Letno poročilo 2008

Transcription

Letno poročilo 2008

Poro~ilo o delu 2008
Annual report 2008
1
POROÎLO O DELU 2008 / ANNUAL REPORT 2008
Zaloìl / Published by: Kemijski in{titut Ljubljana, Hajdrihova 19, SI-1001 Ljubljana
Uredili / Edited by: Brigita Pirc, Lucija Kramberger (bibliografija / bibliography)
Fotografije / Photo: Arhiv Kemijskega in{tituta / Archive of the National Institute of Chemistry
Oblikovanje ovitka / Design: Infiniti d.o.o., Ljubljana
Tisk / Printed by: Tiskarna Littera picta d.o.o.
Ljubljana, 2009
2
Kazalo
Kazalo
Beseda direktorja .................................................................................................................... 5
Poslanstvo Kemijskega in{tituta ............................................................................................... 7
Organizacijska shema ............................................................................................................. 8
Vodstvo in{tituta .................................................................................................................. 11
Finance ................................................................................................................................. 12
Prihodki Kemijskega in{tituta ................................................................................................ 14
Zaposleni .............................................................................................................................. 15
Doktorati, magisteriji in diplome v letu 2008 ........................................................................ 16
Objave v letu 2008 ............................................................................................................... 18
Mednarodno sodelovanje ..................................................................................................... 21
Nagrade in priznanja podeljena sodelavcem in{tituta v letu 2008 .......................................... 23
Zaposleni v splo{nem sektorju .............................................................................................. 27
Laboratorij za molekularno modeliranje in NMR spektroskopijo ............................................. 29
Laboratorij za spektroskopijo materialov ............................................................................... 45
Laboratorij za kemometrijo ................................................................................................... 55
Laboratorij za analizno kemijo .............................................................................................. 71
Laboratorij za kemijo, biologijo in tehnologijo vod ................................................................ 85
Laboratorij za prehrambeno kemijo ...................................................................................... 95
Laboratorij za polimerno kemijo in tehnologijo ................................................................... 105
Laboratorij za organsko sintezo in kemijo zdravil ................................................................. 117
Laboratorij za anorgansko kemijo in tehnologijo ................................................................. 121
Laboratorij za elektrokemijo materialov ............................................................................... 131
Laboratorij za biosintezo in biotransformacijo ..................................................................... 141
Laboratorij za biotehnologijo .............................................................................................. 151
Laboratorij za katalizo in reakcijsko inènirstvo ................................................................... 165
Laboratorij za procesno inènirstvo .................................................................................... 173
Nacionalni center za NMR spektroskopijo visoke lo~ljivosti - lokacija KI ............................... 181
Center za validacijske tehnologije in analitiko (CVTA) .......................................................... 191
Izbrana bibliografija v letu 2008 ......................................................................................... 195
3
Index
Index
Word of the Director .............................................................................................................. 5
The Mission of the National Institute of Chemistry .................................................................. 7
Organisation Chart ................................................................................................................. 9
Institute Management .......................................................................................................... 11
Finances ............................................................................................................................... 13
Revenues of the National Institute of Chemistry .................................................................... 14
Personnel .............................................................................................................................. 15
Doctoral, Master’s and Graduate Theses ............................................................................... 16
Published Works in Year 2008 ............................................................................................... 18
International Cooperation ..................................................................................................... 21
Awards amd Recognition 2008 ............................................................................................ 23
General Sector - Employees .................................................................................................. 27
Laboratory for Molecular Modelling and NMR Spectroscopy ................................................. 29
Laboratory for Spectroscopy of Materials .............................................................................. 45
Laboratory of Chemometrics ................................................................................................. 55
Analytical Chemistry Laboratory ............................................................................................ 71
Laboratory for Chemistry, Biology and Technology of Water .................................................. 85
Laboratory for Food Chemistry .............................................................................................. 95
Laboratory for Polymer Chemistry and Technology .............................................................. 105
Laboratory for Organic and Medicinal Chemistry ................................................................. 117
Laboratory for Inorganic Chemistry and Technology ............................................................ 121
Laboratory for Materials Electrochemistry ........................................................................... 131
Laboratory for Biosynthesis and Biotransformation .............................................................. 141
Laboratory of Biotechnology ............................................................................................... 151
Laboratory for Catalysis and Chemical Reaction Engineering ............................................... 165
Laboratory for Chemical Process Engineering ...................................................................... 173
National Centre for High Resolution NMR Spectroscopy - Location NIC ............................... 181
Centre for Validation Technologies and Analytics (CVTA) ..................................................... 191
Selected Bibliography in Year 2008 ..................................................................................... 195
4
Beseda direktorja
Word of the Director
Beseda direktorja
Spo{tovane kolegice, kolegi, vsi tisti, ki z
zanimanjem spremljate Kemijski in{titut,
Pred vami je letno poro~ilo za leto 2008. Kot
doslej, je tudi to poro~ilo po stilu leksikografsko.
V njem so zajeti vsi bistveni podatki o in{titutu,
predstavljeni so najve~ji dose`ki posameznih
oddelkov.
Leto 2008 je bilo za Kemijski in{titut pestro.
Rezultate na raziskovalno razvojnem podro~ju
je neprimerno predal~kati po letih, pa vendar
lahko re~emo, da je bila ravno v letu 2008 ètev
zelo obilna. Na{im raziskovalcem pod vodstvom
prof. dr. Romana Jerale je uspelo odkriti drugo
vezavno mesto za RNA v TL3, kar je omogo~ilo
objavo v tako presti`ni reviji kot je Nature Structural and Molecular Biology.
Pri prenosu znanja v gospodarstvo je potrebno
posebej izpostaviti tehnologijo uteko~injanja
lesnih odpadkov, ki jo je s sodelavci razvil dr.
Matja` Kunaver, tako zaradi obse`nosti
projekta, kot tudi zaradi aktualnosti teme in
hitrega tempa pri prenosu znanja.
Na{e raziskovalke in raziskovalci so tudi izvrstni
mentorji. O tem pri~ajo mnoga priznanja, ki so
jih v prej{njem letu prejeli njihovi varovanci.
Dear Colleagues and all those of you interested
in following the activities of the National Institute of Chemistry,
In front of you is the Annual Report of the National Institute of Chemistry for 2008. As always, the report is in the lexicographical form.
It contains all of the basic data regarding the
Institute, as well as the most important achievements of particular departments.
For National Institute of Chemistry, 2008 was
characterized by variety. While research and
development results cannot really be divided up
by years, we can proudly say that the »harvest«
for 2008 was very solid. Under the leadership
of Dr. Roman Jerala, our researchers succeeded
in discovering the second binding site for RNA
in TL3, which resulted in the publication of their
work in the prestigious journal Nature Structural and Molecular Biology.
In terms knowledge transfer to industry, one
must single out the technology of wood waste
liquefaction developed by Dr. Matja` Kunaver
and collaborators. Special mention is due both
for the scope of the project, as well as for the
cutting edge topic and its fast rate of knowledge transfer.
5
Beseda direktorja
V letu 2008 so bile è tradicionalno podeljene
presti`ne Preglove nagrade Kemijskega in{tituta.
Veseli smo, da je prejemnik Velike Preglove
nagrade, prof. dr. Boris Orel, na{ sodelavec. Prof.
Orel je nagrado prejel za izjemne dose`ke na
podro~ju funkcionalizacije povr{in. Primer so
premazi za son~ne sprejemnike, ki omogo~ajo,
da se ob de`ju povr{ina sprejemnika sama
»o~isti« ter bomba`ne tkanine, ki odbijajo vodo
in olja.
V preteklem letu se je od in{tituta poslovil vodja
Centra za validacijske tehnologije in analitiko,
dr. Janko @mitek. Hvala dr. @mitku za utiranje
novih oblik sodelovanja z industrijo. Veliko
uspeha zaèlimo novi (zaenkrat {e za~asni)
vodji, dr. Alenki Wondra Golc.
V aprilu je prof. dr. Miran Gaber{~ek prevzel
vodenje Laboratorija za elektrokemijo materialov. Tudi prof. Gaber{~ku, ve~letnemu
sodelavcu laboratorija, èlimo sre~no roko pri
nadaljnjih raziskavah.
Prav tako v aprilu 2008 je potekel mandat
prej{njemu direktorju, dr. Petru Venturiniju.
Gotovo so rezultati leta 2008 v veliki meri
zasluga njegovega vodenja in postavljanja
kretnic v preteklih letih. Za vloèni trud se mu
zahvaljujemo in èlimo ~im ve~ uspehov v
bodo~i karieri.
Ob koncu se èlim zahvaliti prav vsem sodelavkam in sodelavcem Kemijskega in{tituta, ki
so vsak na svoj na~in pripomogli k rezultatom,
zbranim v tem poro~ilu, ter vsem na{im
partnerjem za odli~no sodelovanje.
Prof. dr. Janko Jamnik
Direktor
Our researchers have also been excellent mentors. Proof can be found in the many awards
and recognitions received by their students in
2008.
The now traditional prestigious Pregl Prizes of
the National Institute of Chemistry were also
awarded in 2008. We are pleased to announce
that the recipient of the Grand Pregl Prize was
our colleague Prof. Dr. Boris Orel. Professor Orel
received the prize for his exceptional achievements in the field of surface functionalization.
Some examples of his work are the use of coatings for solar collectors, which allows the surface of the collector to self-clean when it rains,
and cotton fabrics that repel water and oil.
In the past year, Dr. Janko @mitek, head of the
Centre for Validation Technologies and
Analytics, left the Institute. Many thanks to Dr.
@mitek for his development of new forms of
cooperation with industry. We wish his successor as head (although still temporary), Dr.
Alenka Wondra Golc, success in her work.
In April, Prof. Miran Gaber{~ek took over the
leadership of the Laboratory for Materials
Electrochemistry. We would also like to wish
Prof. Gaber{~ek, a long-term collaborator of the
laboratory, the best of luck in his future research.
Also in April 2008, the mandate of the previous director of the National Institute of Chemistry, Dr. Peter Venturini, ended. The results
achieved in 2008 are undoubtedly due in large
measure to his leadership and setting of directions in previous years. We would like to thank
him for all of his hard work and wish him the
best of successes in his future career.
Finally, I would like to thank all the people who
work at the National Institute of Chemistry, who
each contributed in their own way to the results presented in this report, as well as all of
our partners outside of the Institute for their
excellent cooperation.
Professor Janko Jamnik, PhD
Director
6
Poslanstvo Kemijskega in{tituta
The Mission of the National Institute of Chemistry
Poslanstvo Kemijskega in{tituta
The Mission of the National Institute of Chemistry
- Kemijski in{titut je v Sloveniji vodilna in v svetu
prepoznavna raziskovalna organizacija na
podro~ju kemije in sorodnih disciplin.
- Z raziskovalnim delom in moderno infrastrukturo zagotavlja vrhunske znanstveno raziskovalne dose`ke, vzgojo kadrov in prenos
novih znanj v gospodarstvo.
- Kemijski in{titut s svojim delom pomembno
prispeva h gospodarskemu napredku in
izbolj{anju kakovosti ìvljenja v Sloveniji.
- The National Institute of Chemistry is
Slovenian leading and worldwide known research institution in the field of chemistry and
related disciplines.
- Performed research and modern infrastructure enables top-level scientific research
achievments, nurturing new human potentials and transferring knowledge into the
economy.
- The results of National Institute of Chemistry
substantially contribute to the economic
growth and improvement of quality of life in
Slovenia.
7
Organizacijska shema
Organisation Chart
8
Organisation Chart
Organisation Chart
9
Letno poro~ilo 2008
Annual report 2008
10
Vodstvo in{tituta
Institute Management
Vodstvo in{tituta
Institute Management
VODSTVO / MANAGEMENT
- Direktorja / Directors
doc. dr. Peter VENTURINI (do / till 18.4.2008)
prof. dr. Janko JAMNIK (od / since 19.4.2008)
- Pomo~nici direktorja /
Assistant directors
mag. Renata VUGA
Joì Ê[NOVAR (v.d. pomo~nice direktorja /
Acting assistant director)
- Svetovalec direktorja /
Councellor to the director
doc. dr. Janko @MITEK (do / till 31.8.2008)
^LANI UPRAVNEGA ODBORA /
BOARD OF GOVERNORS
- dr. Matej Penca, predsednik / president
- prof. dr. Janez Plavec, podpredsednik / vicepresident
- dr. Gregor Gomi{~ek
- prof. dr. Roman Jerala
- prof. dr. Tamara Lah (do / till 15.10.2008)
- akademik prof. dr. Janez Levec (od / since
16.10.2008)
- dr. Brina Ornik
- mag. Bogo [est
- prof. dr. Toma` [olmajer
- doc. dr. Ale{ [trancar
^LANI ZNANSTVENEGA SVETA /
SCIENTIFIC COUNCIL
- prof. dr. Janko Jamnik, predsednik / president
(do / till 18.4.2008)
- prof. dr. Albin Pintar, predsednik / president
(od / since 17.7.2008)
- prof. dr. Ven~eslav Kau~i~, podpredsednik /
vice-president
- dr. Franc Avbelj
- prof. dr. Branko Bor{tnik
- prof. dr. Miran Gaber{~ek (od / since
12.6.2008)
- prof. dr. Roman Jerala
- prof. dr. Janez Plavec
- prof. dr. Milenko Ro{
- izr. prof. dr. Majda @igon
- doc. dr. Peter Venturini, direktor - ~lan po
funkciji / member by function (do / till
18.4.2008)
- prof. dr. Janko Jamnik, direktor - ~lan po
funkciji / member by function (od / since
19.4.2008)
ÂSTNI ^LANI / HONORARY MEMBERS
- prof. dr. Igor BELI^, 19. 12. 1986
- dr. Marta BLINC, 19. 12. 1986
- prof. dr. Bojan DR@AJ, 19. 12. 1986
- dr. Joè FEGE[, 19. 12. 1986
- prof. dr. Vera JOHANIDES, 19. 12. 1986
- prof. dr. Roman MODIC, 19. 12. 1986
- prof. dr. Tihomir NOVAKOV, 19. 12. 1986
- prof. dr. Robert LAFFERTY, 15. 6. 1994
- prof. dr. Walter STEINER, 15. 6. 1994
- prof. dr. D. Luc MASSART, 8. 3. 1995
- prof. dr. John R. HELLIWELL, 21. 10. 1996
- prof. dr. Joachim MAIER, 17. 4. 1996
- prof. dr. Du{an HAD@I, 9. 10. 2001
- prof. dr. Joseph WANG, 15. 6. 2007
- prof. dr. Milan RANDI], 27. 9. 2007
11
Finance
Finances
Finance
12
Finance
Finances
Finances
13
Finance
Finances
Prihodki Kemijskega in{tituta
Revenues of the National Institute of Chemistry
SLIKA
Prihodki Kemijskega in{tituta v mio EUR.
14
FIGURE
Revenues of the National Institute of Chemistry in
million euros.
Zaposleni
Personnel
Zaposleni
Personnel
Na dan 31. 12. 2008 je bilo na Kemijskem
in{titutu 263 zaposlenih, od tega 111 doktorjev
znanosti, 6 magistrov, 104 z visoko izobrazbo,
11 z vi{jo izobrazbo, 22 s srednjo in 9 z ni`jo
izobrazbo. [tevilo zaposlenih se je glede na
predhodno leto pove~alo za 2,7%, predvsem
na ra~un uspe{nih prijav na razpis za mlade
raziskovalce.
On December 31, 2008, we have recorded 263
employees with the following degree of
education: Ph.D. (111), Master degree (6),
Bachelor degree (104), Associate degree (11),
secondary school (22) and less than secondary
school (9). Compared to the previous year the
number of employees rose by 2,7%,mainly due
to a number of successful applications for the
“Young Researcher” tender.
SLIKA
FIGURE
Izobrazbena struktura zaposlenih na Kemijskem
in{titutu v letu 2008.
Employees level of education at the National Institute of Chemistry in 2008.
15
Doktorati, magisteriji in diplome v letu 2008
Doctoral, Master’s and Graduate Theses in Year 2008
DOKTORATI / DOCTORAL THESES
Jemec Anita 27.3.2008
Peternel [pela 1.9.2008
Iva Hafner Bratkovi~ 31.3.2008
Va{l Joìca 26.8.2008
Kurbus Tanja 24.4.2008
Gri~ar Maja 16.10.2008
Cevec Mirko 8.5.2008
Zorko Mateja 29.9.2008
Urbi~ Tja{a 16.5.2008
Mazaj Matja` 22.10.2008
Konc Janez 21.5.2008
[olar Tina 24.10.2008
[terk Damjan 4.7.2008
Slavec Marija 17.10.2008
Japelj Bo{tjan 28. 10. 2008
SLIKA
Doktorati, magisteriji in diplome v letih
2000 / 2008.
16
FIGURE
Ph.D., M.Sc., and B.Sc. theses in years
2000 / 2008.
[TEVILO DIPLOM, MAGISTERIJEV, DOKTORATOV, MENTORSTEV IN KOMENTORSTEV S
STRANI ZAPOSLENIH NA KEMIJSKEM IN[TITUTU
NUMBER OF B. Sc., M. Sc., Ph. D. THESES, MENTORSHIPS AND COMENTORSHIPS BY
EMPLOYEES OF NATIONAL INSTITUTE OF CHEMISTRY
1
14
12
5
14
18
1
1
magisterij / Master’s Thesis
doktoratov / Doctoral Theses
mentorstev pri diplomah / Mentorships of Undergraduate Theses
mentorstev pri magisterijih / Mentorships of Master’s Theses
mentorstev pri doktoratih / Mentorships of Doctoral Theses
komentorstev pri diplomah / Comentorships of Undergraduate Theses
komentorstvo pri magisteriju / Comentorship of Master’s Thesis
komentorstvo pri doktoratu / Comentorship of Doctoral Thesis
17
Objave v letu 2008
Published Works in Year 2008
Objave v letu 2008
SLIKA
FIGURE
Objavljena dela (~lanki, knjige, poglavja, patenti) v Published works (papers, books, chapters, patents)
letih 2000 / 2008.
in years 2000 / 2008.
18
ANALYTICAL DATA (typology COBISS /
laboratories)
Institute bibliography for 2008
ANALIT^NI PODATKI (tipologija COBISS /
laboratoriji)
Bibliografija in{tituta v letu 2008
Objave v letu 2008
19
Letno poro~ilo 2008
Annual report 2008
20
Mednarodno sodelovanje
International Cooperation
Mednarodno sodelovanje
International Cooperation
21
Letno poro~ilo 2008
Annual report 2008
22
Nagrade podeljene sodelavcem in{tituta v letu 2007
Awards Given To Collaborators with the Institute in 2007
Nagrade in priznanja podeljena sodelavcem
in{tituta v letu 2008
Awards and Recognition of Collaborators of the
National Institute of Chemistry in 2008
Veliko Preglovo nagrado Kemijskega
in{tituta za raziskovalno delo je prejel prof.
dr. Boris Orel, 19. 6. 2008.
The Grand Pregl Award of the National
Institute of Chemistry for Research Work
was awarded to Prof. Dr. Boris Orel, June 19th
2008.
Ministrica za visoko {olstvo, znanost in tehnologijo
Minister for Higher Education, Science and Techno-
Mojca Kucler Dolinar izro~a Veliko Preglovo nagrado
prof. dr. Borisu Orlu.
logy Mojca Kucler Dolinar awards the Grand Pregl
Award to Professor Boris Orel.
23
Preglovo nagrado Kemijskega in{tituta za
izjemno doktorsko delo na podro~ju
kemije in sorodnih ved sta 3. 12. 2008
prejela:
- dr. Urban Bren (Laboratorij za molekularno
modeliranje in NMR spektroskopijo): “Ra~unalni{ke simulacije proste energije pri
obravnavi stabilnosti in reaktivnosti DNA”;
mentor: doc. dr. Janez Mavri, somentor: prof.
dr. Joè Koller in
The Pregl Award of the National Institute
of Chemistry for outstanding doctoral
work in the field of chemistry and related
sciences was awarded to:
- Dr. Urban Bren (Laboratory for Molecular
Modeling and NMR Spectroscopy): “FreeEnergy Computer Simulations of DNA
Stability and Reactivity”; mentors: Dr. Janez
Mavri, Assist. Prof., comentor: Prof. Dr. Joè
Koller and
- dr. Du{an Strm~nik (Laboratorij za elektrokemijo materialov): “Aktivna mesta za reakcije
v PEM gorivnih celicah v modelnih in realnih
sistemih”; mentorja: doc. dr. Miran Gaber{~ek
in dr. Nenad M. Markovi}.
- Dr. Du{an Strm~nik (Laboratory for
Materials Electrochemistry): “Active sites for
PEM fuel cell reactions in model and real
systems”; mentors: Prof. Dr. Miran Gaber{~ek
and Dr. Nenad M. Markovi}.
(December 3rd, 2008.)
Prof. dr. Radovan Komel (vodja Laboratorija
za biosintezo in biotransformacijo) je ob
obeleènju 25. obletnice delovanja Slovenskega
biokemijskega dru{tva, 12. 11. 2008, prejel prvo
Lapanjetovo nagrado.
Dr. Urban Bren iz Laboratorija za molekularno
modeliranje in NMR spektroskopijo je 3. 12.
2008 prejel nagrado Maksa Samca za
doktorsko disertacijo s podro~ja kemije:
“Ra~unalni{ke simulacije proste energije pri
obravnavi stabilnosti in reaktivnosti DNA”;
mentor: doc. dr. Janez Mavri, somentor: prof.
dr. Joè Koller.
Sodelavci Laboratorija za biotehnologijo, prof.
Roman Jerala, dr. Mojca Ben~ina, Monika
Cigli~, Karolina Ivi~ak in Nina Pirher so bili,
skupaj s prof. Simonom Horvatom z Biotehni{ke
fakultete Univerze v Ljubljani, mentorji ekipi
{tudentov Univerze v Ljubljani, ki se je na
mednarodnem tekmovanju raziskovalnih
projektov (iGEM) na presti`ni univerzi MIT v
Cambridge-u, ZDA, uvrstila v finale, osvojila
prvo mesto v generalni razvrstitvi (Grand
Prize) in dosegla tudi prvo mesto na
podro~ju zdravja in medicine ter zlato
medaljo (9. 11. 2008).
24
At 25th anniversary of the Slovenian Biochemical
Society Prof. Dr. Radovan Komel was
awarded with a special award named after Prof.
Dr. Savo Lapanje (November 12th 2008).
Dr. Urban Bren (Laboratory for Molecular
Modeling and NMR Spectroscopy): received the
Maks Samec Award for doctoral work in
the field of chemistry: “Free-Energy Computer Simulations of DNA Stability and Reactivity”;
mentors: Dr. Janez Mavri, Assist. Prof., comentor: Prof. Dr. Joè Koller (December 3rd 2008).
Members of the Laboratory of Biotechnology,
Prof. Roman Jerala, Dr. Mojca Ben~ina,
Monika Cigli~, Karolina Ivi~ak and Nina
Pirher were, together with Prof. Simon Horvat
from the Biotechnical Faculty, University of
Ljubljana, mentors of a student team of
University of Ljubljana, which participated in an
international competition of research
projects iGEM at the MIT in Cambridge, USA,
won Grand Prize in the general ranking
and golden medal for the first place in the
field of Health and Medicine (November 9th
2008).
Zmagovalna ekipa {tudentov ljubljanske univerze
skupaj z mentorji, pred Massachusetts Institute of
Technology, Cambridge, ZDA
The winning team of students with their mentors in
front of the Massachusetts Institute of Technology,
Cambridge, USA
Prof. dr. Roman Jerala, dr. Mojca Ben~ina,
dr. Mateja Man~ek – Keber, Gabriela Panter
in Karolina Ivi~ak (mentorji iz Laboratorija za
biotehnologijo) so prejeli nagrado SOVA za
visoko{olsko didaktiko, ki jo podeljuje
Slovensko dru{tvo za visoko{olsko didaktiko; 4.
3. 2008.
Prof. Roman Jerala, Dr. Mojca Ben~ina,
Dr. Mateja Man~ek – Keber, Gabriela
Panter and Karolina Ivi~ak won the Prize
SOVA for higher education didactics,
awarded by the Slovenian Society for Didactics
in Higher Education (March 4th 2008).
Mlada raziskovalka Ljerka Lah (Laboratorij za
biosintezo in biotransformacijo), je zmagala na
mednarodnem tekmovanju priprave najbolj{ega
poslovnega na~rta, kako prenesti akademska
biotehnolo{ka odkritja v industrijo. Premagala
je konkurenco 45. izbranih {tudentov z vodilnih
evropskih univerz. (Novartisov BioCamp; v Baslu,
[vici, 28.-30. 8. 2008).
The young researcher Ljerka Lah (Laboratory
for biosynthesis and biotransformation) was
the winner of international competition in
preparing the best business plan on how to
transfer academic biotechnology discoveries
to industry. She emerged best from among
45 selected students from leading European
universities. (Novartis, Biocamp, Basel,
Switzerland, 28-30. Aug. 2008).
Prof. dr. Miran Gaber{~ek in sodelavci iz
Laboratorija za elektrokemijo materialov so
prejeli nagrado “2Most Excellent Paper” na
najve~jem baterijskem simpoziju “14th Inter-
At the biggest battery conference “14 th
International Meeting on Lithium Batteries«,
Tianjin, China, 2008 (more than 1000
participant), Miran Gaber{~ek et al.
25
national Meeting on Lithium Batteries«, Tianjin,
Kitajska, 2008 (preko 1000 udeleèncev).
received an award for the »Most Excellent
Paper”.
Nina Pirher, mlada raziskovalka Laboratorija
za biotehnologijo, je prejela nagrado revije
Nature Reviews Immunology za najbolj{i
poster na znanstveni konferenci o naravni
imunosti (Lizbona, Portugalska, 20. 10. 2008).
Young researcher of the Laboratory of Biotechnology, Nina Pirher, won the best poster prize
at the scientific conference on innate immunity,
which was awarded together with one year
subscription by the journal Nature Reviews
Immunology (Lisboa, Portugal, October 20th
2008).
38. Krkine nagrade 2008; Novo mesto, 17.
10. 2008
Krkine nagrade za posebne dose`ke na podro~ju
raziskovalnega dela:
- dr. Damjan [terk: “Novi kiralni ligandi za
asimetri~ne redukcije”; mentor: prof. dr. Boris
[ket, somentorica: dr. Barbara Mohar.
Krkine nagrade:
- dr. Iva Hafner Bratkovi~: “Vpliv strukturnih
sprememb prionskega proteina na infektivnost in vezavo specifi~nih reagentov”;
mentor: prof. dr. Roman Jerala
- Marko Trajkovski: “[tudij interakcij kationov
z DNA aptamerom trombina”; mentor: dr.
Primo` [ket, somentor: prof. dr. Janez Plavec
- dr. Mateja Zorko: “Nevtralizacija endotoksina z novimi antimikrobnimi u~inkovinami”, mentor: dr. Primo` Pristov{ek.
Pre{ernove nagrade {tudentom; december
2008
- Ana Krofli~: “Preu~evanje fizikalno-kemijskih
lastnosti polimorfnih oblik klaritromicina”,
diplomsko delo; mentor: dr. Marjan Bele
- Alja Oblak: ”Vpliv zamenjave aminokislin 82,
85 in 87 na aktivnost proteina MD-2”,
diplomsko delo; mentor: prof. dr. Gregor
Anderluh, somentor: prof. dr. Roman Jerala
- Ota Fekonja: “Vpliv dimerizacije domen Toll/
interleukin-1 receptorjev na signalizacijo Tollu
podobnih receptorjev”, diplomsko delo;
mentor: prof. dr. Gregor Anderluh, somentor:
prof. dr. Roman Jerala.
26
38. Krka Prize 2008; Novo mesto, October
17th 2008
Krka Prizes for Special Achievements in
Research:
- Dr. Damjan [terk, “New chiral ligands for
asymmetric reductions”, mentor: Prof. Dr.
Boris [ket, comentor: Dr. Barbara Mohar.
Krka Prize:
- Dr. Iva Hafner Bratkovi~: “Influence of
prion protein atructural change on infectivity
and binding of specific reagents”, mentor:
Prof. Dr. Roman Jerala
- Marko Trajkovski: “Studies of cationa
interactions with DNA aptamer of thrombin”,
mentor: Dr. Primo` [ket, comentor: Prof. Dr.
Janez Plavec
- Dr. Mateja Zorko: “Neutralization of
endotoxin by novel antimicrobial substances”, mentor: Dr. Primo` Pristov{ek.
The Pre{eren Prize to students; December
2008
- Ana Krofli~: “Physicochemical properties of
polymorphic forms of clarithromycin”,
graduation thesis; mentor: Dr. Marjan Bele
- Alja Oblak: “The effect of mutations of
amino acid residues 82, 85 and 87 on the
activity of MD-2”, graduation thesis; mentor:
Prof. Dr. Gregor Anderluh, comentor: Prof.
Dr. Roman Jerala
- Ota Fekonja: “The effect of Toll/interleukin1 receptor domain dimerization on Toll-like
receptor signaling”, graduation thesis;
mentor: Prof. Dr. Gregor Anderluh, comentor:
Prof. Dr. Roman Jerala.
Splo{ni sektor
General Sector
Zaposleni v splo{nem sektorju
General Sector - Employees
UPRAVA / ADMINISTRATION
Babnik Izidor
Dobnikar Francka
Husi} Muharem
Merzel Marija
Petrov~i~ Vida
Zupan~i~ Andreja
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Jezernik Ma{a
Svetic Tanja
Mrak Velesa
TEHNI^NE DELAVNICE /
TECHNICAL SERVICES
Vidmar Robert
Ambro` Toni
Babnik Gregor
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RAÛNOVODSTVO, PLAN IN
ANALIZE / ACCOUNTING, PLANNING AND
ANALYSES
Dori} Barbara
Goren{ek Vedrana
Miri~ Maja
Oblak Irena
Pintari~ Janja
Skok Zlatka
Skumavc Meta
Stritih Radovan
Volov{ek Tanja
KNJI@NICA / LIBRARY
Kramberger Lucija
Grah Lilijana
[TIPENDIJE / SCOLARSHIPS
Grilc Miha
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27
Splo{ni sektor
General sector
28
Laboratorij za molekularno modeliranje in NMR spektroskopijo
Laboratory for Molecular Modelling and NMR Spectroscopy
L01
Laboratorij za molekularno modeliranje
in NMR spektroskopijo
Laboratory for Molecular Modelling and
NMR Spectroscopy
dr. Ksenija Poljanec
doc. dr. Matej Praprotnik
dr. Danilo Pumpernik
dr. Jernej Stare
prof. dr. Toma` [olmajer
dr. Tja{a Urbi~
VODJA / HEAD
prof. dr. Branko Bor{tnik
RAZISKOVALCI / RESEARCHERS
dr. Franc Avbelj
dr. Urban Bor{tnik
dr. Urban Bren
doc. dr. Simona Goli~ Grdadolnik
doc. dr. Joè Grdadolnik
akad. prof. dr. Du{an Hadì
dr. Milan Hodo{~ek
prof. dr. Du{anka Janeì~
dr. Janez Konc
doc. dr. Janez Mavri
doc. dr. Franci Merzel
dr. Gregor Mlin{ek
dr. Matej Penca
MLADI RAZISKOVALCI / YOUNG RESEARCHERS
Rok Bor{tnar
Matja` Brvar
Nejc Carl
Martina Glu{i~
Borut Tone Oblak
Andrej Perdih
Gordana Pirc
Mihael Sim~i~
Jernej Zidar
TEHNI^NO OSEBJE / TECHNICAL STAFF
Silva Zagorc
PRIPRAVNIKI/TRAINEES
Bla` Vehar
29
PODRO^JA DEJAVNOSTI
Raziskovalni program P1-0012
(B. Bor{tnik)
Molekulske simulacije in bioinformatika
- Simulacija encimske katalize
- Kvantno kemijski izra~uni strukturnih in elektronskih parametrov molekul in supramolekularnih sistemov
- [tudij dinamike tvorbe in razpada medmolekulskih vezi in dinamike reakcij prenosa atoma (atom-transfer reactions)
- Simulacija protonske dinamike in prenosa
protona v hidratiranih in vodikovo vezanih
sistemih z metodami klasi~ne in kvantne
molekularne dinamike
- Prou~evanje strukture in katalitske aktivnosti
titanosilikalitnih zeolitnih materialov
- [tudij endogene karcinogeneze
- Bioinformatika in {tudij biolo{ke evolucije na
molekularni osnovi.
- Statisti~na mehanika
- Z metodo racionalnega na~rtovanja novih
zdravilnih u~inkovin na osnovi strukture re-
30
RESEARCH ACTIVITIES
Research program P1-0012 (B. Bor{tnik)
Molecular simulations and bioinformatics
- Quantum chemical calculations of structural
and electronic parameters of molecules and
supramolecular systems
- Studies of dynamics of formation and decay
of intermolecular bonds atom-transfer reactions
- Simulation of proton dynamics and proton
transfer reactions in hydrated and hydrogenbonded systems using the methods of classical and quantum molecular simulations
- Studies of structure and catalytic activity of
titanosilicalite zeolites
- Study of endogeneous cancerogenesis
- Bioinformatics and study of biological evolution
- Statistical mechanics
- Structure-based drug design approach is used
for mechanistic studies of enzyme inhibition
and design of novel bioactive compounds
ceptorja prou~ujemo mehanizem inhibicije
encimov in na~rtujemo nove, potencialno
biolo{ko aktivne spojine
Raziskovalni projekt J1-0308 (T. [olmajer)
Strukturno podprto na~rtovanje novih
inhibitorjev DNA giraz
Raziskovalni projekt Z1-9779 (J. Stare)
Razvoj in optimizacija zeolitnih katalizatorjev
z metodami molekulskega modeliranja
Raziskovalni program P1-0010 (F. Avbelj)
Folding in dinamika biomolekularnih sistemov
- Raziskave strukture in dinamike biomolekularnih sistemov (proteinov, ligandov, membran in njihovih kompleksov) z jedrsko magnetno resonanco, vibracijsko spektroskopijo
in z ra~unalni{kimi simulacijami (Monte Carlo, molekulska dinamika)
- [tudij elektrostatskih interakcij, vodikovih
vezi, solvatacije (elektrostatsko sen~enje) in
hidrofobnih interakcij v proteinih, v sistemih
ligand-receptor in v sistemih biomolekulamembrana
- [tudij energetike in kinetike zvitja proteinov
- Razvoj algoritmov za napovedovanje sekun–
darnih in tridimenzionalnih struktur proteinov (problem zvitja proteinov ‘protein folding problem’, strukturna genomika)
- Konformacijske {tudije novih u~inkovin v povezavi z njihovim biolo{kim u~inkom
- Razvoj metod vibracijske spektroskopije
(ra~unanje opti~nih konstant iz refleksijskih
in ATR spektrov)
- [tudij vodikovih vezi z eksperimentalnimi in
teoretskimi metodami
- Razvoj metod jedrske magnetne resonance
za dolo~anje konformacije molekul v teko~ini
- Uporaba vibracijske spektroskopije in jedrske
magnetne resonance v analizne namene
Research project J1-0308 (T. [olmajer)
Structure based design of novel inhibitors of
DNA gyrase
Research project Z1-9779 (J. Stare)
Design and Optimization of Zeolite Catalysts
by Molecular Modeling Methods
Research program P1-0010 (F. Avbelj)
Protein folding and dynamics of biomolecular
systems
- Studies of structure and dynamics of biomolecular systems (proteins, ligands, membranes, and related complexes) using nuclear magnetic resonance, vibrational spectroscopy, and computer simulations (Monte Carlo, molecular dynamics)
- Studies of electrostatic interactions, hydrogen bonds, solvation (electrostatic screening),
and hydrophobic interactions in proteins, ligand-receptor and ligand-membrane complexes
- Studies of energetics and kinetics of the protein folding process
- Development of algorithms for predicting
secondary and three-dimensional structure
of proteins (protein folding problem, structural genomics)
- Conformational studies of novel drugs in relation with their biological activity
- Development of new methods for vibrational spectroscopy (calculation of optical constants)
- Studies of hydrogen bonding using experimental and theoretical methods
- Development of new methods for conformational studies of molecules by the high-resolution nuclear magnetic resonance spectroscopy
- Application of nuclear magnetic resonance
spectroscopy and vibrational spectroscopy in
chemical analysis
31
Raziskovalni program P1-0002:
(Dr. Du{anka Janeì~)
Ra~unalni{ko modeliranje strukture in
dinamike molekul
Research program P1-0002: (Dr.Du{anka
Janeì~)
Computer simulation of molecular structure and
dynamics
Raziskovalna projekta:
J1-6331: (Dr. Du{anka Janeì~)
Razvoj ra~unalni{kih algoritmov za simulacije
makromolekularnih sistemov
Research projects:
J1-6331: (Dr. Du{anka Janeì~)
Computer Algorithms Development for Macromolecular Simulation
J1-9804: (Dr. Franci Merzel)
Ra~unalni{ke simulacije in analiza kolektivnih
gibanj biomolekul
Razvoj in uporaba metod za molekularno modeliranje:
- Simplekti~ne metode za simulacijo molekulske dinamike makromolekul
J1-9804: (Dr. Franci Merzel)
Computer simulations and analysis of collective motions of biomolecules
- Kombinacije metod simulacije molekulske
dinamike, analize po normalnih na~inih nihanja in kvaziharmonske analize proteinov v
raztopinah za {tudij hidratacije proteinov
Development and application of methods for
molecular modeling:
- Symplectic methods for molecular dynamics
simulations of macromolecules
- Razvoj in uporaba QM/MM metod
- Combination of molecular dynamics methods, normal mode vibrational analysis, and
quasiharmonic analysis of proteins in solutions for studying protein hydration
SLIKA 1:
http://charmming.org
FIGURE 1:
http://charmming.org
32
- Razvoj ra~unsko u~inkovitih metod za
dolo~anje ~asovno odvisne elektronske strukture molekul na osnovi Kohn-Sham-ove formulacije teorije gostotnih funkcionalov
- Razvoj in aplikacija kvantno kemijskih in
klasi~nih pristopov za izra~un reakcijskih mehanizmov, predvsem za izra~un ionskih reakcij izocianidov
- Razvoj novih in u~inkovitih ra~unalni{kih
topologij za povezovanje osebnih ra~unalnikov v ra~unske gru~e
BIBLIOGRAFIJA
27 izvirnih znanstvenih ~lankov
1 pregledni znanstveni ~lanek
2 polemiki, diskusijska prispevka
1 drugo u~no gradivo
3 objavljeni znanstveni prispevki na konferencah
36 objavljenih povzetkov znanstvenih prispevkov na konferencah
1 objavljeni povzetek strokovnega prispevka
na konferenci
2 patentni prijavi
8 predavanj na tujih univerzah
4 prispevki na konferencah brez natisa
5 vabljenih predavanj na konferencah brez
natisa
1 kon~no poro~ilo o rezultatih raziskav
2 diplomi
2 doktorata
3 uredni{tva revij
GLAVNI DOSE@KI V LETU 2008
- [tudirali smo konformacijske preference 13
blokiranih aminokislin (dipeptidov) z uporabo
infrarde~e in ramanske spektroskopije.
Uspe{no smo izrabili prednost ~asovne skale,
karakteristi~ne za vibracijsko spektroskopijo,
kar nam omogo~a spremljanje tudi kratkoìvih konformacijskih stanj. Pokazali smo, da
sta frekvenca in notranja struktura amidnega
traku I (razmerje obeh intrinzi~nih komponent) v spektrih vodnih raztopin dipeptidov
odvisni od velikosti dihedralnega kota ϕ. S
prikazano analizo amidnega I traku zato ne
- Development and use of QM/MM methods
- Development of computationally efficient
methods for determining the time-dependent electronic structure of molecules based
on the Kohn-Sham formulation of the density functional theory
- Development and application of quantum
chemical and classical approaches for calculating reaction mechanisms, especially calculating the ionic reactions of isocyanides
- Development of new and effective network
topologies for connecting personal computers into computational clusters
BIBLIOGRAPHY
27 Original Scientific Articles
1 Review Article
2 Polemics, Discussions
1 Other Educational Material
3 Published Scientific Conference Contributions
36 Published Scientific Conference Contribution Abstracts
1 Published Professional Conference Contribution Abstracts
2 Patent Applications
8 Invited Lectures at Foreign Universities
4 Unpublished Conference Contributions
5 Unpublished Invited Conference Lectures
1 Final Research Report
2 Undergraduate Theses
2 Doctoral Dissertations
3 Journal Editorships
IMPORTANT ACHIEVEMENTS IN 2008
- We studied the conformational preferences
of 13 dipeptides using infrared and Raman
spectroscopy. The main advantage of vibrational spectroscopy over NMR is in its much
shorter time-scale, which enables determination of the conformational preferences of
short-lived states. Accuracy of structure determination using vibrational spectroscopy
depends critically on identification of the vibrational parameters that are sensitive to
33
moremo dolo~iti populacij αpkonformacij v
dipeptidih. Na primeru alanin in valin dipeptidov v vodni raztopini smo pokazali, da je
zelo uporabna analiza amidnega traku III v
infrarde~ih spektrih in skeletnih nihanj v ramanskih spektrih. Pokazali smo, da je alanin
dipeptid v vodi prete`no v PPII konformaciji,
preostanek pa je v β konformaciji. V dipeptidu valina je dele` konformacije β pribli`no
enak deleù konformacije PPII. V obeh primerih je dele` αR konformacije majhen. Predstavljeni eksperimentalni podatki povsem ustrezajo napovedim preferen~nih konformacij modela elektrostatskega sen~enja.
- Dinamiko kratkih, mo~nih vodikovih vezi, ki
povezujejo karboksilne skupine z molekulami vode v kristalih dihidrata oksalne kisline
(α-POX), smo raziskovali z ramansko in
infrarde~o spektroskopijo. Za interpretacijo
smo rabili izra~une s programom CRYSTAL06. Najbolj zanimivi so temperaturni u~inki
na obrise vale~nega nihanja O-H, ki se razteza med 2000 cm-1 in 1400 cm-1. Izredno
mo~ne spremembe intenzitet nekaterih komponent tega traku kaèjo na mehanizem
samozajetja polaronske ekscitacije. Prej{nje
meritve temperaturne in frekven~ne odvisnosti ac prevodnosti α-POX-a so bile pripisane
tvorbi polaronov.
changes in conformation. We show that the
frequencies of Amide I band and the A12 ratio of Amide I components of dipeptides correlate with the 3J(HN, Hα). These two IR vibrational parameters are thus, analogous to
3
J(HN, Hα), indicators for the preference for
the dihedral angle ϕ. We also show that the
intensities of the components of the Amide
III bands in IR spectra and the intensities of
the skeletal vibrations in Raman spectra are
indicators of populations of the PII, β, and αR
conformations. The results show that alanine
dipeptide adopts predominantly the PII conformation. The population of the β conformation increases in valine dipeptide. The populations of the αR conformation are generally small. These data are in accord with the
electrostatic screening model of conformational preferences.
- The dynamics of short, strong hydrogen bond
connecting the carboxylic group to water
molecules in the crystal of oxalic acid dihydrate (α-POX) has been investigated by Raman and infrared spectroscopy. The assignment of normal modes has been supported
by CRYSTAL06 calculations. Most interesting
are extremely strong temperature effects on
the intensity of the component bands forming the complex envelope of the OH stretching band that appears between 2000 cm-1
SLIKA 2:
FIGURE 2:
(a) podrobnosti vezave spojine 17d v aktivno mesto
MurD ligaze. Fo - Fc residualna mapa je narisana pri
3.0σ (zeleno).
(a) Details of the ligand-binding site in the MurD complex with compound 17d. The Fo - Fc residual map is
contoured at 3.0σ (green).
(b) vezava spojine 17d v aktivno mesto MurD iz E.
coli
(b) Binding mode of compound 17d in the active site
of E. coli MurD.
34
- Zaradi znatnega vpliva kristalne okolice na
lastnosti vodikove vezi smo na{e {tudije strukture in dinamike kratkih vodikovih vezi usmerili predvsem v trdno stanje. Z metodo CarParrinellove molekulske dinamike smo pokazali, da je kratka vodikova vez v kristalini~nem
tetraacetiletanu (TAE) asimetri~na navkljub
intrinzi~ni simetri~nosti molekule TAE. Na
drugem reprezentativnem sistemu, N-oksidu
pikolinske kisline (PANO) v trdnem stanju, pa
smo napravili simulacijo konture {irokega
protonskega traku, ki ga opazimo v vibracijskem spektru spojine, in pokazali, da je {irjenje traku posledica mo~nih sklopitev protonskega gibanja s {tevilnimi inter- in intramolekularnimi prostostnimi stopnjami.
Izra~un konture absoprcije protonskega nihanja v vibracijskem spektru temelji na
dinami~nem vzor~enju protonskega potenciala in predstavlja pomembno novost v
ra~unskem modeliranju molekulskih vibracij.
- Titanosilikalitni katalizator TS-1 je industrijsko
eden najpomembnej{ih zeolitnih materialov.
Vpra{anje lokacije titanovih mest v TS-1 do
danes {e ni bilo zadovoljivo re{eno, prav tako
pa so mehanizmi kataliziranih reakcij slabo
poznani. Napravili smo periodi~no kvantnomehansko {tudijo preferen~ne lokacije titana na razpolo`ljivih 12 kristalografsko neenakih mest. Izra~unane preference se dobro ujemajo z eksperimentalnimi ugotovitvami, pa tudi z nekaterimi prej{njimi, bolj
aproksimativnimi ra~unskimi {tudijami. Zaradi
nizkih energijskih razlik med posameznimi
izomeri ne gre izklju~iti, da je vezava titana v
material odlo~ilno pogojena z entropijskimi
faktorji ali pa je celo kineti~no kontrolirana.
Podrobno smo prou~evali tudi mehanizem
epoksidacije propena z vodikovim peroksidom, ki je ena najpomembnej{ih reakcij, ki
jih katalizira TS-1, in ovrednotili vpliv molekul vode, reakcijskega polja topila, elektri~nega polja in eksplicitne zeolitne okolice na
aktivacijsko pregrado in reakcijski mehanizem.
and 1400 cm-1. Their origin is being sought
in self trapped, polaron like excitations. The
previously observed temperature and frequency dependent ac conductivity of α-POX
crystals have been attributed to polaron tunnelling.
- Our studies of short hydrogen bonds have
been mainly focused in the crystalline solidstate environment, since crystal field was
found to play a significant role in the structure and dynamics of hydrogen bonds. We
simulated the crystalline tetraacetylethane
(TAE) with the Car-Parrinello molecular dynamics technique and found that the hydrogen bonding is essentially asymmetric, despite the intrinsic chemical symmetry of the
TAE molecule. With the same methodology
we also simulated the contour of the broad
protonic infrared absorption of the short hydrogen bond of picolinic acid N-oxide (PANO)
in the solid state. We demonstrated that the
band broadening is mainly due to the extensive coupling of the proton motion with a
number of inter- and intramolecular degrees
of freedom. The present approach of simulating the contours of bands in vibrational
spectra represents an important novelty in
the simulation of molecular vibrations.
- Titanosilicalite catalyst TS-1 is one of the most
widely used zeolite materials. However, its
detailed structure, especially the location of
titanium active sites and the mechanisms of
the catalyzed reactions, are still poorly known.
We have performed a fully periodical quantum-mechanical study of the preference order of incorporation of titanium on the twelve
available (crystallographically inequivalent)
sites. The calculated preference order is in a
reasonable agreement with experimental
findings and also with some previously published yet more approximate computational
studies. Since the energy differences between
the site isomers are small, the site preference
may be controlled by entropic terms or the
titanium substitution can even be governed
35
- Izvedli smo ra~unalni{ke simulacije 98 majhnih peptidov dolìne 6, 8, 10 in 12 aminokislinskih ostankov proteina G. Iskali smo stabilne fragmente. Molekulsko dinamiko zamenjave replik smo izvajali s programom
Amber 7. Uporabili smo polje sil parm96 s
posplo{enim Bornovim modelom topila (GB/
SA). Ugotovili smo, da je dober kriterij za
dolo~evanje strukturiranih fragmentov konformacijska entropija in prosta energija
posameznega stanja. Velika razlika proste
energije med osnovnim in prvim vi{jim stanjem ter nizka entropija sta zna~ilna za strukturirane peptide. Veliko strukturiranih peptidov ima strukture podobne nativni. Simulacije kraj{ih peptidov so uporabne za ugotavljanje mest, kjer se protein pri~ne zvijati, in
lahko pripomorejo k bolj{emu napovedovanju
strukture proteinov.
- Mur ligaze igrajo pomembno vlogo pri biosintezi bakterijskega peptidoglikana in predstavljajo privla~ne tar~e za razvoj novih protibakterijskih u~inkovin. Z metodo proteinske
kristalografije smo dolo~ili strukturo N-sulfonil-D-Glu derivatov v kompleksu z encimom
MurD iz E. coli. Serija substituiranih naftalenskih analogov z znanim na~inom vezave v aktivno mesto tega encima je omogo~ila tudi
spoznanja o relacijah med strukturo in aktivnostjo (skupaj s sodelavci iz Leka d.d.,
Ljubljana in Fakultete za farmacijo Univerze
v Ljubljani).
- Z uporabo tar~ne molekulske dinamike smo
postavili dinami~ni model vezave obeh substratov (ATP in UDP-MurNAc-L-Ala) v njuni
vezavni mesti in analizirali zapiranje C-terminalne domene MurD.
- S hibridnimi kvantnomehansko/molekulskomehanskimi metodami (QM/MM) smo
{tudirali mehanizem nastanka tetraedri~nega
intermediata, ki pogosto predstavlja osnovo
za razvoj novih inhibitorjev. Dobljeni molekularni modeli encimske reakcije so v skladu
z eksperimentalnim reakcijskim vrstnim redom.
36
kinetically. We have also studied the mechanism of propene epoxidation by hydrogen
peroxide, which is industrially the most important reaction catalyzed by TS-1. We have
assessed a number of aspects of propene
epoxidation and the most important factors
that govern the reaction mechanism and activation barrier, including the presence of
water molecules, solvent reaction field, external electric field and explicit porous zeolite environment.
- We performed all-atom computer simulations
on nearly one hundred 6-, 8-, 10-, and 12mer peptide fragments of protein G, and look
for stable states. We simulated by replicaexchange molecular dynamics using Amber7
with the parm96 force-field and a GB/SA
(generalized-Born/solvent accessible) implicit solvent model. We find that useful diagnostics for identifying stable converged structures are the conformational entropy and free
energy of each state. A large gap in the
ground-state free-energy, and a low entropy
indicate convergence to a single preferred
peptide conformation. We find that a nonnegligible fraction of such structures have
some native-like character. Such physicsbased modeling may be useful for identifying early nuclei in folding kinetics and for
assisting in protein-structure prediction methods that utilize the assembly of peptide fragments.
- Mur ligases represent an essential role in the
biosynthesis of bacterial peptidoglycan and
represent attractive targets for the design of
novel antibacterials. Using protein crystallography we determined the structure of several N-sulfonyl-D-Glu derivatives in complex
with MurD ligase from E. coli. The series of
substituted naphtalene analogues with
known details of the binding mode of the
inhibitors enabled also structure-activity relationships (work performed in collaboration
with researchers of Lek d.d. and Faculty for
Pharmacy).
- razvili smo kvantitativne korelacije med strukturo in aktivnostjo za serijo fluorokinolonskih
zaviralcev, ki so pomembni kot antiinfektivne
u~inkovine.
- Predlagali smo nov fizikalni mehanizem,
ki mikrovalovno katalizo razlaga na osnovi
rotacijsko vzbujenih reaktivnih zvrsti, ter
njegovo veljavnost potrdili s pomo~jo
ra~unalni{ke simulacije realisti~ne kemijske
reakcije – nevtralne hidrolize estra. Ta
neravnote`ni sistem smo formalno opisali z
vpeljavo rotacijske temperature, ki je vi{ja od
translacijske temperature. Na nivoju teorije
gostotnega funkcionala smo zgradili BornOppenheimerjevo povr{ino ter jo uporabili v
spremenjeni Monte Carlo shemi. Kadar je
rotacijska temperatura vi{ja od translacijske
temperature, simulacija vodi do zniànja aktivacijske proste energije – kataliti~nega efekta. Na{ izra~un tako napoveduje, da pri rotacijski temperaturi 310 K in translacijski temperaturi 300 K reakcija poteka 4,5–krat hitreje
kot v primeru, ko sta obe temperaturi 300 K.
Ta mikrovalovni kataliti~ni efekt je manj izrazit
pri vi{jih temperaturah, kar ima lahko resne
posledice za interakcijo mikrovalov z ìvimi
organizmi v kontekstu vseprisotne mobilne
telefonije.
- Izvedli smo vrsto ab initio, DFT ter semiempiri~nih izra~unov reaktivnosti kon~nega
karcinogena akrilamida z gvaninom. Akrilamid – produkt Maillardove reakcije – nastaja
pri procesu cvrtja. Po zauìtju ga citokrom
P450 2E1 epoksidira do kon~nega karcinogena – glicidamida. Efekte hidratacije smo
obravnavali s pomo~jo modelov reakcijskega
polja topila ter Langevinovih dipolov. In silico
aktivacijske proste energije se odli~no ujemajo
z eksperimentalno vrednostjo 22,8 kcal/mol.
To ujemanje potrjuje veljavnost predlaganega
SN2 reakcijskega mehanizma in kaè na uporabnost kvantno-kemijskih metod pri obravnavi reakcij povezanih s karcinogenezo.
Hkrati smo napovedali neznatno stereoselektivnost obravnavane reakcije. Nenazadnje
- Targeted nanosecond molecular dynamics
(TMD) simulations were used to obtain a
dynamic model of both substrates (ATP in
UDP-MurNAc-L-Ala) binding to their respective binding sites and analysis of the C-terminal domain closure in MurD.
- A hybrid quantum mechanical-molecular
mechanical (QM/MM) modeling approach
was used to study the mechanism of tetrahedral intermediate formation which is frequently used as template in the design of
novel inhibitors. The corresponding reaction
models are in agreement with experimental
reaction sequence.
- We have developed the quantitative structure activity relationships in a series of fluoroquinolones which represent important antibacterias.
- We proposed a novel physical mechanism for
microwave catalysis based on rotationally
excited reactive species and verified its validity through a computer simulation of a realistic chemical reaction – neutral ester hydrolysis. This non-equilibrium system is formally
described by introducing rotational temperature, which is higher than the translational
temperature. A Born-Oppenheimer surface
was constructed on the density functional
theory level and applied to a modified Monte Carlo scheme. The simulation gave a reduced activation free energy when the rotational temperature was higher than the translational temperature, which constitutes a
catalytic effect. For example, our calculation
predicts that with rotational and translational
temperatures of 310 and 300 K, respectively, the reaction should proceed 4.5 times faster than when both temperatures are 300 K.
Moreover, this microwave catalytic effect is
less pronounced at higher temperatures,
which may have serious implications for the
interaction of microwaves with living organisms in the context of widespread mobile
telephony.
- We performed a series of ab initio, density
37
smo simulirali konkuren~no reakcijo glicidamida z adeninom in uspe{no reproducirali eksperimentalno regioselektivnost.
- [tudirali smo interakcije 1,4-dihidropiridinskih antagonistov (1,4-DHP), ki so antagonisti kalcijevih L ionskih kanalov, z razli~nimi
topili. DHP so v klini~ni uporabi za zdravljenje angine pektoris, hipertenzije in drugih kardiovaskularnih obolenj na osnovi kalcijevih Lkanalov.
- Uporabili smo volumetri~ne metode, vibracijsko spektroskopijo in kvantno kemijske
izra~une.
- Dobili smo dobro ujemanje med eksperimentalnimi in izra~unanimi koli~inami. [tudija je
prvi korak k realisti~nemu atomisti~nemu
modeliranju inhibicije kalcijevih kanalov L tipa.
- [tudirali smo pristop simulacije H/D kineti~nih
izotopskih efektov v encimski katalizi s propagacijo nuklearne valovne funkcije. Za primer smo vzeli kataliti~ni korak sojine lipoksigenaze tipa 1. Kineti~ni izotopski efekt smo
izra~unali kot razmerje hitrosti kemijskih reakcij za reakcijo z H in reakcijo z D. Konstante
reakcijske hitrosti smo izra~unali s ~asovnega
poteka nukelarnih valovnih funckij za H in D.
Propagacije smo napravili na osnovi enodimenzionalnih protonskih potencialov z
upo{tevanjem celotnega proteina. Dokazali
smo, da integracija po poti predstavlja racionalno metodologijo za izra~une kineti~nih izotopskih efektov za encimske reakcije.
- V okviru dela na podro~ju bioinformatike smo
{tudirali evolucijske mehanizme v obliki zamenjav nukleotidov, vrinkov, izpustitev in
zdrsov pri procesu replikacije. Proces nukleotidnih zamenjav smo modelirali s pomo~jo
minimalnega {tevila prostih parametrov. Nukleotidna zaporedja smo razdelili v {tiri kategorije: CpG otoke, Alu zaporedja, razred, ki
je skupen tema dvema kategorijama in vsa
ostala zaporedja. Pokazali smo, da so Alu zaporedja pogosto vklju~ena v CpG otoke, za
katere je znano, da so nosilci velike ve~ine
regulatornih elementov. Torej bo potrebno
38
functional theory (DFT), and semiempirical
molecular orbital (MO) calculations concerning reaction between the ultimate carcinogen of acrylamide and guanine. Acrylamide
- a product of the Maillard reaction - is
present in a variety of fried and oven-cooked
food. After intake it is epoxidized by cytochrome P450 2E1 to yield the ultimate carcinogen – glycidamide. Effects of solvation
were considered using the Langevin dipoles
(LD) and the solvent reaction field (SCRF)
models. In silico activation free energies are
in a very good agreement with the experimental value of 22.8 kcal/mol. This agreement presents strong evidence in favor of the
validity of the proposed SN2 reaction mechanism and points to the applicability of quantum chemical methods to studies of reactions
associated with carcinogenesis. In addition,
insignificant stereoselectivity of the studied
reaction was predicted. Finally, the competing reaction of glycidamide with adenine was
simulated and the experimentally observed
regioselectivity was successfully reproduced.
- We studied interactions of 1,4-dihydropyridine calcium channel antagonists (1,4-DHPs)
with different solvents. DHPs have been used
for many years in the treatment of angina
pectoris, hypertension and other cardiovascular diseases on the basis of L-calcium ion
channels. We used volumetric measurements,
vibrational spectroscopy and quantum chemical calculations. A good agreement between
experimental and computational results was
found. This is a first step toward realistic atomistic modeling of the calcium L-type- channel blocking.
- We explored the ability of using wave function propagation approaches to simulate isotope effects in enzymes, focusing on the large
H/D kinetic isotope effect of soybean lipoxygenase-1 (SLO-1). The H/D kinetic isotope
effect (KIE) is calculated as the ratio of the
rate constants for hydrogen and deuterium
transfer. The rate constants are calculated
ponovno ovrednotiti vlogo Alu elementov, ki
veljajo nepomembne in zajedalske genomske komponente.
- V okviru dela na raziskovalnem programu P10002 smo v letu 2008 objavili 12 originalnih
znanstvenih ~lankov, vse v SCI revijah in vse v
SCI revijah iz prvega kvartila.
- Razvili smo nove algoritme za primerjavo
strukture povr{in proteinov in jih vgradil v
spletni program, dostopen na naslovu http:/
/www.sicmm.org/probis/bin/probis.php, ki
omogo~a napovedovanje proteinskih vezavnih mest.
- V sodelovanju z National Institutes of Health,
Bethesda, MD, ZDA, smo razvili http://
charmming.org, spletno stran, ki omogo~a
enostavnejso pripravo vhodnih datotek za
program CHARMM (Chemistry at HARvard
Macromolecular Machaniscs). Posamezni
programi v tem vmesniku so bili razviti na
Kemijskem in{tituitu.
- Zaradi zahtev po ra~unalni{kih simulacijah vse
ve~jih molekulskih sistemov smo nadaljevali
raziskave na podro~ju inovativnih mre`nih
topologij za povezovanje osebnih ra~unalnikov v gru~e in algoritme, ki izkoristijo
lastnosti novih topologij. Nove gru~e
omogo~ajo simulacije molekulskih sistemov,
ki so preobse`ni za simulacije na posameznih
ra~unalnikih ali celo majhnih gru~ah.
- Pri {tudiju molekularnih nihanj kolagena smo
uporabili metode teorije gostotnih funkcionalov in metode s parametriziranimi polji sil.
Izra~unane spektre za neelasti~no sipanje
nevtronov smo primerjali z objavljenimi eksperimentalnimi podatki in ugotovili, da se
pri tvorbi sekundarne in terciarne strukture
kolagenana najbolj signifikantno spremenijo
vibracije amidnega V pasu na glicinu.
- V sodelovanju z Max Planck Institute for Polymer Research, Mainz, Nem~ija and Departamento Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid,
[panija, smo izvedli triskalno simulacijo molekularne teko~ine, v kateri smo sklopili atom-
from the time course of the H and D nuclear
wave functions. The propagations are done
using one-dimensional proton potentials
generated as sections from the full multidimensional surface of the reacting system in
the protein. We demonstrated that path integration remains a method of choice when
it comes to the quantization of nuclear motion in enzyme catalysis.
- The evolutionary mechanisms such as nucleotide replacements, insertions, deletions and
replication slippages that are shaping the
human genome were studied. The nucleotide
replacement processes are modeled in terms
of minimal number of parameters such as
the transition/transversion ratio and some
context dependent parameters. The variation
of DNA sequences is scrutinized for the period since mammalian origin and for the time
since the last common ancestor to human
and chimpanzee. A special emphasis is given
to the distinction between four sequence
categories that emerge when the genomic
sequences are partitioned into i) CpG rich islands, ii) Alu - type short interspersed repeats,
iii) the cross section of these two categories
and iv) the class of all the remaining genomic sequences. It is shown that although the
Alu sequences seem to be a typical representative of “junk DNA” they participate in
CpG islands, which are known to embed the
regulatory regions and are thus the sequences
of supreme functional importance.
- As part of the work under the research program P1-0002 we published 12 original scientific articles, which all appear in SCI journals and all of them in the first quartile of
SCI journals.
Some of the major achievements are the following:
- We have developed new algorithms for protein structure comparison and have implemented them into a web program accessible at http://www.sicmm.org/probis/bin/
probis.php, which enables to predict proteinprotein binding sites.
39
ski, mezoskopski in kontinuumski opis
teko~ine. Na{ ve~skalni pristop, ki pokriva krajevne skale z razponom od mikro do
makroskale, je kombinacija dveh dvoskalnih
pristopov: del~ne AdResS in hibridne sheme
HybridMD. Zdruèna shema AdResS-HybridMD uspe{no re{i problem vstavljanja velikih
molekul v gosto teko~ino v hibridnih del~nokontinuumskih simulacijah molekularnih
teko~in. Zdruèna shema odpre mo`nost izvajanja u~inkovitih velekanoni~nih simulacij
molekulske dinamike odprtih sistemov molekularnih teko~in.
- Dr. Du{anka Janeì~ je Associate Editor revije
Journal of Chemical Information and Modeling (JCIM), An American Chemical Society
Publications (2001 – sedaj).
- Dr. Du{anka Janeì~ je ~lanica Editorial Boarda: Advances in Chemoinformatics and Computational Methods (ACCM), Book Series, IGI
Global, MIT Press (2007 – sedaj).
- Dr. Milan Hodo{~ek je soavtor in razvijalec
najbolj uporabljanega ra~unalni{kega programa za molekularno modeliranje - CHARMM
(Chemistry at HARvard Molecular Mechanics).
SODELOVANJE Z INDUSTRIJSKIMI IN DRUGIMI PARTNERJI
Sodelujemo s podjetjema Krka d.d., Novo mesto in Lek d.d., Ljubljana, na podro~ju vibracijske spektroskopije. Razvijamo nove metode, ki
omogo~ajo bolj{e in nata~nej{e vrednotenje
vibracijskih spektralnih parametrov. Sodelujemo
pri teko~i problematiki analiznega laboratorija
in tudi pri njihovih razvojnih nalogah.
S podjetjem Lek d.d., Ljubljana, enota Raziskave
u~inkovin, smo sodelovali na razvoju novih
u~inkovin na antiinfektivnem terapevtskem
podro~ju.
Pri raziskavah, ki jih izvajamo v okviru na{ega
raziskovalnega dela v Centru za molekularno
modeliranje na Kemijskem in{titutu, v sodelovanju s podjetjem Lek, d.d., Ljubljana, enota
Raziskave u~inkovin, delamo na projektih
40
- In collaboration with the National Institutes
of Health, Bethesda, MD, USA we have developed http://charmming.org, a web interface to prepare input files for the CHARMM
(Chemistry at HARvard Macromolecular
Machaniscs) program. Some of the programs
which run the web site were developed at
the National Institute of Chemistry, Slovenia.
- Due to the increasing size of molecular systems that we wish to study with computer
simulations, we have continued our research
on novel network topologies for connecting
personal computers into clusters as well as
the algorithms that complement the new
topologies. With these clusters and algorithms, computer simulations can be performed of molecular systems that are too big
for simulating on individual computers or
even small clusters.
- We used density functional theory methods
and analytical force fields to investigate the
molecular vibrations of a model collagen
compound. The results were validated by
comparison with published inelastic neutron
scattering data. We found the strong modification of Amide V vibration of glycine as
the most significant vibrational signature of
secondary and tertiary structure formation.
- In collaboration with the Max Planck Institute for Polymer Research, Mainz, Germany
and Departamento Fisica Teorica de la Materia Condensada, Universidad Autonoma de
Madrid, Spain, we have performed a triplescale simulation of a molecular liquid, in
which the atomistic, mesoscopic and continuum descriptions of the liquid are concurrently coupled. This multiscale approach,
which covers the length-scales ranging from
the micro- to macro-scale, is a combination
of two dual-scale models: a particle-based
Adaptive Resolution Scheme (AdResS) and a
hybrid continuum-molecular dynamics
scheme (HybridMD). The combined AdResSHybridMD scheme successfully sorts out the
problem of large molecule insertion in the
raziskav za obdelavo NMR spektrov in molekularnega modeliranja kot pomo~ pri interpretaciji
NMR spektrov. Sodelujemo tudi z Institutom
Joèf Stefan, Medicinsko fakulteto, Fakulteto
za matematiko in fiziko, Biotehni{ko fakulteto,
Fakulteto za farmacijo, Fakulteto za ra~unalni{tvo in informatiko (vse Univerza v Ljubljani)
ter Primorsko univerzo, FAMNIT.
MEDNARODNO SODELOVANJE
- Slovensko-hrva{ka bilaterala 2007-2008
- Slovensko-makedonska bilaterala 2007-2008
Kemijski in{titut, Center za molekularno modeliranje in RIKEN Yokohama Institute, High Performance Molecular Simulation Team, Japonska sta podpisala tri letni sporazum o znanstveno
raziskovalnem sodelovanju (Collaborative Research Agreement) na podro~ju razvoja namenske strojne in programske opreme za izvajanje
simulacij molekulske dinamike biolo{kih makromolekul. Na slovenski strani je odgovorna nosilka projekta dr. Du{anka Janeì~, glavni izvajalec pa dr. Milan Hodo{~ek. Tovrstno sodelovanje potrjuje, da smo med vodilnimi svetovnimi
razvijalci vzporednih ra~unalni{kih gru~ za izvajanje vzporednih simulacij molekulske dinamike velikih sistemov, ki jih uspe{no uvajamo v Sloveniji in s {irokim mednarodnim
sodelovanjem tudi slovenskim raziskovalcem
omogo~amo dostopnost do vrhunske strojne
in programske opreme.
Sodelujemo pri financiranih bilateralnih projektih z raziskovalci iz naslednjih dràv:
- z ZDA: dr. Bernard R. Brooks, National Institutes of Health, Bethesda, MD
- s Hrva{ko: dr. Sonja Nikoli}, Institute Rudjer
Bo{kovi}, Zagreb
- s Hrva{ko: dr. Zvonimir Maksi~, Institute Rudjer Bo{kovi}, Zagreb
- z Romunijo: dr. Mircea Diudea, University of
Cluj, Cluj
- s Poljsko: dr. Aleksander Koll, University of
hybrid particle-continuum simulations of
molecular liquids. The combined model,
which correctly describes the hydrodynamics within the hybrid particle-continuum
framework, opens up the possibility to perform efficient grand-canonical molecular
dynamics simulations of truly open molecular liquid systems.
- Dr. Du{anka Janeì~ is the Associate Editor
of the Journal of Chemical Information and
Modeling (JCIM), An American Chemical Society Publications (2001 – present).
- Dr. Du{anka Janeì~ is a member of the Editorial Board: Advances in Chemoinformatics
and Computational Methods (ACCM), Book
Series, IGI Global, MIT Press (2007 – present).
- Dr. Milan Hodo{~ek is a coauthor and developer of the widely used computer program
for molecular modeling – CHARMM (Chemistry at HARvard Molecular Mechanics).
COLLABORATION WITH INDUSTRIAL AND
OTHER PARTNERS
- We cooperate with pharmaceutical companies Lek d.d., Ljubljana, Slovenia, and Krka
d.d., Slovenia. We developed the quantitative methods for determination of drug crystallinity using Raman and FTIR spectroscopy.
We developed a new method suitable for
rapid and accurate determination of various
types of drug crystallinity. The method is
based on the modified PCR analysis of Raman spectra. The rapid quantitative feed back
information about the type of drug crystallinity enables efficient change of the crystallization parameter to rationalize drug production.
- In collaboration with Lek d.d., Ljubljana, Slovenia, Drug Discovery we develop novel chemical entities (NCE’s) in the antiinfective and
cardiovascular therapeutic areas and we also
collaborate on research projects for processing NMR spectra using molecular modeling
approaches.
41
Wroclav, Wroclav
- z Rusijo: dr. Vladimir Poroikov, Institute of
Biomedical Chemistry of Russian Academy
of Medical Sciences, Moscow
- s Francijo: dr. Mark Johnson, ILL, Grenoble
POMEMBNI IN[TRUMENTI IN OPREMA
- Izgradili smo vzporedni ra~unalniski sistem
VRANA-12
- FTIR spektrometer Perkin Elmer sistem 2000
z NIR Raman spektrometrom
- FTIR Bruker 66 S
- Suha komora Braun
- Diamantna ATR celica
IZOBRA@EVANJE IN OBISKI /
GOSTOVANJA
- Dr. Matej Praprotnik je bil habilitiran v docenta za podro~je fizike na Fakulteti za
matematiko in fiziko, Univerza v Lubljani
- Mladi raziskovalec Janez Konc (mentorica dr.
Du{anka Janeì~) je pridobil naslov doktorja
znanosti na Fakulteti za farmacijo, Univerza
v Lubljani
- Mlademu raziskovalcu Nejcu Carlu (mentorica dr. Du{anka Janeì~) je bil odobren direktni prehod na doktorski {tudij na Fakulteti
za kemijo in kemijsko tehnologijo, Univerza
v Lubljani
- Mladi raziskovalki Gordani Pirc (mentor prof.
dr. Branko Bor{tnik) je bil odobren direktni
prehod na doktorski {tudij na Fakulteti za
kemijo in kemijsko tehnologijo, Univerza v
Lubljani
- Bla` Vehar je diplomiral na Fakulteti za farmacijo, Univerza v Lubljani, (somentorica dr.
Du{anka Janeì~)
- Dr. Urban Bren je v zimskem semestru {tudijskega leta 2008/2009 kot gostujo~i docent
predaval predmet Physical Chemistry I
dodiplomskim {tudentom kemije in forenzi~nih znanosti na Department of Chemistry, Loyola University Chicago, ZDA
42
- We collaborate with Joèf Stefan Institute,
Slovenia; Faculty of Medicine, Faculty of
Mathematics and Physics, Biotechnical Faculty, Faculty of Pharmacy, Faculty of computer and information science (all University of
Ljubljana, Slovenia). We also collaborate with
the University of Primorska, FAMNIT.
INTERNATIONAL COLLABORATION
- Slovenia-Croatia bilateral project 2007-2008
- Slovenia-Macedonia bilateral project 20072008
The National Institute of Chemistry, Center for
Molecular Modeling and the RIKEN Yokohama
Institute, High Performance Molecular Simulation Team, Japan have signed a three year collaborative research agreement on computer
hardware and molecular dynamics simulation
methods development. The principal investigator in Slovenia is Dr. Du{anka Janeì~ and the
main personnel in Slovenia is Dr. Milan
Hodo{~ek. Such collaboration proves that we
are among leading developers of parallel computer clusters to be used for molecular dynamics simulations of large systems, which we successfully introduced to Slovenia.
We collaborate on financed bilateral projects
with researchers from the following countries:
- USA: Dr. Bernard R. Brooks, National Institutes of Health, Bethesda, MD
- Croatia: Dr. Sonja Nikoli}, Institute Rudjer
Bo{kovi}, Zagreb
- Croatia: Dr. Sanja Tomi}, Institute Rudjer
Bo{kovi}, Zagreb
- Romania: Dr. Mircea Diudea, University of
Cluj, Cluj
- France: Proteus project, Prof. Dr. Mark Johnson, Institute Laue Langevin, Grenoble
- Poland: Dr. Aleksander Koll, University of
Wroclav, Wroclav
- Russia: Dr. Vladimir Poroikov, Institute of Biomedical Chemistry of Russian Academy of
Medical Sciences, Moscow
- Dr. Urban Bren je bil v letu 2008 imenovan
za strokovnega izvedenca Zdruènih narodov za podro~ji kombinatorne kemije ter
racionalnega na~rtovanja zdravilnih u~inkovin
Razdelitev starega L01 v nove L01,
L14 in L17
Konec leta 2008 je bila izvedena delitev Laboratorija za molekularno modeliranje in NMR
spektroskopijo na tri laboratorije. Nacionalni
raziskovalni in razvojni program za obdobje
2006 do 2010 dolo~a namre~ v to~ki 5.3,
naj bodo raziskovalci v javnih raziskovalnih
zavodih organizirani v programske skupine
in utemeljuje, da bo s tem optimizirana njihova produktivnost na podro~ju osnovnih in
usmerjenih osnovnih raziskav. Laboratorij za
molekularno modeliranje in NMR spektroskopijo na Kemijskem in{titutu je bil sestavljen
iz treh programskih skupin. Nabor raziskovalnih podro~ij je bil dokaj obseèn. V
raziskave je bilo vklju~enih skoraj 30 raziskovalcev, med njimi sedem znanstvenih svetnikov. Vodje raziskovalnih programov so è v
celotnem programskem obdobju 2004 2008 z veliko mero samostojnosti vodili svoje programske skupine in so tudi uspe{no
pre{li v novo programsko obdobje. Delitev
sta tudi formalno podprla Znanstveni svet in
Upravni odbor Kemijskega in{tituta in potrdila ustanovitev treh novih enot:
- Laboratorij za ra~unalni{ke bioznanosti in
bioinformatiko (L01)
- Laboratorij za strukturo biomolekul (L14)
- Laboratorij za molekularno modeliranje
(L17).
MAJOR EQUIPMENT
- We have built the CROW-12 parallel computer cluster
- FTIR spectrometer Perkin Elmer system 2000
with NIR Raman
- FTIR Bruker 66 S
- Glove-box Braun
- Diamond ATR cell
EDUCATION AND IMPORTANT VISITS
- Dr. Matej Praprotnik obtained Habilitation in
Physics (Docent), University of Ljubljana, Faculty of Mathematics and Physics
- Junior Researcher Janez Konc (advisor Dr.
Du{anka Janeì~) has been promoted as a
PhD at the Faculty for Pharmacy, University
of Ljubljana
- Junior Researcher Nejc Carl (advisor Dr.
Du{anka Janeì~), has been granted a direct
transition to the PhD program of the Faculty
for Chemistry and Chemical Technology, University of Ljubljana
- Junior Researcher Gordana Pirc (advisor Prof.
Dr. Branko Bor{tnik), has been granted a direct transition to the PhD program of the
Faculty for Chemistry and Chemical Technology, University of Ljubljana
- Bla` Vehar obtained a BSc. degree at the Faculty for Pharmacy, University of Ljubljana (coadvisor Dr. Du{anka Janeì~)
- Dr. Urban Bren held a Visiting Assistant Professor position at Department of Chemistry,
Loyola University, Chicago, USA, lecturing
Physical Chemistry I to undergraduate students during the Fall Semester of 2008
- Dr. Urban Bren was in 2008 appointed as
United Nations Expert in Combinatorial
Chemistry and Molecular Design
Split of the old L01 into new L01, L14 and
L17
At the end of the year 2008 the Laboratory for
Molecular Modeling and NMR Spectroscopy
43
was split into three parts. The National Research
and Developement Programme for the period
2006 to 2010 recommends in the clause 5.3
that the researchers in the public research institutions follow the research program scheme
in order to achieve optimal output in the field
of applied and basic research. The Laboratory
for Molecular Modeling and NMR Spectroscopy was composed of three research program
groups who are involved in a wide variety of
research topics. The laboratory comprised 30
researchers with seven scientific counsellors. The
research program principal investigators were
practicing rather independent research management already during the program research
period 2004 - 2008.
They were also successful in bringing the research programs to new program period. The
proposal to form three new research departments passed the Scientific Council and the
Board of Governors of the National Institute of
Chemistry and the following researh departments were set up:
- Laboratory for Biocomputing and Bioinformatics (L01)
- Laboratory of Biomolecular Structure (L14)
- Laboratory for Molecular Modeling (L17).
44
Laboratorij za spektroskopijo materialov
Laboratory for Spectroscopy of Materials
L02
dr. Zorica Crnjak Orel
doc. dr. Marta Klanj{ek Gunde
dr. Angela [urca Vuk
dr. Lidija Slemenik Per{e
dr. Jelica Vince
VODJA / HEAD
prof. dr. Boris Orel
MLADI RAZISKOVALCI/
YOUNG RESEARCHERS
Marko Bitenc
Nina Hauptman
Ivan Jerman
Matja` Koèlj
Podbr{~ek Peter
Ma{a @vegli~
Alja` Vil~nik (MR iz gospodarstva / Young researcher from economic sector)
Bo{tjan Japelj (MR iz gospodarstva / Young researcher from economic sector)
Miha Steinbücher Miha (MR iz gospodarstva /
Young researcher from economic sector)
Mojca Fri{kovec (MR iz gospodarstva / Young
researcher from economic sector)
Helena Spreizer
Teja Medved
PRIPRAVNIKI / TRAINEES
Marija ôlovi}
Ale{ Matja{i~
Kristina Treven
Miodrag Mitrovi}
^rtomir Martinjak
45
PODRO^JA DEJAVNOSTI
V Laboratoriju za spektroskopijo materialov
razvijamo nanokompozitne materiale za
razli~ne aplikacije:
- sinteza razli~nih oligomernih poliedri~nih
silseskvioksanov (POSS), ki se lahko uporabljajo kot aditivi v razli~nih materialih;
RESEARCH ACTIVITIES
In Laboratory for Spectroscopy of Materials we
develop nanocomposite materials for various
applications:
- synthesis of various oligomeric polyhedral
silsesquioxanes (POSS), which can be used
as additives in different materials;
- multifunkcionalne nanokompozitne prevleke
za tekstil, tudi z antibaktericidnimi lastnostmi;
- multifunctional nanocomposite coatings for
textile, also with antibacterial properties;
- multifunkcionalne nanokompozitne antikorozijske prevleke za kovine;
- multifunctional nanocomposite corrosion
protective coatings for metals;
- sinteza razli~nih inhibitorjev kot dodatkov za
antikorozijske prevleke kovin;
- synthesis of various inhibitors as additives for
anticorrosion coatings for metals;
- nanostrukturne plasti z interkalacijskimi
lastnostmi;
- nanostructured layers with intercalation
properties;
- protonsko prevodne membrane za gorivne
celice;
- proton conductive membranes for fuel cells;
- trdne elektrolite na osnovi ionskih teko~in za
elektrokromna (pametna) opti~no preklopna
okna in za Grätzlove fotoelektrokemijske
celice (predvsem na osnovi ionskih teko~in);
- solid electrolytes on the basis of ionic liquids
for electrochromic (smart) optically switchable windows and for Grätzel photoelectrochemical cells (mainly on the basis of
ionic liquids);
- priprava nanodelcev na osnovi Cu- in Znoksidov;
- preparation of nanoparticles on the basis of
Cu- and Zn-oxides;
- spektralno selektivni barvni premazi za
son~ne zbiralnike in fasade zgradb;
- spectrally selective coloured paint coatings
for solar collectors and façades of buildings;
46
- razvoj analiznih in eksperimentalnih pristopov
za raziskave strukture materialov, opti~nih
lastnosti (barva, termi~na emisivnost) in
povr{inskih lastnosti (plazemske tehnologije);
- uporaba reaktivnih in selektivnih plazemskih
tehnologij;
- raziskave materialov, ki so pomembni pri
tisku;
- the development of analytical and experimental approaches for the investigation of structure of various materials, optical properties
(colour, thermal emisivity) and surface properties (plasma technology);
- applications of reactive and selective plasma
technologies;
- materials for printing technologies;
- barve in barvna metrika.
- colours and colorimetry.
Spletni naslov L02: http://www.ki.si/raziskovalne-enote/l02-laboratorij-za-spektroskopijo-materialov/
Internet address L02: http://www.ki.si/en/research-departments/l02-laboratory-for-thespectroscopy-of-materials/
BIBLIOGRAFIJA
3 strokovni ~lanki
1 intervju
5 srednje{olskih, osnovno{olskih ali drugih
u~benikov z recenzijo
4 druga u~na gradiva
13 objavljenih znanstvenih prispevkov na
konferencah
15 objavljenih povzetkov znanstvenih
prispevkov na konferencah
2 patentni prijavi
1 patent
7 predavanj na tujih univerzah
7 prispevkov na konferencah brez natisa
1 vabljeno predavanje na konferenci brez
natisa
2 kon~ni poro~ili o rezultatih raziskav
BIBLIOGRAPHY
3 Professional Articles
1 Interview
5 Reviewed Secondary and Primary School
Textbooks or Other Textbooks
4 Other Educational Materials
2 Patent Application
1 Patent
1 Unpublished Invited Conference Lecture
SLIKA 1:
Kombinacija KF in 18-krona-6 omogo~a u~inkovito
FIGURE 1:
The combination of KF with 18-crown-6 is a potent
pripravo okta- in dodeka-fenilsilseskvioksanskih
struktur neposredno iz feniltrimetoksisilana.
catalytic system for effective preparation of octa- and
dodeca-phenylsilsesquioxane cages directly from
phenyltrimethoxysilane.
47
2
2
1
izvedenski mnenji, arbitra`ni odlo~bi
diplomi
doktorat
- V letu 2008 smo intenzivno nadaljevali z
raziskovanjem oligomernih poliedri~nih
silseskvioksanov (POSS), sintetiziranih na
osnovi bazi~ne hidrolize. Pripravili smo monodi- in trifunkcionalizirane (RxRy’Rz’’(SiO3/2)8,
x+y+z = 6, 8, 10, 12 …) POSS materiale z
razli~nimi organskimi funkcionalnimi skupinami. Demonstrirali smo tudi uporabnost
POSS materialov, funkcionaliziranih z
izooktilnimi, amino in perfluoro skupinami za
protikorozijske za{~itne prevleke na aluminijevi zlitini AA 2024. POSS so se izkazali tudi
pri za{~iti tekstilnih povr{in in kot dodatki
spektralno selektivnim barvnim premazom.
- Raziskave protikorozijskih za{~itnih prevlek so
potekale v okviru CRP projekta MORS z
naslovom Priprava in karakterizacija hibridnih,
nanostrukturiranih premazov za korozijsko
za{~ito kovinskih povr{in (M1-0238), ki smo
ga izvajali skupaj z Zavodom za gradbeni{tvo
in Colorjem d.d. Preliminarni testi so pokazali,
da lahko z uvajanjem razli~nih organskih
skupin v POSS strukture mo~no pove~amo
hidrofobne in oleofobne lastnosti pripravljenih antikorozijskih prevlek. Sintetizirali smo
2
2
2
1
Final Research Reports
Expertises, Arbitration Decisions
Undergraduate Theses
Doctoral Dissertation
- In year 2008 we intensively continued with
our investigation of oligomeric polyhedral
silsesquioxanes (POSS), synthesised using
basic hydrolysis. Mono-, di- and trifunctionalised POSS materials (RxRy’Rz’’(SiO3/2)8,
x+y+z = 6, 8, 10, 12,…) were functionalised
with different organic groups. The application of POSS materials functionalised with
isooctyl, amino and perfluoro groups for
anticorrosion coatings on aluminium AA
2024 alloy was demonstrated. POSS were
found promising also for finishing of textile
surfaces and as additives in spectrally selective paint coatings.
- The investigations of anticorrosion coatings
were made in the frame of CRP project entitled Preparation and characterisation of hybrid, nanostructured coatings for corrosion
protection of metal surfaces (M1-0238) together with Slovenian National Building and
Civil Engineering Institute and Color, d.d.,
Medvode, Slovenia. Preliminary tests revealed
that functionalisation of POSS with various
organic groups significantly influence hydro-
SLIKA 2:
Obarvane vodne kapljice na povr{ini bomba`ne
FIGURE 2:
Coloured water drops on the surface of cotton fab-
tkanine, impregnirane z multifunkcionaliziranim
POSS.
rics, finished with multifunctionalised POSS.
48
tudi ve~ organskih inhibitorjev korozije in jih
vklju~ili v sol-gel prevleke.
- V sodelovanju s podjetjem Color d.d.,
Medvode, smo nadaljevali z razvojem
spektralno selektivnih barvnih premazov,
neodvisnih od debeline nanosa (Thickness
Insensitive Spectrally Selective (TISS) coatings), ki so namenjeni uporabi v kolektorskih
sistemih na fasadah stavb. Za~eli smo tudi z
razvojem TISS barvnih premazov, v katerih
smo kot dodatke uporabili razli~ne silane oz.
è sintetizirane in razli~no funkcionalizirane
POSS materiale. Ti dodatki so mo~no izbolj{ali
predvsem hidrofobne lastnosti (kontaktni kot
> 140°) barvnih premazov in kot nagiba, pri
katerem je stekla vodna kapljica, se je
zmanj{al <10°. Na ta na~in se mo~no izbolj{a
»easy-to-clean« u~inek, saj vodne kapljice
zdrsnejo s povr{ine in s seboj odnesejo vso
umazanijo. Delo na tem podro~ju smo
uspe{no nadgradili s sodelovanjem z norve{kih podjetjem AVENTO in skupaj z obema
podjetjema pridobili mednarodni projekt
MULTIFUNCOAT v okviru MATERA ERA-NET,
ki bo pri~el te~i v za~etku leta 2009.
- Analizirali smo osnovne lastnosti svetlobno
ob~utljivega polimera na epoksi osnovi. Gre
za relativno nov UV-fotorezist, ki se zaradi
svojih odli~nih lastnosti è uporablja v
sodobni tehnologiji mikroma{ininga. Ta material smo uporabili za matriko kompozita z
variabilno prevodnostjo in pokazali, da ga je
mogo~e uspe{no uporabiti za senzorski material v razli~nih kemijskih senzorjih.
- Analizirali smo metode merjenja barv
interferen~nih plasti, ki jih je mo`no pripraviti
s tiskom. Gre za enega od pomembnih
efektnih materialov, ki igra pomembno vlogo
tudi v za{~itnem tisku.
- Opravili smo nekaj poskusov tiska elektroprevodnih linij. Pokazalo se je, da je rezultat
mo~no odvisen od parametrov tiska in su{enja
iztisov.
- Nadaljevali smo tudi z raziskavami interkalacijskih tankih plasti (CeVO4, V2O5, Sn/Mo-
phobic and oleophobic properties of anticorrosion coatings. Some organic inhibitors of
corrosion were additionally synthesised and
incorporated into sol-gel protective coatings.
- In collaboration with Color factory we continued with the development of Thickness Insensitive Spectrally Selective (TISS) coloured
paint coatings for solar façades. We also
started the development of TISS paints with
added silanes or variously functionalised POSS
materials. These additives significantly improved the hydrophobic properties (contact
angle > 140°) of paint coatings and consequently, the sliding angle for water decreased
to <10°. In this way we increased the »easyto-clean« effect, the water drops slipped from
the surface and sweep away the dirt. The
work on this area was successfully upgraded
with the cooperation with a Norway firm
AVENTA and together with both companies
we obtained international project MULTIFUNCOAT in the frame of MATERA ERA-NET,
which will start at the beginning of 2009.
- Basic properties of light-sensitive epoxy-based
polymer were analysed. Excellent properties
of the relatively new UV-photoresist were
approved what enables it to use in micromachining technology applications. This
material was applied for matrix of
nanocomposites with variable electrical conductivity. It was shown that it is a suitable
sensing material for chemical vapour sensors.
- Measuring methods needed for colorimetrical
analysis of interference coatings were analysed. Such coatings represent one of the
most important elements in the area of security printing.
- Electrically conductive lines printed on different substrates were analysed. It was shown
that the result strongly depends on several
printing parameters.
- Investigations of thin films with intercalation
properties (CeVO4, V2O5, Sn/Mo-oxide, CeO2,
Ce/Ti-oksid,...) for counter electrodes in
electrochromic (EC) devices were continued
49
A
B
SLIKA 3:
A) SEM posnetek trakaste strukture bele snovi
(100000x pove~ava), ki je bila najdena v ognji{~u iz
FIGURE 3:
A) SEM micrograph of a ribbon structure of the white
substance (100000x magnification), which was found
Divjih bab I, in B) predlagana struktura minerala.
Osnovna celica je ozna~ena ~rtkano.
in the hearth of Divje babe I site, and B) suggested
structure of the mineral. The unit cell is marked with
dashed lines.
oksid, CeO2, Ce/Ti-oksid,...) za nasprotne
elektrode v elektrokromnih (EC) sklopih ter s
pripravo elektrolitov na osnovi kondenziranih
ionskih teko~in za te sklope, in sicer v okviru
EU projekta INNOSHADE. Sintetizirali smo
ve~je {tevilo sol-gel funkcionaliziranih ionskih
teko~in na osnovi imidazolija. Kot anione smo
uporabili jodidne, kloridne in bromidne ione.
Pripravljene ionske teko~ine smo tudi
funkcionalizirali z razli~nimi etilenglikolnimi
verigami.
in the frame of EU project INNOSHADE, as
well the preparation of electrolytes on the
basis of condensed ionic liquids. We synthesised a number of sol-gel functionalised ionic
liquids on the basis of imidazolium. As anions iodide, chloride and bromide ions were
used. The prepared ionic liquids were also
functionalised with various ethyleneglycol
chains.
- V okviru EU projekta Apollon-B (nosilec na
KI: dr. S. Ho~evar) smo nadaljevali s sintezo
sol-gel protonskih prevodnih membran. Za
pripravo teh membran smo sintetizirali nekaj
novih sol-gel prekurzorjev, ki membranam
podelijo fleksibilnost in temperaturno
obstojnost.
- V sodelovanju z Laboratorijem za biotehnologijo smo za~eli uporabljati silane kot
povezovalce med osnovo (steklom, polimeri)
in baktericidnim peptidom polimiksinom B.
Rezultati kaèjo dobro redukcijo rasti bakterij
na tak{ni povr{ini. Cilj te raziskave je uporaba
teh prevlek na medicinskih pripomo~kih
(katetri).
50
- In the frame of EU project Apollon-B (responsible at NIC: Dr. S. Ho~evar) we continued
with the preparation of proton conducting
sol-gel membranes. For their preparation we
synthesised some new sol-gel precursors that
impart flexibility and temperature stability to
the membranes.
- In collaboration with the Laboratory of Biotechnology we started to use silanes as linkers
between the base (glass, polymers) and the
bactericidal peptide polymixyn B. First results
showed good reduction in bacteria growth
on such a surface. The aim of this investigation is the use of these coatings on the medical instruments (catheters).
- Cu nanoparticles and nano to sub-micrometer ZnO with an organophilic surface layer
were synthesized by the polyol method. The
- Cu nanodel~ke in nano do submikrometerske
ZnO del~ke z organofilizirano povr{ino smo
pripravili s poliolno metodo. Velikost in
morfologijo pripravljenih del~kov smo
zasledovali v odvisnosti od koncentracije
za~etnih prekurzorjev kot tudi od temperature reakcije. Morfologija in velikosti dobljenih
produktov so zelo odvisni od koncentracije
za~etnih spojin, kar kaè na razlike v
mehanizmih reakcij, kar vpliva na tvorbo
del~kov. ZnO del~ke smo uporabili za pripravo
ZnO/poli(metil metakrilatnih) nanokompozitov. Ugotovili smo, da je povpre~na velikost
del~kov klju~ni parameter za optimizacijo UV
absorpcije in termalne stabilizacije ZnO/
PMMA kompozitov. Porozne ZnO del~ke v
obliki sferi~nih krizantem smo sintetizirali v
dveh korakih. Prvo smo pripravili cink
hidroksikarbonat, ki smo ga s postopnim
gretjem do 600 °C (v Ar atmosferi) prevedli v
ZnO. Dobljeni del~ki so zadràli prvotno
morfologijo, le velikost kristalitov se je
zmanj{ala od 52 na 27 nm. Specifi~na
povr{ina se je pove~ala od 16 na 40 m2/g kot
posledica tvorbe nanoporozne strukture. Pri
tem delu smo intenzivno sodelovali z
Laboratorijem za polimerno kemijo in
tehnologijo.
SODELOVANJE Z INDUSTRIJSKIMI IN
DRUGIMI PARTNERJI
- Color d.d., Medvode; razvoj premazov za
son~ne zbiralnike in fasade (sodelovanje v
okviru mednarodnega projekta MULTIFUNCOAT v okviru MATERA ERA-NET; mladi
raziskovalec iz gospodarstva Miha Steinbücher);
- Univerza v Ljubljani, Naravoslovnotehni{ka
fakulteta in Tekstina, tekstilna industrija
Ajdov{~ina, d.d.; razvoj ve~funkcionalne
za{~itne tekstilije za voja{ke uniforme
(sodelovanje v okviru CRP projekta MORS);
- Zavod za gradbeni{tvo; razvoj antikorozijskih
prevlek z in brez inhibitorjev (sodelovanje v
okviru CRP projekta MORS);
size and morphology of the synthesized particles were studied in dependence of the concentration of the starting compound and the
temperature reaction. The morphology and
size of the resulting product strongly depended on the concentration of the starting
compound, thus indicating differences in the
mechanism of reactions and, consequently,
the mechanism of particle formation. ZnO
particles were used for the preparation ZnO/
poly(methyl methacrylate) nanocomposites.
It was shown that the average particle size
of ZnO is an important parameter for
optimizing the UV absorption and thermal
stabilization of ZnO/PMMA composites. Porous ZnO particles in the shape of spherical
chrysanthemums were synthesized in two
steps. First zinc hydroxide carbonate was
formed, and after subsequent heating up to
600 °C in an Ar atmosphere the product was
transformed into ZnO without change in
morphology. At the same time, the crystallite
size of the samples decreased from 52 to 27
nm after heating. The surface area increased
from 16 to 40 m2/g as a consequence of the
newly formed nanoporous surface. This work
was performed in close collaboration with
the Laboratory for Polymer Chemistry and
Technology.
OTHER PARTNERS
- Color d.d., Medvode, Slovenia; development
of paint coatings for solar collectors and
façades (cooperation in the frame of international project MULTIFUNCOAT, MATERA
ERA-NET; young researcher Miha Steinbücher);
- University of Ljubljana, Faculty of Natural
Sciences and Engineering and Tekstina, textile industry Ajdov{~ina, d.d., Slovenia; development of multifunctional protective coatings for textile for military uniforms (cooperation in the frame of CRP MORS project);
- Slovenian national building and civil engineer-
51
- Univerza v Ljubljani, Naravoslovnotehni{ka
fakulteta, Katedra za informacijsko in grafi~no
tehnologijo ter univerza v Ljubljani, Fakulteta
za elektrotehniko, Katedra za mikroelektronske tehnologije; skupen razvoj osnovnega
znanja na podro~ju tiskane elektronike.
- AVENTA AS, Fjellhamar, Norve{ka (priprava
mednarodnega projekta MULTIFUNCOAT v
okviru MATERA ERA-NET);
- INNOSHADE, Innovative Switchable Shading
Appliances based on Nano-materials and
Hybrid Electrochromic Device Configurations,
FP7 Collaborative Project, (Koordinator: dr. U.
Posset, Fraunhofer-Institut Silicatforschung,
Würzburg, Nem~ija);
- Polymer Electrolytes and Non Noble Metal
Electrocatalysts for High Temperature Fuel
Cells (APOLLON-B), STREP EU projekt, 1. 10.
2006 – 30. 9. 2009 (vodja na KI: dr. S.
Ho~evar);
- Polymeric Materials for Solar Thermal Applications, International Energy Agency (IAE),
(od decembra 2005), pro{nja za pridruèno
sodelovanje;
- Sinteze me{anih sistemov na osnovi titanovega oksida: strukturne, elektrokemijske in
povr{inske lastnosti, Bilateralno sodelovanje
Slovenija-Italija, 1. 3. 2006 – 31. 2. 2009,
University of Trento, Trento (dr. Angela [urca
Vuk);
- Mreà odli~nosti: Nanostructured and Functional Polymer-based materials and Nanocomposites, Proposal No. NOE 500361-2 (dr.
Z. Crnjak Orel);
- Priprava in karakterizacija uniformnih delcev,
Bilateralno sodelovanje Slovenija-ZDA,
Clarkson University (dr. Z. Crnjak-Orel);
- CIE, Division 1 (dr. M. Klanj{ek Gunde, uradna
~lanica – predstavnica Slovenije);
- CIE, Division 2, TC2-53, Multi-geometry color
measurements of effect materials (dr. M.
Klanj{ek Gunde, ~lanica);
52
ing institute; development of anticorrosion
coatings with and without inhibitors (cooperation in the frame of CRP project MORS);
- University of Ljubljana, Faculty of Natural
Sciences and Engineering, Institute of textile
and graphic technology and design and University of Ljubljana, Faculty of Electrical Engineering, Department of microelectronic technology; development of knowledge on the
field of print electronics.
- AVENTA AS, Fjellhamar, Norway (preparation
of the international project MULTIFUNCOAT,
MATERA ERA-NET);
- INNOSHADE, Innovative Switchable Shading
Appliances based on Nano-materials and
Hybrid Electrochromic Device Configurations,
FP7 Collaborative Project, (Coordinator: Dr.
U. Posset, Fraunhofer-Institut Silicatforschung, Würzburg, Germany);
- Polymer Electrolytes and Non Noble Metal
Electrocatalysts for High Temperature Fuel
Cells (APOLLON-B), STREP EU project, 1. 10.
2006 – 30. 9. 2009 (responsible on KI: Dr. S.
Ho~evar);
- Polymeric Materials for Solar Thermal Applications, International Energy Agency (IAE),
Solar Heating and Cooling Programme, Task
39;
- Synthesis of mixed systems on the basis of
titanium oxide: structural, electrochemical
and surface properties, Bilateral cooperation
Slovenia-Italy, 1. 3. 2006 – 31. 2. 2009, University of Trento, Italy (Dr. A. [urca Vuk);
- Network of Excellence: Nanostructured and
Functional Polymer-based materials and
Nanocomposites, Proposal N°. NOE 5003612 (Dr. Z. Crnjak Orel);
- Preparation and characterisation of uniform
particles, Bilateral cooperation Slovenia-USA,
Clarkson University (Dr. Z. Crnjak Orel);
- CIE, Division 1 (Dr. M. Klanj{ek Gunde, official member – representative of Slovenia);
- CIE, Division 1, TC1-66, Indoor daylight illuminant (dr. M. Klanj{ek-Gunde, ~lanica).
- CIE, Division 2, TC2-53, Multi-geometry color
measurements of effect materials (Dr. M.
Klanj{ek Gunde, member);
- FT-IR spektrometer Bruker IFS 66/S
- CIE, Division 1, TC1-66, Indoor daylight illuminant (Dr. M. Klanj{ek-Gunde, member).
- FT-IR in FT-Raman spektrometer Perkin Elmer
2000
- Spektrometer Lambda 950 UV/VIS/NIR
- Hewlett-Packard 8453 UV-VIS spektrofotometer z diodnim nizom
- AUTOLAB PGSTAT30 in EG&G PAR 273
potenciostat/galvanostat
MAJOR EQUIPMENT
- FT-IR spectrometer Bruker IFS 66/S
- FT-IR and FT-Raman spectrometer Perkin
Elmer 2000
- Spectrometer Lambda 950 UV/VIS/NIR
- DISPERMAT CN10-F2, VMA-GETZMANN
GMBH
- Hewlett-Packard diode arrey 8453 UV-VIS
spectrophotometer
- UV laboratory dryer AKTIPRINT L 10-1
(laboratorijski UV su{ilnik)
- AUTOLAB PGSTAT30 and EG&G PAR 273
potentiostat/galvanostat
IZOBRA@EVANJE IN OBISKI / GOSTOVANJA
- Bo{tjan Japelj: Nanokompozitne hidrofobne,
oleofobne in abrazijsko odporne prevleke iz
organskih-anorganskih hibridov, doktorska
disertacija (mentor: B. Orel);
- DISPERMAT CN10-F2, VMA-GETZMANN
GMBH
- UV laboratory dryer AKTIPRINT L 10-1
- Sa{a Aramba{i}: Priprava vodoodbojne
apreture po sol-gel postopku, diplomsko delo
(ko-mentor: B. Orel);
- Bo{tjan Japelj: Nanocomposite hydrophobic,
oleophobic and abrasion resistant coatings
from organic-inorganic hybrids, Ph.D. dissertation (mentor: B. Orel);
- Quentin Minetti, Polytech’ Grenoble, Joseph
Fourier University, Francija: 3 mese~no delo v
L02 v okviru izmenjave Erazmus;
- Sa{a Aramba{i}: Preparation on water repellent finishing by sol-gel process, B. S. thesis
(co-mentor: B. Orel);
- Alan Jung, Polytech’ Grenoble, Joseph Fourier
University, Francija: 3 mese~no delo v L02 v
okviru izmenjave Erazmus;
- Quentin Minetti, Polytech’ Grenoble, Joseph
Fourier University, France: 3 months work in
L02 in the frame of Erazmus student exchange;
- Martin Malec: Vpliv UV-svetlobe na su{enje
odtisov v ofsetnem tisku na plo~evino:
diplomsko delo (somentorica M. Klanj{ek
Gunde).
- Alan Jung, Polytech’ Grenoble, Joseph Fourier
University, France: 3 months work in L02 in
the frame of Erazmus student exchange;
- Martin Malec: Influence of UV light on drying of prints in offset print on a sheet metal:
B. S. thesis (co-mentor: M. Klanj{ek Gunde).
53
54
Laboratorij za kemometrijo
Laboratory of Chemometrics
L03
prof. dr. Jure Zupan
doc. dr. Marjan Vra~ko
dr. Neva Gro{elj (do 15. decembra 2008/ till
December 15th)
doc. dr. Marjan Tu{ar
dr. Natalja Fjodorova
prof. dr. Milan Randi} (4 mesece / months)
MLADI RAZISKOVALCI /
YOUNG RESEARCHERS
mag. [pela @uperl
Viktor Drgan
Nikola Minovski
VODJA / HEAD
doc. dr. Marjana Novi~
RAZISKOVALCI NA PO-DOKTORSKEM
DELU IZ TUJINE / YOUNG POST-DOC
SCIENTISTS FROM ABROAD
dr. Aneta Boèna Jezierska (11 mesecev /
months)
dr. Jaroslaw Panek (1 mesec / month)
55
PODRO^JA DEJAVNOSTI
- Uvajanje kemometrije, to je uporabe {iroke
palete matemati~nih, statisti~nih in ra~unalni{kih metod za re{evanje kemijskih
problemov, v raziskovalno in razvojno prakso;
RESEARCH ACTIVITIES
- Introduction of chemometrics, i.e., mathematical, statistical and computational methods for solving chemical problems, to the
applicative and research laboratories;
- modeliranje kemijskih lastnosti in procesov
na podro~ju QSAR {tudij in iz podatkov, ki jih
dobimo s sklopljenimi analiznimi tehnikami;
- Modelling of chemical properties and processes in QSAR studies and modelling of data
acquired from the hyphenated analytical
techniques;
- uveljavljanje metod umetnih nevronskih mre`
v kemiji; {tudij strategij u~enja nevronskih
mre` in razvijanje ustreznih ra~unalni{kih
programov;
- raziskave na podro~ju matemati~ne kemije:
uporaba diskretne matematike v strukturni
kemiji, v QSAR {tudijah, v proteomiki in
genomiki;
- {tudij algoritmov in razvoj programskih
paketov;
- uporaba kemometri~nih metod v analizni
kemiji: zagotavljanje in kontrola kakovosti
(QA/QC);
- raziskave 3D reprezentacij kemijske strukture
za uporabo v QSAR;
56
- Application of the artificial neural network
methods in chemistry, study of various ANN
learning techniques and development of the
corresponding computer software;
- Research in the field of mathematical chemistry: the application of discrete mathematics in structural chemistry, in QSAR studies,
in proteomics and genomics;
- Study of various algorithms and the development of the computer software;
- Application of chemometrics methods in the
analytical chemistry for quality control and
quality assurance (QA/QC);
- Research of 3D structural representations for
QSAR;
- izobraèvanje na podro~ju kemometrije: v
sodelovanju z Univerzo v Ljubljani in Univerzo
v Mariboru na dodiplomskem in podiplomskem nivoju;
- Education in chemometrics in collaboration
with the University of Ljubljana and the University of Maribor, Slovenia on the pre- and
post-graduate levels;
- izobraèvanje in prenos znanja med raziskovalnimi skupinami v raznih dràvah preko
evropskih projektov v Marie Curie
izobraèvalnih mreàh.
- Education and knowledge transfer between
research groups in several countries on the
basis of the EU projects within Marie Curie
training networks.
BIBLIOGRAFIJA
2 pregledna znanstvena ~lanka
1 strokovni ~lanek
1 samostojni znanstveni sestavek ali
poglavje v monografski publikaciji
3 intervjuji
konferencah
1 magisterij
1 uredni{tvo revije
BIBLIOGRAPHY
2 Review Articles
1 Professional Article
1 Independent Scientific Component Part
in a Monograph
3 Interviews
1 Master’s Thesis
1 Journal Editorship
DOSE@KI V LETU 2008
- V letu 2008 smo sodelavci Laboratorija za
kemometrijo rezultate raziskav predstavili v
18 izvirnih ter dveh preglednih znanstvenih
~lankih, v enem strokovnem ~lanku in v enem
poglavju v monografiji. O svojem delu smo
poro~ali v 25 prispevkih na mednarodnih
znanstvenih konferencah. Sodelujemo z ve~
tujimi univerzami, med drugim smo del
raziskav kemometrijskih metod, ki jih
razvijamo, predstavili s predavanji na Univerzi
v Trstu, Italija, ter na Radboud Univerzi v
Nijmegenu, Nizozemska. Vsebina objavljenih
del izkazuje dose`ke na podro~ju, definiranem v raziskovalnem programu Modeliranje relacij med kemijsko strukturo in
lastnostjo snovi - QSAR – QSPR. Za seznanjanje javnosti z na{imi raziskavami smo
poskrbeli s tremi intervjuji v medijih. Med
drugim je bila ena raziskovalka nominirana
ACHIEVEMENTS IN 2008
- In 2008 the research work of the researchers from the Laboratory of chemometrics is
represented in 18 original scientific papers,
in one technical paper, and in one book chapter. We reported about our research in 25
contributions at the international scientific
conferences. We collaborate with several
universities; among others we presented our
research on the development of chemometrics methods at the University of Trieste,
Italy, and at the Radboud University of
Nijmegen, the Netherlands. The content of
the published papers shows the achievements in the field defined in the research
program “Modelling of structure–property
relationships – QSAR–QSPR”. To provide the
public with the information about our research work, we gave three interviews in the
media. One researcher was nominated for
57
za izbor znanstvenice leta, ki ga pod okriljem
farmacevtske dru`be Krka organizira revija
Jana.
- Pomemben del raziskav se je vklju~eval v
evropski projekt v okviru Marie Curie Network
(IBAAC, an Integrated Biomimetic Approach
to Asymmetric Catalysis), ki se je zaklju~il v
prvi polovici leta 2008. Cilj na{ega sodelovanja v projektu IBAAC je bil optimizacija
katalizatorjev za asimetri~no kemijsko sintezo
v okolju, ki simulira biolo{kega. Kemogeneti~ni pristop je bil uporabljen za
strukturno optimizacijo katalizatorja, ki bi
vodila k ve~ji aktivnosti in selektivnosti.
Kemijska modifikacija koencima in genetska
modifikacija gostiteljskega proteina je
rezultirala v velikem naboru hibridnih
katalizatorjev. Raziskovalna mreà IBAACa je
obsegala 10 partnerjev iz 6 evropskih dràv
(8 akademskih in 2 industrijska partnerja). O
rezultatih smo poro~ali na zaklju~nem
sestanku v Parizu konec marca. Na{e poro~ilo
je obsegalo rezultate {tiriletnega sodelovanja
v IBAAC projektu, predstavitev je bila
naslovljena “Kemoinformacijski prispevek k
integriranemu biomimeti~nemu pristopu k
asimetri~ni katalizi”. Rezultate smo objavili v
2 ~lankih in poro~ali v 4 prispevkih na
konferencah (CAC – Montpellier, Francija in
SKD – Maribor).
- Sodelovanje v IBAAC EU projektu je pripomoglo k navezovanju stikov in utrjevanju
povezav s tujimi akademskimi in industrijskimi
partnerji, kar nam je omogo~ilo sodelovanje
pri predlogu novega EU projekta (BioChemLig) v okviru “Marie Curie Initial Training Networks (ITN)”. Projekt je bil odli~no
ocenjen in je predlagan za financiranje z
za~etkom leta 2009.
- Vpetost v evropski projekt TRACE, ki je bil
zastavljen kot integriran projekt od vzor~evanja zemlje in hrane do kemijske analize in
statisti~ne obdelave podatkov, nam je
omogo~ila vpogled in dostop do mnoìce
analiznih podatkov, s pomo~jo katerih smo
58
the selection of the scientist of the year, which
was organised by the journal Jana under the
sponsorship of the pharmaceutical company
Krka d.d., Novo mesto, Slovenia.
- An important part of the research work was
connected to the project in the Marie Curie
Training Network scheme (IBAAC, Integrated
Biomimetic Approach to Asymmetric Catalysis), which was accomplished in the first half
of the year 2008. The goal of our collaboration in IBAAC was to optimize the catalysts
for asymmetric chemical synthesis in the environment mimicking the biological systems.
The chemogenetic approach was used to
optimize the chemical structure of the catalyst to obtain higher activity and selectivity.
The chemical modification of the coenzyme
and the genetic modification of the host protein resulted in a large library of hybrid catalysts. The IBAAC research network encompassed 10 partners from 6 EU countries (8
academic and 2 industrial partners). We reported our results at the finall meeting in
Paris, France in March 2008. Our report included the results of the 4 year collaboration
in the IBAAC project, the presentation was
entitled with “Chemoinformatics contribution
to the integrated biomimetics approach towards asymmetric catalysis”. In 2008 the results were published in two papers and reported in four contributions at the scientific
conferences (CAC – Montpellier, France and
SKD – Maribor, Slovenia).
- From the collaboration in the IBAAC project
we obtained new connections with the European scientific and industrial laboratories,
consequently we were invited into a new EU
project (BioChemLig) proposed in the call FP7PEOPLE-ITN-2008. The project obtained excellent evaluation scores and is proposed for
financing in 2009.
- Involvement in the European project, TRACE,
which was set as an integrated project - from
the sampling of soil and food towards chemical analysis and statistical processing of data,
dopolnjevali in testirali orodje na osnovi
umetnih nevronskih mre` v MATLAB okolju
(TRACE_ANN). O rezultatih smo poro~ali na
osmem in devetem zaklju~nem sestanku
WP6-TRACE projekta marca 2008 v Nijmegenu na Nizozemskem in septembra 2008 v
Bruslju v Belgiji ter na konferencah v
Montpellier-ju v Franciji (CAC) in v Verbanii v
Italiji (MATH/CHEM/COMP 2008). Posebej
velja omeniti, da smo na zaklju~nem sestanku
WP6 partnerji podrobno pregledali,
dopolnjevali in oblikovali kon~ni dokument
(D6.6) z glavnimi rezultati in zaklju~ki na{ih
raziskav v okviru TRACE projekta. Naslov
dokumenta je „Sledenje proizvodov hrane v
Evropi – Kvaliteta in varnost hrane –
Postavljanje specifikacij in ocena ustreznosti”.
Obsega preko 100 strani in skupaj s priro~nikom (preko 120 strani) za delo s programskim paketom, razvitim za TRACE partnerje,
predstavlja temeljit pregled doseènih
rezultatov, ki jih omogo~ajo integrirani
evropski projekti.
- Nadaljevali smo delo na evropskim projektu
CAESAR (Computer-Assisted Evaluation of
industrial chemical Substances According to
Regulations). S pomo~jo javno dostopnih baz
in literarnih virov smo zbrali podatkovno bazo
karcinogenih spojin in naredili modele za
klasifikacijo (+/-) karcinogenih spojin. Poleg
tega smo naredili primerjalno {tudijo
predpisov in meril za oceno toksi~nosti v EU,
Rusiji in v ~lanicah OECD, kar smo objavili v
dveh preglednih ~lankih. O rezultatih smo
poro~ali na konferencah v Rigi, Latvija (NBC
2008 “14th Nordic-Baltic Conference on Biomedical Engineering), v Syracuse, ZDA (13.
sre~anje QSAR in okoljske vede) in na internih
CAESAR sre~anjih v Yorku (Anglija) in v Berlinu
(Nem~ija).
- Delo na industrijskem projektu s podjetjem
IMS-ADITOIL d.o.o., Trzin; je potekalo v skladu
s pogodbo {t. 120/06-L03 o dolgoro~nem
sodelovanju na podro~ju raziskav in razvoja
nizko temperaturnih bitumnov in asfaltnih
facilitated us with an insight and access to a
large amount of analytical data, which we
have used to accomplish and test our tool
for the artificial Neural networks developed
in the MATLAB environment (TRACE_ANN).
The results we reported at the eighth and
ninth-closing meeting of WP6-TRACE project
in March 2008 in Nijmegen, the Netherlands,
and in September 2008 in Brussels, Belgium.
In addition we reported at conferences in
Montpellier, France (CAC 2008), and in
Verbania, Italy (MATH / CHEM / COMP 2008).
Especially noteworthy is the tedious detailed
review and corrections of the final document
(D6.6) with the main results and conclusions
of our research in the context of the TRACE
project that we had at the closing meeting
of WP6 partners. The title of the document
is “Tracking of food products in Europe Quality and Food Safety - Setting the specifications and assessment”. It includes over 100
pages and, together with the manual for the
software package (over 120 pages), developed for TRACE partners, represents a thorough review of the results achieved in this
integrated European project.
- We continued the work on the EU project
CAESAR (Computer-Assisted Evaluation of
industrial chemical Substances According to
Regulations). With the help of publicly available databases and literature sources, we
compiled a database of carcinogenic compounds and developed the models for the
classification (+/-) of carcinogenic compounds. In addition, we have made comparative studies of rules and criteria for the assessment of toxicity in the EU, Russia and the
OECD, which were published in two review
articles. The results we reported at the conference in Riga, Latvia (NBC 2008 “14th Nordic-Baltic Conference on Biomedical Engineering), in Syracuse, USA (13. meeting QSAR and
Environmental Sciences) and at the internal
CAESAR meetings in York (Great Britain) and
in Berlin (Germany).
59
zmesi. V okviru pogodbe sodelavci Kemijskega in{tituta opravljamo temeljne in
aplikativne raziskave, razvijamo analitske
metode, pripravljamo ekspertna mnenja,
pripravljamo skupaj z IMS-ADITOIL d.o.o.
projekte in predstavitve za strokovno javnost
o nizko temperaturnih bitumnih in asfaltnih
zmeseh. V letu 2008 smo o delu poro~ali na
mednarodni konferenci TRA (Transport Research Arena Europe 2008) v Ljubljani. Poleg
prispevka o uporabi nizkotemperaturnih
bitumnov smo rezultate predstavili v dveh
predavanjih na temo uporabe alternativnih
materialov v asfaltnih plasteh (jeklene arma-
- Work on an industrial project with a company IMS-ADITOIL d.o.o., Trzin, Slovenia; was
conducted in accordance with the contract
No. 120/06-L03 on long-term cooperation
in research and development of bitumen for
low temperature application of asphalt mixtures. As partners from the Chemical institute we do basic and applied research, develop analytical methods and prepare expert
opinions. Together with the IMS-ADITOIL
d.o.o we prepare projects and presentations
for the professional public about the lowtemperature bitumen and asphalt mixtures.
In 2008 we presented our work on an inter-
SLIKA 1:
Skladno prikazani strukturi kompleksov vanadija v
FIGURE 1:
Superimposition of the docked structure[VO(H2O)5]2+
streptavidinu ([VO(H2O)5]2+ (ball-and-stick) ⊂ WT Sav:
monomere A in D – shemati~na struktura prikazana
v svetlo modri barvi) in biotina v streptavidinu (biotin
(ball-and-stick representation) ⊂ WT Sav (monomers
A and D, light blue schematic secondary structure)
with the structure of biotin ⊂ WT Sav at pH ) 2.0
⊂ WT Sav pri pH 2.0 - PDB code 2IZG; biotin, rumene
pali~ice in rumena prosojna povr{ina; monomere A
in D, shemati~na sekundarna struktura v rumeni
barvi). ¢PORDEA A., CREUS M., PANEK J., DUBOC C.,
(PDB code 2IZG; biotin, yellow stick and yellow transparent surface; monomers A and D, yellow schematic
secondary structure). ¢PORDEA A., CREUS M., PANEK
J., DUBOC C., MATHIS D., NOVI^ M., WARD T.R. J.
MATHIS D., NOVI^ M., WARD T.R. J. Am. Chem. Soc.,
2008, 130, 8085-8088.¥
Am. Chem. Soc., 2008, 130, 8085-8088.¥
60
ture in `lindra). V oviru predavanj na TRA
konferenci smo predstavili tudi problematiko
razvoja receptur za nove tipe asfaltov. Princip
razvoja receptur za nove tipe asfaltov je bil
podrobneje predstavljen na Slovenskih
kemijskih dnevih v Mariboru. V sodelovanju
z ZAS (Zveza Asfalterjev Slovenije) smo
prispevali k izvedbi medlaboratorijske kro`ne
analize asfaltnih zmesi. Na pobudo ZAS-a
smo pripravili bro{uro s statisti~no ovrednotenimi rezultati kro`ne analize. Rezultate,
objavljene v bro{uri, smo predstavili strokovni
jevnosti na predavanju v okviru strokovnega
sre~anja Dan asfalterjev v Kranjski Gori.
- Z Univerzo v Trstu, Italija (Biophysics and
Macromolecular Chemistry BBCM) imamo
sporazum o dolgoro~nem sodelovanju.
Sporazum temelji na skupnih raziskovalnih
interesih Oddelka za biokemijo, biofiziko in
makromolekularno kemijo Univerze v Trstu
(profesorica dr. Sabina Passamonti) in
Laboratorija za kemometrijo KI (dr. Marjana
Novi~). V letu 2008 smo na osnovi skupnih
raziskav in skupnih na~rtovanih nadaljnjih
smeri pripravili dva predloga projektov –
enega na razpis INTERREG Italija-Slovenija in
enega na razpis ARRS. Mlada raziskovalka
[pela @uperl na osnovi rezultatov skupnih
raziskav pripravlja doktorsko disertacijo.
national conference TRA (Transport Research
Arena Europe 2008) in Ljubljana, Slovenia.
In addition to the use of low-temperature
bitumen, we were co-authors of the two lectures on the use of alternative materials in
the asphalt layers (steel armature and slag).
In frame of lectures at the TRA conference
we presented the problem of developing formulations for new types of asphalt mixtures.
Principle of the development of formulations
for new types of asphalt mixtures was presented in detail in the Slovenian Chemical
Days in Maribor, Slovenia. In partnership with
ZAS (Association of Slovenian Asphalters), we
contribute to the implementation of the
Round Robin interlaboratory test for asphalt
mixtures. At the initiative of ZAS-a, we have
prepared a brochure with the quantified results of the statistical analysis of the Round
Robin interlaboratory test. The results, published in the brochure, were presented to the
asphalt experts at the meeting Day of
asphalters in Kranjska Gora, Slovenia.
- Pod mentorstvom na{ih sodelavcev in v
sodelovanju z Univerzo v Ljubljani so trije
mladi raziskovalci nadaljevali doktorsko
izobraèvanje, vklju~ila pa se je tudi ena nova
podoktorska {tudentka, ki je vpisala doktorski
{tudij na Mednarodni podiplomski {oli IJS.
Prva mlada raziskovalka je opravila vse
{tudijske obveznosti in bo kon~ala z raziskovalnim delom po porodni{kem dopustu.
Ostali doktorandi opravljajo {tudijske in
raziskovalne naloge po predvidenem na~rtu.
- We have a formal agreement with the University of Trieste, Italy (Biophysics and
Macromolecular Chemistry BBCM, now renamed into the Department of Life Sciences
- DLS) about a long-term collaboration. The
agreement is based on the common research
interest between the group of Prof. S.
Passamonti and our laboratory. In 2008 we
prepared two common research proposals on
the basis of common research plans and interest, one for the INTERREG financing
scheme for enhancment Italian-Slovenian
bilateral collaboration, and one for the ARRS
call. One of our young researchers, [pela
@uperl, is preparing the PhD thesis including
a part of the results obtained in the collaboration with DLS.
KRATEK OPIS DELA IN REZULTATOV
Raziskave v letu 2008 so bile usklajene z
raziskovalnim programom P1-017, Modeliranje
relacij med kemijsko strukturo in lastnostjo snovi
- We offer mentorship to three PhD students
pursuing the PhD studies in our laboratory
in agreement with the Faculty of Chemistry
and Chemical Technology - University of
Ljubljana, Slovenia and Faculty of Pharmacy
61
- QSAR – QSPR. Zastavljeni cilji raziskovalnega
programa so mednarodno primerljivi in
raziskovalne usmeritve omogo~ajo {iritev
mednarodnih povezav in vklju~itev v evropske
in doma~e industrijske projekte. Na osnovi
ra~unskih modelov, ki popisujejo relacijo med
kemijsko strukturo in lastnostjo snovi, lahko
prispevamo k oceni strupenosti vseh spojin, ki
se spro{~ajo v okolje, in tako zmanj{amo
potrebo po poskusih na ìvalih. Teste, narejene
s pomo~jo ra~unskih modelov, imenujemo »in
silico«, glede na zahtevnost pa sledijo »in vitro«
ter »in vivo« testi. »In vitro« so laboratorijski testi
s pomo~jo kemijskih in biolo{kih reagentov,
medtem ko za »in vivo« teste potrebujemo
testne ìvali. Poleg tega, da so »in vivo« testi
dragi in ~asovno zamudni, so tudi eti~no sporni,
zlasti ko so v teste vklju~ene ìvali vi{jih zvrsti; v
veliko dràvah so testi na dolo~enih ìvalskih
vrstah è prepovedani. Alternativne ra~unalni{ke metode, tako imenovane QSAR
metode (Quantitative Structure - Activity Relationship), so torej zelo obetavne za napovedovanje toksi~nosti novih ali biolo{ko {e
netestiranih spojin, ker so cenej{e in hitrej{e od
standardnih metod in ne zahtevajo testnih ìvali.
Na tem podro~ju smo v letu 2008 objavili dva
pregledna ~lanka v ugledni znanstveni reviji
Journal of Environmental Science and Health,
Part C Environmental Carcinogenesis and
Ecotoxicology Reviews. Naredili smo primerjalno
{tudijo predpisov in smernic za oceno kemikalij
kot tudi mo`nost uporabe QSAR modelov za
regulatorne namene v dràvah OECD, EU in v
Rusiji. Pri pregledu stanja raziskav na tem
podro~ju so sodelovali na{i partnerji v okviru
EU projekta CAESAR ter sodelavci bilateralnega
projekta, ki ga imamo z ruskimi partnerji. Med
raziskave razli~nih modelov, ki so bile kon~ane
v lanskem letu, sodijo tudi (i) modeli za napoved
porazdelitve onesnaèvalcev zraka (ozon, NOx)
na osnovi okoljskih podatkov, zbranih v okviru
bilateralnega projekta z Argentino, (ii) modeli
za sledenje ponarejenega olivnega olja, ter (iii)
modeli za simulacijo lo~be analitov v ionski
kromatografiji.
62
of the same University. Additionally, one new
young researcher joined our group in 2008,
who began her studies at the Jo‘ef Stefan
International postgraduate school. One of the
PhD students finished all the study obligations and will complete her research work
after returning from the maternity leave. The
other PhD students continue with their study
and research work as scheduled.
SHORT DESCRIPTION OF RESEARCH AND
RESULTS
The research work in 2008 was consistent with
the research program P1-017, Modeling of relations between chemical structure and property of compounds - QSAR - QSPR. The objectives of the research program are internationally comparable, and the research directions
offer the possibility for strengthening of international links and involvement in European and
domestic industrial projects. Based on modeling, which describes the relation between
chemical structure and property of substances,
we can assess the toxicity of compounds that
are released into the environment, and thus
reduce the need for experiments on animals.
Tests made with the help of modeling, are called
“in silico”, while “in vitro” and “in vivo” tests
are more complex, time demanding and expensive, for the later ones the animals are sacrificed. “In vitro” tests are carried out in the laboratories with the help of chemical and biological reagents, while the “in vivo” tests need the
test animals. In addition, the “in vivo” tests are
ethically questionable, especially when the tests
include the species of higher animals – in many
countries this is already forbidden. Alternative
computational methods, the so-called methods of QSAR (Quantitative Structure - Activity
Relationship), are very promising for predicting
the toxicity of the new or biologically untested
compounds because they are cheaper and faster
than standard methods and do not require
animal testing. In this field we have in 2008
published two review articles in prestigious scientific journal, Journal of Environmental Science
Raziskave membranskega proteina bilitranslokaze (v sodelovanju z univerzo v Trstu) smo
nadaljevali s povdarkom na razvoju modela za
napovedovanje transmembranskih segmentov.
Delo je del tematike doktorskega projekta nove
mlade raziskovalke. Bilitranslokaza je protein,
ki je odgovoren za transport bilirubina in drugih
molekul skozi membrano v jetrnih celicah. V
preteklem obdobju smo è osvetlili na~in
interakcije flavonoidov z bilitranslokazo.
Ugotovili smo, da vezavna interakcija temelji na
sposobnosti tvorbe vodikovih vezi, kar zmanj{uje pomen interakcij nabitih delov molekule.
V nadaljevanju smo pripravili nov predlog
raziskovalnega projekta, ki bi se lotil re{evanja
3D strukture in mehanizma prenosa molekul
preko celi~ne membrane s pomo~jo bili translokazo s treh strani: (i) priprava podatkovne
baze transmembranskih segmentov proteinov
poznane 3D strukture, (ii) gradnja modela ter
eksperimentalna (NMR) potrditev strukture
napovedanih transmembranskih segmentov, ter
(iii) {iritev podatkovnega niza spojin, ki inhibirajo
bilitranslokazo, z nadgradnjo obstoje~ih
modelov ter iskanje in eventualno potrjevanje
hipotez mehanizma prenosa.
Raziskave na podro~ju teorije grafov prispevajo
v QSAR podro~je nove metode za opis strukture
molekul, med njimi tudi proteinov, ki so zaradi
svoje specifi~ne narave in velikosti obravnavani
druga~e kot majhne molekule. Na tem podro~ju
smo objavili rezultate v {tirih publikacijah in
poro~ali v dveh prispevkih na znanstvenih
konferencah. Nadaljevali smo z raziskavami
strukturnih reprezentacij proteinov (npr. 2D
reprezentacije na osnovi lastnosti gradnikov –
aminokislin v matriki sosednosti, ali reprezentacije na osnovi 20-dimenzionalnih vektorjev, glej bibliografijo), saj na tem podro~ju {e ni
na voljo veliko prostih ali komercialnih
programskih paketov, ki bi omogo~ali izra~une
takih strukturnih deskriptorjev.
Na podro~ju modeliranja kemijskih procesov
smo izpopolnili model, s pomo~jo katerega
lahko {tudiramo dogajanje na ionsko-izmenjevalni koloni ali napovedujemo rezultate realnih
and Health, Part C Environmental Carcinogenesis and Ecotoxicology Reviews. We made comparative studies of regulations and guidelines
for the assessment of chemicals as well as the
possibility of using QSAR models for regulatory
purposes in OECD countries, the EU and Russia. In reviewing the state of research in this
area our partners within the EU project Caesar
and the Russian partners of the SLO-RUS bilateral project carried out the part of the work
referring to their countries. Among the modelling results accomplished last year there are (i)
models for predicting the distribution of air
pollutants (ozone, NOx) on the basis of environmental data, collected within the framework
of bilateral project with Argentina, (ii) models
for tracking adulterated olive oil, and (iii) models for the simulation of analytes separation in
ion chromatography.
The research on bilitranslocase, the membrane
protein studied in collaboration with the University of Trieste, Italy, run on stressing the development of transmembrane segments predicting models. The work is part of the topic of
a doctoral project of a new young researcher.
Bilitranslocase is the protein, which is responsible for the transport of bilirubin and other
molecules through the membrane in liver cells.
In the past period we have already highlighted
the way how the flavonoids interact with
bilitranslocase. We found that the binding interaction is based on the ability of the formation of hydrogen bonds, which reduces the
importance of the interaction of charged molecules. In 2008 we have prepared a new proposal for a research project, which would address the resolution of 3D structure of
bilitranslocase and the mechanism of transport
of molecules across cell membranes assisted by
bilitranslocase. The proposed research would
approach to the problem from three sides: (i)
the preparation of the database of transmembrane segments of proteins with known 3D
structure, (ii) construction of the model and
experimental (NMR) confirmation of the structures predicted as transmembrane segments,
63
meritev (retencijske ~ase in/ali obliko kromatografskih vrhov). Delo je objavljeno v Journal
of Chromatography A. V letu 2008 smo
pripravili izpopolnitev algoritma za simulacijo
separacijskih procesov v ionsko-izmenjevalni
kromatografiji, ki nam omogo~a vpogled v
~asovno in prostorsko porazdelitev koncentracij
ionov analita in eluenta na kromatografski
koloni, omogo~a izra~une za vse analite ne
glede na kombinacijo nabojev analita in eluenta.
Industrijski projekt z IMS-ADITOIL d.o.o., Trzin,
nadaljujemo z raziskavami o nizko-temperaturnih bitumnih in asfaltnih zmeseh. V okviru
navedene pogodbe smo na Kemijskem In{titutu
v letu 2008 izvedli {tevilne naloge: (i) na
konferenci v Ljubljani (Transport Research Arena
Europe 2008) smo poleg uporabe nizkotemperaturnih asfaltov (“Low temperature asphalt trials in Slovenia and chemical analysis of
binders”) predstavili kemometri~ni pristop k
izdelavi asfaltnih receptur z uporabo alternativnih materialov v asfaltnih plasteh (“Evaluation of materials for road upgrading”, “Steel
slag from electric arc furnace as a high-quality
road-aggregate”; (ii) v Mariboru (Slovenski
kemijski dnevi 2008) smo poro~ali o kemometri~nem pristopu k izdelavi asfaltnih receptur
na podlagi funkcionalnih preiskav asfaltnih
zmesi (“Asfaltne recepture na podlagi funkcionalnih preiskav”); (iii) na Dnevu asfalterjev v
Kranjski gori pa smo s predavanjem ”Predstavitev kro`ne analize” poro~ali o statisti~no
ovrednotenih rezultatih kro`ne analize asfaltnih
zmesi, ki so zbrani v posebni bro{uri; (iv) Tudi
na 9. Slovenskem kongresu o cestah in prometu
smo predstavili uporabo alternativnih materialov v asfaltnih plasteh (“Obna{anje {ibkih
vozi{~nih konstrukcij med preiskavo s pospe{enim obremenjevanjem”).
V letu 2008 smo v okviru IBAAC EU projekta
dokon~ali kemoinformacijske kompleksne
raziskave sistema “Avidin/Streptavidin –
biotiniran ligand” ter rezultate objavili skupaj z
eksperimentalnimi izsledki {vicarskih partnerjev
v ugledni znanstveni reviji JACS. O rezultatih
64
and (iii) extension of a data set of compounds
that inhibit bilitranslocase, thus upgrading the
existing models and validating the hypotheses
of probable transfer mechanism.
Research based on the graph theory plays an
important role in the field of QSAR by providing new methods to describe the structure of
molecules, including proteins, which because
of their specific nature and size are treated differently from small molecules. In this area, we
published the results in four publications and
in two contributions at scientific conferences.
We continued to investigate the structural representations of proteins (eg, 2D representation
on the basis of the characteristics of the building blocks - amino acids in the adjacency matrix, or representation on the basis of 20-dimensional vectors, see the bibliography). This
is of our special interest, because in this area
there are not many free or commercial software packages available, which would allow
calculations of such structural descriptors.
In the field of modeling of chemical processes,
we refined the model which can be used to
study the distribution of ions in the ion-exchange columns, or predict the results of actual measurements (retention times and / or a
peak shape). The work was published in the
Journal of Chromatography A. In 2008 we prepared an upgrade of the algorithm for the simulation of separation processes in the ion-exchange chromatography, which gives us insight
into the temporal and spatial distribution of
concentrations of analyte and eluant ions on
the chromatographic column, enables us to
make calculations for all analytes regardless of
the combination of analyte and eluant charges.
Industrial project with IMS-ADITOIL d.o.o.,
Trzin, Slovenia, continued with the research on
low-temperature bitumen and asphalt mixtures. In the context of the contract we have
on the National Institute of Chemistry, Slovenia
in 2008 conducted a number of tasks: (i) at a
conference in Ljubljana (Transport Research
Arena Europe 2008), we present chemometrical
approach to the design of asphalt formulations
optimiranja dendrimerov kot okolja za
asimetri~no katalizo, ki je tudi plod sodelovanja s partnerji v IBAAC projektu, smo
poro~ali na znanstveni konferenci CAC v
Montpellierju v Franciji. V prvi od obeh {tudij
smo pri{li do pomembnega spoznanja o vlogi
metala (vanadija), ki se veè v vezavno mesto
biotina v streptavidinu, in spremeni encimsko
neaktivni protein v enantioselektivni biokatalizator oksidacije prokiralnih sulfidov.
Rezultirajo~i umetni metaloencim katalizira
enantioselektivno oksidacijo prockiralnih
sulfidov z dobro enantioselektivnostjo tako
za dialkil in alkil-aril substrate (do 93%
enantiomernega prese`ka). Vezavno mesto
vanadijevega iona je bilo dolo~eno s kemoinformacijsko {tudijo (docking) in potrjeno
eksperimentalno z elektronsko paramagnetno
resonan~no spektroskopijo.
TRACE projekt se je za na{o delovno skupino
konec leta 2008 zaklju~il. Izdelali smo
programski paket za statisti~no obdelavo
podatkov kemijske sestave tal in hrane, ki so
jih analizirali drugi partnerji projekta. Poleg
tega smo rezultate sistemati~ne obdelave
analiznih podatkov zbrali v kon~nem dokumentu z naslovom “Sledenje proizvodov hrane
v Evropi – Kvaliteta in varnost hrane –
Postavljanje specifikacij in ocena ustreznosti”.
CAESAR EU projekt nadaljujemo s QSAR {tudijami in gradnjo modelov za pet definiranih
podro~ij: karcinogenost, mutagenost, teratogenost, ko`na ob~utljivost in bio-akumulacijski
faktor. Poleg tega smo v na{i skupini naredili
primerjalne {tudije predpisov in meril za oceno
toksi~nosti v EU, Rusiji in v ~lanicah OECD.
Izsledke smo objavili v dveh preglednih ~lankih
v Journal of Environmental Science and Health:
Part C-Environmental Carcinogenesis &
Ecotoxicology Reviews.
SODELOVANJE Z INDUSTRIJO
- IMS-ADITOIL d.o.o., Trzin
POTENCIALNI INDUSTRIJSKI UPORABNIKI
- Razvojno naravnana farmacevtska
industrija;
with the use of alternative materials in the
asphalt layer (“Evaluation of materials for road
upgrading”, “Steel slag from electric arc furnace as a high-quality road-aggregate”), and
the low-temperature asphalt research (“Low
temperature asphalt trials in Slovenia and
chemical analysis of binders”), (ii) in Maribor
at Slovenian Chemical Days 2008 we reported
more detailed about chemometrical approach
to the design of asphalt formulations on the
basis of functional tests of asphalt mixtures
(“Asphalt formulation on the basis of functional test“), (iii) on meeting Day of asphalters
in Kranjska Gora, we gave the lecture “Round
Robin interlaboratory test for asphalt mixtures”. We presented statistically evaluated
results of Round Robin interlaboratory test for
asphalt mixtures, which were also published
in a special brochure, (iv) at the 9th Congress
of the Slovenian roads and transport, we presented the use of alternative materials in the
asphalt layer (“Behaviour of weak pavement
structures under the accelerated load testing”).
In 2008, we have completed the chemoinformatics research of the system »Avidin/
Streptavidin – biotinilated ligands« in the context of the EU project IBAAC. The results were
published together with the experimental results of the Swiss partners in the prestigious
scientific journal JACS. The results of the prediction model for optimization of the
dendrimers, the outcome of the collaboration with the second Swiss partner within
IBAAC, we reported at the scientific conference CAC in Montpellier, France. We still wait
for the experimental confimation of the predicted optimal stucture of dendrimers of
amino acids as an environment for the asymmetric catalysis with better enantiomeric excess. In the first of the two studies, we came
to the important insights on the role of metal
(vanadium), which binds to biotin binding site
in streptavidin and transforms a nonenzymatic protein into an enantioselective biocatalyst with synthetic utility. The resulting artifi65
- kmetijstvo in prehrambena industrija;
- gradbeni{tvo – asfaltne prevleke;
- laboratoriji za kontrolo in zagotavljanje
kvalitete v vseh vejah kemijske (in druge)
predelovalne industrije, v katerih lahko z
metodami na~rtovanja eksperimentov in
modeliranjem lastnosti ve~komponentnih
izdelkov bistveno skr~imo drago in teàvno
eksperimentalno delo ter tako pocenimo
izdelke in izbolj{amo njihovo kvaliteto.
Mednarodni projekti:
- projekt TRACE (FP6-2003-FOOD-2-A) (Tracing Food Commodities in Europe). (Contract
No. TRACE-IP-006942);
- projekt IBAAC (An Integrated Biomimetic
Approach to Asymmetric Catalysis) (Contract
No. MCRTN –CT-2003-505020);
- projekt CAESAR (Computer-Assisted Evaluation of industrial chemical Substances According to Regulations) (SSPI-022674);
- projekt COST D2 (New fluorous media and
processes for cleaner and safer chemistry);
- bilateralni projekt v okviru znanstvenotehnolo{kega sodelovanja med Republiko
Slovenijo in Republiko Makedonijo v letih
2007 in 2008 z naslovom Razvoj novih
kemometrijskih procedur in algoritmov za
{tudij relacij med kemijsko strukturo in
aktivnostjo spojin; nosilca: dr. Marjana Novi~
in dr. Igor Kuzmanovski;
- bilateralni projekt v okviru znanstvenoraziskovalnega sodelovanja med Republiko
Slovenijo in Zdruènimi dràvami Amerike v
letih 2008 – 2010 z naslovom “Ocena QSAR
modelov za poliaromatske ogljikovodike
(PAH) v lu~i OECD principov za validacijo
QSAR modelov in v lu~i nove evropske
zakonodaje REACH”; nosilca: dr. Marjan
Vra~ko in dr. Sol Bobst;
66
cial metalloenzyme catalyzes the enantioselective oxidation of prochiral sulfides with
good enantioselectivities both for dialkyl and
alkyl-aryl substrates (up to 93% enantiomeric
excess). The vanadil binding site was determined
by the chemoinformatics study (docking) and
confirmed experimentally by electron paragmagnetic resonance spectroscopy.
The participation of our working group for the
statistical evaluation of alytical data (WP6) has
completed the end of 2008. We have developed the software package for statistical evaluation of data on chemical composition of soil
and food commodities provided by the other
project partners. In addition, we have collected
the results of systematic data explorations in
the final document, entitled “Tracing food commodities in Europe - Quality and Food Safety Setting the specifications and compliance
ssessment”.
Caesar EU project is progressing with QSAR
studies and modelling for the five defined areas: carcinogenicity, mutagenicity, teratogenicity, skin sensitivity, and bio-accumulation factor. Additionally, we have made a comparative study of regulations and criteria for
assessment of toxicity in the EU, Russia and the
OECD. The findings were published in two review articles in Journal of Environmental Science and Health: Part C-Environmental Carcinogenesis & Ecotoxicology Reviews.
COLLABORATION WITH THE INDUSTRY
- IMS-ADITOIL d.o.o., Trzin, Slovenia
POTENTIAL INDUSTRY PARTNERS
- Development-oriented pharmaceutical industry;
- Construction - asphalt layers;
- Quality assurance and quality control laboratories in all branches of the chemical, pharmaceutical and other kind of secondary industry, in which the application of experimental design, modelling and optimization techniques can reduce the expensive and tedious
Slovenijo in Tur~ijo v letih 2009 - 2011 z
naslovom QSAR modeliranje toksi~nosti na
osnovi izmerjene vodne toksi~nosti za
mikroalge dunaliella tertiolecta. Nosilca sta
dr. Marjan Vra~ko in prof. dr. Melek Sacan;
Slovenijo in Rusijo v letih 2008 – 2009 z
naslovom “QSAR modeliranje karcinogenosti
kemijskih spojin z vidika varstva okolja in
varovanja zdravja ljudi” (QSAR modeling of
carcinogenicity potency for regulatory use).
Nosilca sta dr. Marjan Vra~ko in prof. dr. Pavel
D’yachkov, klju~na sodelavka je v okviru L03
dr. Natalja Fjodorova.
POMEMBNEJ[I IN[TRUMENTI IN DRUGA
OPREMA
- Ra~unalni{ka u~ilnica s 30 sedeì in 16
osebnimi ra~unalniki;
- DIONEX-DX500 ionski kromatograf z novim
avtomatskim vzor~evalnikom.
Kot vsako leto smo tudi letos povabili na
{tirimese~ni delovni obisk profesorja Milana
Randi}a, uveljavljenega raziskovalca na
podro~ju teorije grafov. @e vrsto let je zunanji
sodelavec na{e programske skupine. V letu
2008 smo za obisk profesorja Randi}a dobili
dodatna sredstva za (so)financiranje uveljavljenih raziskovalcev iz tujine. Prof. Randi} s
svojimi prispevki na podro~ju teorije grafov in
njene uporabe v ra~unalni{ki kemiji bistveno
prispeva k promociji Kemijskega in{tituta in
razvoju znanosti v Sloveniji. V sodelovanju s
profesorjem Randi}em smo se vklju~ili v
raziskave, ki povezujejo matemati~no kemijo z
najnovej{imi spoznanji na podro~ju genomike
in proteomike.
Naslednji raziskovalci iz tujine so vsaj en mesec,
nekateri tudi celo leto, delali v na{em laboratoriju:
- dr. Igor Kuzmanovski je v okviru bilateralnega
projekta med dvomese~nim bivanjem v
experimental work and thus lower the prize
and improve the quality of products.
International projects:
- project TRACE (FP6-2003-FOOD-2-A) (Tracing Food Commodities in Europe). (Contract
No. TRACE-IP-006942);
- project IBAAC (An Integrated Biomimetic
Approach to Asymmetric Catalysis) (Contract
No. MCRTN –CT-2003-505020);
- project CAESAR (Computer-Assisted Evaluation of industrial chemical Substances According to Regulations) (SSPI-022674);
- project COST D2 (New fluorous media and
processes for cleaner and safer chemistry);
- bilateral projects in the frame of Scientific and
technological cooperation between Slovenia
and Macedonia for the period 2007 and 2008
entitled “Development of New Chemometric
Procedures and Algorithms for Quantitative
Structure-Activity Relationships Studies”. Principal investigators: Dr. Marjana Novi~ and Dr.
Igor Kuzmanovski;
- bilateral project in the framework of scientific between Slovenia and Unites States of
America in the years 2009 – 2011, entitled
“Evaluation of QSAR models for the polyaromatic hydrocarbons (PAHs) in light of the
OECD principles for validation of QSAR models within the new EU legislation REACH”.
Principal investigators: Dr. Marjan Vra~ko and
Dr. Sol Bobst;
- bilateral project in the framework of the scientific research cooperation between the
Republic of Slovenia, and Turkey in the years
2009 - 2011 on “QSAR modeling of toxicity
on the basis of the measured aquatic toxicity
Microalga dunaliella tertiolecta”. Principal
investigators: Dr. Marjan Vra~ko and Prof. Dr.
Melek Sacan;
- bilateral project in the framework of the scientific research cooperation between the
Republic of Slovenia and Russia in the years
67
na{em laboratoriju kon~al raziskavo optimiranja faktorjev vpliva posameznih spremenljivk v napovednih modelih inhibicije HIV1 proteaze;
- dr. Jaroslaw Panek je v za~etku leta 2008
kon~al delo, ki ga je za~el kot IBAAC
{tipendist. Rezultati so objavljeni v uglednih
revijah JACS in poslani v objavo v Journal of
molecular modeling;
- dr. Aneta Boèna Jezierska je v na{egem
laboratoriju kot podoktorska raziskovalka eno
leto raziskovala QSAR modeliranje in biomolekularno dinamiko. Delno je bila financirana s strani EU projekta CAESAR;
- dr. Pavel D’yachkov in dr. Nina Kharchevnikova
sta opravila dvotedenski obisk v okviru
bilateralnega projekta z Rusijo.
Sodelavec Marjan Vra~ko je na Fakulteti za
kmetijstvo Univerze v Mariboru predaval o
“Metodah umetne inteligence v kmetijstvu”.
Tematika predmeta obsega modeliranje za
ugotavljanje izvora hrane (tukaj smo pridobili
precej izku{enj pri projektu TRACE), ra~unalni{ko napovedovanje pridelka glede na
naravne okoli{~ine in ra~unalni{ko modeliranje
toksi~nosti biocidov.
Sodelujemo tudi v dodiplomskem in podiplomskem {tudijskem programu kemometrije
Fakultete za kemijo in kemijsko tehnologijo
(FKKT) Univerze v Ljubljani: “Kemometrija v
analizni kemiji”; na podiplomskem {tudiju s
predmetom podobne vsebine v podiplomskem
{tudiju kemije na FKKT Univerze v Ljubljani,
podiplomskem {tudiju okoljske kemije na
Fakulteti za gradbeni{tvo Univerze v Ljubljani
in na diplomskem in podiplomskem {tudiju na
Fakulteti za kmetijstvo Univerze v Mariboru.
V lanskem letu smo bili sodelavci L03 mentorji
ali komentorji {tirim doktorandom. Vsi
opravljajo svoje doktorske raziskave v L03.
Pomembno je tudi delovno mentorstvo pri
diplomah, magisterijih in doktoratih, kjer
sodelujemo z ve~ slovenskimi univerzami. V letu
2008 je bil sodelavec Marjan Vra~ko komentor
pri magistrski nalogi Ur{ke Cvelbar z naslovom
68
2008 - 2009, entitled “QSAR modeling of
carcinogenic potency for regulatory use”.
Principal investigators: Dr. Marjan Vra~ko and
Prof. Dr. Paul D’yachkov, a key collaborator
in the context of L03 Dr. Natalja Fjodorova.
IMPORTANT INSTRUMENTS
- Computer supported class-room with 30
seats and 16 PCs;
- DIONEX-DX500 ion chromatograph with
new auto sampler.
In 2008 Prof. Milan Randi} visited our Laboratory for four months. Prof. Randi}, an outstanding scientist in the filed of graph theory and
computational chemistry, is a co-worker of our
group since many years. In 2008 his staying
was supported by the grant: (Co)financing of
distinguished scientists from abroad. Prof.
Randi} contributed an essential part in promotion of National Institute of Chemistry and promotion of science in Slovenia as well. In
colaboration with him we started the research
that links mathematical chemistry and newly
discovered facts in genomics and proteomics.
Following scientists visited our lab for short or
long visits:
- Dr. Igor Kuzmanovski worked two month in
a framework of bilateral project between
Slovenia and Macedonia. He completed his
research on optimizing of impact factors of
descriptors in models for prediction of inhibition constants of HIV-1 proteaze.
- Dr. Jaroslaw Panek completed his work in the
framework of IBAAC project. Results were
published in JACS and in Journal of Molecular Modeling (submitted). His staying was in
part supported by IBAAC.
- Dr. Aneta Boèna Jezierska worked a year as
postoc on QSAR modeling and molecular
dynamics. Her staying was in part supported
by CAESAR.
- Dr. Pavel D’yachkov and Dr. Nina Kharchevnikova spent two weeks in our Labora-
“Mo`nosti uporabe nevronskih mre` in
vizualizacije slik za zgodnjo napoved pridelka
jabolk”, ki je bila opravljena in uspe{no
zaklju~ena na Fakulteti za kmetijstvo, Univera v
Mariboru.
tory in the framework of bilateral project
between Slovenia and Russian Federation.
At the Faculty of Agriculture of University of
Maribor, Slovenia, Dr. Marjan Vra~ko lectured
on the subject “The methods of artificial intelligence in agricultural management”. The
topics of the subject are: modeling of data
concerning the food origin and traceability
(here, we have acquired considerable experience in project TRACE), a computer prediction of harvest, and the QSAR modeling of
toxicity of biocides.
We are involved in lecturing on under-graduate level at the Faculty for Chemistry and
Chemical Technology of University of Ljubljana,
Slovenia in the subject “Chemometrics in analytical chemistry”, on post-graduate level of
the same faculty in similar subject, on postgraduate level at the Faculty of Civil Engineering in the topic environmental chemistry, and
on pre-graduate and post-graduate level at
the Faculty of Agriculture of University of
Maribor, Slovenia.
In 2008 we supervised four doctoral candidates, who are employed in the L03. Besides,
we acted as co-supervisors of doctoral candidates employed in other institutions. Marjan
Vra~ko was a co-supervisor of Ur{ka Cvelbar,
who made her MSc work at the Faculty of
Agriculture of University of Maribor, Slovenia.
69
Letno poro~ilo 2008
Annual report 2008
70
Laboratorij za analizno kemijo
Analytical Chemistry Laboratory
L04
MLADI RAZISKOVALCI / YOUNG RESEARCHERS
Mersida Janeva
Darja Kotnik
Lea Mauko (do maja / till May)
Marija Slavec (do junija / till June)
Hanna I. Sopha (od oktobra / from October)
Nu{a Verbi~
Breda Novak
Lidija @ivec (polovi~ni delovni ~as / part time)
Barbara Feren~ak (do novembra / till November)
Vesna Lenar~i~
VODJA / HEAD
dr. Boìdar Ogorevc
dr. Michael P. Beeston
dr. Bojan Budi~
dr. Johannes T. van Elteren
dr. Irena Grgi}
dr. Samo Ho~evar
dr. Vasko Jovanovski
dr. Milko Novi~
dr. Vid S. [elih
[TUDENTI - PRAKTIKANTI / STUDENT
PLACEMENTS (6 mes. / months)
Alenka Okr{lar (do marca / till March)
Suzana Bo{kovi~ (do marca / till March)
Elena Arsova (od oktobra / from October)
Petra Verbinc (od oktobra / from October)
Jure Triglav (avgust-september / August-September)
Marjana @nidar (do februarja / to February )
Barbara Feren~ak (do marca / to March)
Sabina Matja{ec (do februarja / to February)
Alenka Okr{lar (od oktobra/ from October)
Suzana Bo{kovi~ (od oktobra / from October)
71
PODRO^JA DEJAVNOSTI
Podro~je raziskovalne dejavnosti Laboratorija za
analizno kemijo je analitika in kemijska
karakterizacija materialov in procesov, ter
obsega {tudij in razvoj sodobnih analiznih
metodologij in orodij za analitiko (sledov)
elementov ter karakterizacijo kemijskih zvrsti
elementov in spojin pri re{evanju okoljskih,
biomedicinskih, atmosferskih, industrijskih idr.
problematik. Strokovna znanja in izku{nje
~lanov Laboratorija za analizno kemijo so zelo
{iroke in pokrivajo med drugim podro~ja kot
so: analizna elektrokemija, mikro-elektrode in
(bio)senzorji, sklopljene analizne tehnike (npr.
teko~inska kromatografija in laserska ablacija v
povezavi z ICP-masno spektrometrijo), ionska
kromatografija, kemijski procesi v atmosferski
vodni fazi, vzor~evanje in karakterizacija
atmosferskih aerosolov (po velikostnih frakcijah), ICP- masna in opti~na emisijska spektrometrija, priprava vzorcev (npr. razklop v
mikrovalovni pe~i in sekven~na/selektivna
ekstrakcija), sinteza novih detekcijskih in
separacijskih materialov itd. V na{e raziskovalno
delo so vklju~eni tudi podiplomski {tudenti,
podoktorski gostje in specializanti.
Dejavnost Laboratorija za analizno kemijo
zajema tudi pogodbeno delo in storitve za
72
RESEARCH ACTIVITIES
The Analytical Chemistry Laboratory’s field of
research is analytics and chemical characterization of materials and processes and encompasses the study and development of modern
analytical methodologies and tools for (trace)
analysis and chemical speciation of elements
and compounds to solve selected problems in
environmental, biomedical, atmospheric, industrial, etc. related topics. The analytical expertise of the research team is very broad and covers amongst others analytical electrochemistry,
micro-electrodes and (bio)sensors, hyphenated
techniques (such as liquid chromatography and
laser ablation interfaced with ICP-mass
spectrometry), ion chromatography, chemical
processes in atmospheric aqueous phase, sampling and characterization of size-segregated
atmospheric aerosols, ICP- mass and optical
emission spectrometry, sample preparation (e.g.
MW-assisted digestion and sequential/selective
extraction), synthesis of novel detection and
separation materials, etc. We also educate and
supervise post-graduate students and post-doctoral guest fellows.
The activities of the Analytical Chemistry Laboratory also include contract work and special
analytical services for industrial and other part-
neposredne industrijske in druge partnerje, kar
vklju~uje razvoj in izbolj{ave metod ter analize
vseh vrst vzorcev (okoljskih, industrijskih,
biolo{kih, farmacevtskih idr.) in dolo~evanje vseh
elementov periodnega sistema, kot tudi
nekaterih anorganskih in organskih ionov.
Ve~ informacij na na{i spletni strani: http://
www.ki.si/raziskovalne-enote/l04-laboratorijza-analizno-kemijo/
ners with an emphasis on the development and
adaptation of methods and analysis of all kind
of samples (e.g. environmental, industrial, biological, pharmaceutical, etc.) and determination of practically all elements of the periodic
table as well as many inorganic and organic
ions.
More information is available at: http://
www.ki.si/index.php?id=184
BIBLIOGRAFIJA
2 samostojna znanstvena sestavka ali
poglavja v monografskih publikacijah
3 objavljeni znanstveni prispevki na
konferencah
2 prispevka na konferencah brez natisa
4 elaborati, pred{tudije, {tudije
1 magisterij
1 doktorat
BIBLIOGRAPHY
2 Independent Scientific Component Parts
in Monographs
4 Treatises, Preliminary Studies, Studies
1 Master’s Thesis
1 Doctoral Dissertation
- Prvi doslej smo nazorno pokazali dolo~evanje
multi-elementne masne koncentracije v
aerosolskih trdnih delcih industrijskega in
urbanega izvora, vzor~enih po velikostnih
razredih, z uporabo laserske ablacije povezane z ICP-MS elementno detekcijo. Pri tem
smo s pomo~jo posebnega programskega
paketa za slikovno analizo izdelali pristop za
ustrezno povr{insko oslikovanje. V nasprotju
z uporabo linijske ali kraterske laserske
ablacije (sklopljene z ICP-MS), ki je citirana v
literaturi, smo ugotovili, da z abliranjem
celotnega aerosolskega mikro-depozita (t.i.
mapiranjem, Slika 1) lahko obravnavamo
artefakte, ki nastanejo med vzor~evanjem s
kaskadnim impaktorjem. Izdelana metoda je
dovolj ob~utljiva tudi za dolo~evanje elementov v nano-delcih.
- The elemental mass loading in size-segregated aerosol particles from industry-influenced or urban areas was demonstrated for
the first time using a laser ablation ICP-MS
mapping approach in combination with image analysis software (Figure 1). Contrary to
the use of single line or crater laser ablation
ICP-MS as sometimes practiced in the literature it was found that whole-spot laser ablation ICP-MS could deal with sampling artefacts (distorted spots) and was sufficiently
sensitive to measure elements in nanoparticles.
- Razvili in izdelali smo poseben vzor~evalni
sistem za meritve delcev po velikosti pod
ekstremnimi pogoji, npr. direktno na izvoru
- A special sampling system for measurements
of size segregated solid particles under extreme conditions, e.g. directly at the source
of emission. was designed and constructed.
The central part of this system is a low-pressure cascade impactor with ten collection
stages for the size ranges between 15 nm
and 16 µm. Its capability and suitability was
73
emisij. Osnova sistema je nizko-tla~ni
kaskadni impaktor, ki zbira delce glede na
njihov aerodinamski premer v 10 velikostnih
razredov (med 15 nm in 16 µm). Njegovo
sposobnost in ustreznost smo uspe{no
testirali z vzor~evanjem delcev na/v dimniku
(pri 100 °C) termoelektrarne v Sloveniji. Z
uporabo na{ega novega vzor~evalnega
sistema smo pokazali, da je vzor~evanje
aerosolov po velikostnih razredih, ki mu sledi
elementna analiza, zelo pomembno pri
ugotavljanju izvora delcev.
- Poglavje “Metals in Aerosols” v znanstveni
monografiji z naslovom “Environmental
Chemistry of Aerosols”, ugledne mednarodne
zalo`be Blackwell, podaja pregled znanja na
podro~ju aerosolov, v katere so vklju~ene tudi
kovine. Poglavje zajema vse od izvora,
fizikalnih in kemijskih lastnosti ter poznavanja
reaktivnosti in interakcij kovin v aerosolih v
atmosferi. Nova knjiga bo sluìla kot ugledna
in prakti~na referenca znanstvenikom s
podro~ja raziskav zemljine atmosfere, kakor
tudi kot uporabna literatura za podiplomske
{tudente.
- Razvili smo nov analizni postopek, ki je
osnovan na sklopitvi teko~inske kromatografije in masne spektrometrije z induktivno sklopljeno plazmo (HPLC-ICP-MS).
Postopek temelji na lo~bi ionskih parov s
kromatografijo ter hkratno kontinuirno
zaznavo fosforjevih spojin prek elementnospecifi~ne detekcije fosforja z ICP-MS. Metodo
smo uspe{no uporabili v {tudiji tvorbe inositol polifosfatov.
- V {tudiji in-vivo tvorbe kemijskih zvrsti
esencialnega elementa selena smo najprej
rastlinam krompirja (Solanum tuberosum L.)
s foliarnim {kropljenjem dodajali elementni
selen in nato z razli~nimi ekstrakcijskimi
postopki izlo~ili nastale selenove zvrsti, ki smo
jih identificirali prek detekcije selena z ICPMS. Rezultati te {tudije so pokazali, da sta
ne glede na rastne pogoje glavni nastali topni
selenovi spojini v krompirju selenat in SeMet.
74
proven by sampling particles at the stack (100
°C) of a coal-fired power station in Slovenia.
By using our new sampling system, we
showed that size segregated sampling followed by elemental analysis can be used to
define a source signature.
The chapter “Metals in Aerosols” in a scientific monograph entitled “Environmental
Chemistry of Aerosols”, published by the wellknown international publisher Blackwell,
brings an overview of the current knowledge
in the field of aerosols, which include also
metal species. The chapter comprises topics
like sources of metals in aerosols, physicochemical characteristics, reactivity and interactions of metal species in the atmosphere
etc. It will serve as an authoritative and practical reference for scientists studying the
Earth’s atmosphere and as an educational
and training resource for both postgraduate
students and professional atmospheric scientists.
- A novel analytical procedure was developed
utilising the hyphenation of liquid chromatography and the inductively coupled plasma
mass spectrometry (HPLC-ICP-MS) for phosphorus specific detection, that was based on
ion-pair chromatography and continuous
detection of phosphorus containing compounds. This method was successfully applied
in a study on the formation of inositol
polyphosphates.
- In a study on the in-vivo formation of chemical species of the essential element selenium
we first added the elemental selenium into
the potato plants (Solanum tuberosum L.),
by using foliar spraying. Then, by applying
different extraction procedures, the selenium
species formed were determined via an ICPMS elemental specific method. The results of
this study clearly showed that selenate and
SeMet were the predominantly formed soluble selenium species in potato tubers, regardless of the growth conditions.
- As various chemical bleaching agents affect
- Ker razli~na kemijska belilna sredstva za papir
mo~no vplivajo na dolgotrajno barvno
obstojnost papirnih dokumentov in na
razbarvanje t.i. lisi~jih peg, smo v zanimivi
{tudiji preiskovali vsebnost prehodnih kovin
z uporabo nove sklopljene analizne tehnike
laserska ablacija - elementna masna spektrometrija (LA-ICP-MS) (Slika 2). Ugotovili smo,
da v primeru povi{ane vsebnosti èleza v
papirju, lahko z obdelavo papirja z raztopino
EDTA in natrijevega ditionita uspe{no
the long-term colour stability of paper and
the discoloration caused by foxing stains, we
have conducted an interesting study in which
several foxing stained papers were examined
for the presence of transition metals by using a novel hyphenated analytical technique
laser ablation - elemental mass spectrometry
(LA-ICP-MS) (Figure 2). It was found that the
papers having higher concentration levels of
iron, after being treated with the EDTA and
sodium dithionite solution, exhibited an effi-
SLIKA 1:
Shema prikazuje (A) 10-stopenjski Bernerjev kaskadni
impaktor za vzor~evanje trdnih aerosolov po
FIGURE 1:
Schematic diagram showing (A) a 10-stage Berner
cascade impactor for size-segregated sampling of
velikostnih razredih (od 15 nm do 16 µm), (B) nastali
depozit aerosolov ene od stopenj in (C) odslikavo
koncentracijske razporeditve elementov dobljeno po
solid aerosol particles (from 15 nm to 16 µm), (B)
the resulting aerosol particle deposits on one of the
stages of the impactor, and (C) an element map im-
meritvi z lasersko ablacijo in ICP-MS detekcijo za tri
velikostne stopnje vzor~enih aerosolov: (s) majhne,
(m) srednje in (l) velike, skupaj s (r) standardom in (b)
slepo vrednostjo; hladne barve predstavljajo nizke,
age, produced by the measurement of the deposited
particles with laser ablation coupled with ICP-MS detection of strips of three impactor stages: (s) small,
(m) medium and (l) large. together with the (r) ref-
tople barve pa visoke koncentracije. (ve~ v: S.
Gligorovski, J.T. van Elteren, I. Grgi}, Sci. Total
Environ.. 407 (2008) 594-602)
erence standard and (b) blank; “cool” colours represent lower concentrations and “hot” colours represent higher densities. (more in: S. Gligorovski, J.T. van
Elteren, I. Grgi}, Sci. Total Environ.. 407 (2008) 594602)
75
razbarvamo lisi~je pege in s tem pove~amo
barvno obstojnost. Rezultati te raziskave so
tudi pokazali, da so papirji z nizko vsebnostjo
prehodnih kovin, ki jih obdelamo po postopku
beljenja z natrijevim tetrahidroboratom,
barvno najobstojnej{i.
cient brightening and showed improved colour stability. The results of this investigation
also proved that the best stability for the papers with low transition metal contents was
achieved after their treatment with a solution of sodium borohydride.
- Interdisciplinarna raziskava je pokazala, da je
speciacija arzena v klini~nih vzorcih, posebno
v krvi, podvrèna mo`nim zapletom, ki vodijo
k napa~nim rezultatom. Razlog je izguba
arzena v procesu od vzor~evanja do analize.
Tako med ekstrakcijo pride do obarjanja
proteinov in peptidov z vezanim As(III), med
kromatografsko separacijo pa lahko pride do
ireverzibilne vezave specifi~nih kompleksov
proteinov ali peptidov z As(III) na kromatografsko kolono. Zato smo v zaklju~ku {tudije
podali tudi priporo~ilo, da je pri tovrstnih
analizah vedno nujno primerjati vsoto
dolo~enih spojin s celokupno koncentracijo
arzena v vzorcu.
- Interdisciplinary research showed that
speciation of arsenic in clinical samples (especially blood) may be subject to analytical
artefacts leading to false results. The reason
may be found in loss of arsenic components
from the sampling to the detection stage, in
particular during the extraction (precipitation
of As (III) -containing proteins/peptides) and
the chromatographic separation (irreversible
binding of specific As(III)-complexing proteins/peptides onto the column). A caveat is
in place to always aim at comparing the sum
of species with the total arsenic concentration determined independently.
- V sodelovanju s partnerji iz Velike Britanije smo
razvili dvostopenjsko metodo za {tudij
fizikalno-kemijskih procesov v bazenih z
rudni{kimi odpadki. Spremljali smo sorpcijo/
desorpcijo arzena na materialu iz zadrèvalnega bazena v Cornwallu (Velika
Britanija) z metodo ekvilibracije z As(III/V), ki
ji je sledila sekven~na ekstrakcija. Tako smo
karakterizirali material v smislu termodinami~ne/kineti~ne asociacije arzena z
mineralnimi komponentami vzorca.
- Collaborative work with our partner from
Great Britain has led to the development of
a two-stage methodology for studying
physico-chemical processes in tailings ponds.
The sorption/desorption behaviour of arsenic
was followed using batch equilibration of
tailings pond material originating from Cornwall (UK) with As(III/V) and subsequent sequential extraction to characterize the material with regards to the thermodynamic/kinetic association of arsenic with mineralogical phases.
- Tristopenjsko sekven~no ekstrakcijo smo
uporabili za cestni prah in vzorce zemlje, ki
smo jim dodali platino, paladij in rodij (platinum group elements, PGE). Ekstrakte smo
analizirali z metodo induktivno sklopljene
plazme z masno spektrometrijo (ICP-MS).
Rezultati kaèjo, da je do 5 % Pt , 70 % Pd in
14 % Rh v cestnem prahu prisotnih v mobilni
obliki. V primeru zemlje, ki smo ji dodali
upra{ene avtomobilske katalizatorje, pa je
razpolo`ljivost ni`ja, kar kaè na bolj uspe{no
oksidacijo v naravnih pogojih.
- A three-step sequential extraction procedure
was applied to street dust and spiked soil
samples for the determination of platinum
group elements (PGEs). Analyses were carried out using Inductively Coupled PlasmaMass Spectrometry (ICP-MS). The results indicate that up to 5% of Pt, 70% of Pd and
14% of Rh are in mobile forms in street dust.
The results for the soil samples spiked with
crushed catalytic converter are significantly
lower indicating that PGEs are oxidised more
efficiently in natural conditions.
76
- Prou~evali smo distribucijo svinca in cinka v
glomalinu podobnemu proteinu iz zemlje
(glomalin-related soil protein, GRSP), raz{irjenem glikoproteinu, ki ga verjetno proizvajajo
arbuskularne mikorizne glive, in sicer v zemlji
z obmo~ja topilnice svinca. Koli~ina kovine
vezane na GRSP je bila v pozitivni korelaciji s
celokupno koncentracijo v primeru svinca (r
= 0.90, p = 0.000) medtem, ko smo v
primeru cinka pri{li do obratnih zaklju~kov (r
= -0.41, p = 0.048), kar kaè na to, da GRSP
veè predvsem svinec (0.8-15.5% celokupnega svinca v zemlji).
- Bazi~na raziskava procesov na povr{ini med
zemljo in raztopino arzenata je bila izvedena
s pomo~jo izotopske izmenjave in kompartmentne analize. Za sledenje procesov
izmenjave arzenata med razli~nimi fizikalnimi
ali kemijskimi stanji smo uporabili radioaktivni
sledilec 73As(V) z visoko specifi~no aktivnostjo,
ki omogo~a izmenjavo brez neto masnega
transporta v sistemu vodne raztopine sledilca
in standardnega referen~nega materiala
zemlje (IAEA SOIL-5) v ravnote`nih pogojih.
Ta pristop je pokazal, da je le ca. 12 % arzena,
prisotnega v tej zemlji, v razpolo`ljivi obliki.
Razpolo`ljiva frakcija je vezana na najmanj dve
frakciji zemlje, in sicer na zunanje povr{ine in
na notranje pore.
- Da bi lahko izvajali direktne anodne stripping
voltametri~ne meritve v realnih okoli{~inah,
se pravi v prisotnosti razli~nih mote~ih
povr{insko aktivnih substanc, smo razvili
posebno preoksidirano za{~itno polimerno
membrano, ki smo jo najprej elektrokemijsko
nanesli na povr{ino osnovne mikroelektrode
iz ogljikovega vlakna, ~emur je sledila
elektrodepozicija tankega sloja kovinskega
bizmuta. Na ta na~in smo pripravili elektrokemijski mikrosenzor za izvajanje meritev
nekaterih strupenih elementov v sledovih
direktno v vzorcih voda iz okolja pri realnih
pogojih.
- Razvili smo nov zelo ob~utljiv amperometri~ni
mikrosenzor za vodikov peroksid, ki je
osnovan na mikroelektrodi iz ogljikovega
- The distribution of lead and zinc in glomalinrelated soil protein (GRSP), a widespread
glycoprotein presumably produced by
arbuscular mycorrhizal fungi (AMF) in soil was
studied in soils from an area near a lead
smelter. The amount of GRSP-bound metal
was positively correlated with the total concentration in the case of Pb but the opposite
was found for Zn, indicating that GRSP predominantly binds Pb (0.8-15.5% of the total
soil Pb).
- A fundamental isotopic exchange and
compartmental analysis approach was tested
for probing solute behaviour at the soil/arsenate solution interface. A radioactive 73As(V)
tracer with high specific activity was used to
the exchange of arsenate between different
physical or chemical states in an equilibrated
system comprising an aqueous solution and
a standard reference soil (IAEA SOIL-5). This
approach allowed retrieval of the accessible
arsenic (arsenate) – only ca. 12% of the arsenic present in the soil – available via at least
two sorption sites (external surfaces and internal pores).
- In order to perform direct anodic stripping
voltammetric measurements under environmental conditions, i.e. in the presence of different surface active substances, we developed a special protective overoxidized polymeric membrane that was first electrochemically deposited on the surface of a
substrate carbon fiber microelectrode and
then electroplated with a thin bismuth film.
In this way we prepared a stripping microsensor for direct measurements of some toxic
trace metals in water samples under real conditions.
- We designed and fabricated a novel amperometric hydrogen peroxide microsensor based
on substrate carbon fiber microelectrode
electrochemically modified with mixed ironruthenium hexacyanoferrate. The microsensor demonstrated good stability in both
neutral and alkaline media and an uninter-
77
vlakna elektrokemijsko modificirani s kombiniranim èlezovim-rutenijevim heksacianoferatom. Mikrosenzor je stabilen v nevtralnem
in bazi~nem mediju in lahko neprekinjeno
deluje do 12 ur. Izkazuje linearno koncentracijsko odvisnost v {irokem obmo~ju od 5
do 1000 µmol/L, z mejo zaznave 0.9 µmol/L.
Tak{en senzor nudi mo`nosti za uporabo v
realnih vzorcih in za pripravo glukoznega
mikrobiosenzorja.
- Razvili smo nov tip tankoslojne ogljikove
elektrode, ki smo jo pripravili po dvostopenjskem postopku, v katerem smo najprej
na povr{ino prevodnega materiala nanesli
tanek sloj èlatine, ki je v drugi stopnji
povzro~ila samodepozicijo tankega ogljikovega filma iz suspenzije ogljikovih nanodelcev (s premerom 30 nm). V ob{irni
elektrokemijski {tudiji smo dokazali, da so
karakteristike nove tankoslojne ogljikove
elektrode zelo podobne tistim, ki jih izkazuje
è uveljavljena elektroda iz steklastega ogljika.
Prednosti novo predstavljene ogljikove
elektrode so predvsem mo`nost cenene
masovne proizvodnje in okolju prijazna
priprava.
rupted working time of up to 12 hours. It
also exhibited a highly linear behaviour over
a wide hydrogen peroxide concentration
range of 5 to 1000 µmol/L, with a limit of
detection of 0.9 µmol/L. This microelectrode
holds great promise for its practical application in real samples and its further exploitation, in combination with a biorecognition
element, in advanced microbiosensor design.
- We developed a new type of carbon film electrode that is prepared in a two-step procedure in which first a thin layer of gelatine is
coated onto a conducting material followed
by spontaneous surface induced deposition
of carbon thin film from a dispersion containing carbon black nanoparticles (with a
diameter of 30 nm). In a thorough electrochemical study we proved that the characteristics of the new carbon film electrode are
very similar to those of the already established
standard glassy carbon electrode. The major
advantage of the new electrode is the possibility of its inexpensive mass production and
its environmentally-friendly fabrication.
- Krka d.d., Novo mesto;
OTHER PARTNERS
In 2008 we collaborated with numerous industrial and non-industrial partners within the
framework of contracts, and other types of cooperation, for the development of new methods and the adaptation or optimisation of already established methods. The analyses of various samples from industrial processes, environmental monitoring and research, is also carried
out. They require the analytical expertise and
special instrumentation that the Analytical
Chemistry Laboratory can provide.
A selected list of the most important slovene
industrial partners in 2008 comprises:
- Salonit Anhovo d.d., Deskle;
- Lek d.d., Ljubljana;
- Belinka Perkemija d.o.o., Ljubljana;
- Melamin d.d., Ko~evje;
- Belinka Perkemija d.o.o., Ljubljana;
DRUGIMI PARTNERJI
V letu 2008 smo sodelovali z ve~ deset
industrijskimi in drugimi partnerji v okviru
pogodb ali naro~il za razvoj novih ali adaptacije
in optimizacije è znanih metod oz. izdelave
kemijskih analiz razli~nih vzorcev iz proizvodnje,
okolja ali raziskav, ki zahtevajo posebna znanja
in izku{nje ter specialno instrumentacijo, kar vse
nudimo v na{em laboratoriju. Med najpomembnej{e industrijske partnerje tovrstnega
sodelovanja v letu 2008 sodijo:
- Salonit Anhovo d.d., Deskle;
- Melamin d.d., Ko~evje;
78
- Pivovarna Union d.d., Ljubljana;
- Pivovarna Union d.d., Ljubljana;
- Regeneracija d.o.o., Lesce;
- Regeneracija d.o.o., Lesce;
- Tovarna olja Gea d.d. Slovenska Bistrica;
- Tovarna olja Gea d.d. Slovenska Bistrica;
- Donit Tesnit d.d., Medvode;
- Donit Tesnit d.d., Medvode;
- Izoteh d.o.o., Ljubljana;
- Izoteh d.o.o., Ljubljana;
- Zlatarna Celje d.d., Celje idr.
- Zlatarna Celje d.d., Celje idr.
Sodelovanje z neindustrijskimi partnerji v letu
2008 je zajemalo pogodbeno in drugo razvojno
- O~esna klinika, Klini~ni center, Ljubljana;
- Fakulteta za znanosti o okolju, Univerza v novi
A
B
SLIKA 2:
(A): Opti~na mikroskopska fotografija lisi~je pege
FIGURE 2:
(A) An optical microscope photograph of a foxing
papirja pred in po meritvi z lasersko ablacijo sklopljeno
z elementno masno spektrometrijo (LA-ICP-MS);
premer uporabljenega laserskega àrka je 25 µm. (B):
stain before and after a line measurement using the
laser ablation sampling with elemental mass
spectrometry (LA-ICP-MS); laser beam diameter is 25
LA-ICP-MS signal za èlezo (Fe) ob prehodu prek lisi~je
pege; vsebnost Fe je na tem mestu pribli`no 20 x
povi{ana v primerjavi z okolico pege. (ve~ v: J. Male{i~,
µm. (B) The LA-ICP-MS signal recorded during the
laser beam traversing the foxing stain; the recording
shows a 20-fold increase of Fe content at the foxing
M. Kojc, V.S. [elih. Restaurator, 29 (2008) 142-154)
stain site in comparison with its environment. (more
in: J. Male{i~, M. Kojc, V.S. [elih. Restaurator, 29
(2008) 142-154)
79
in raziskovalno delo z naslednjimi neposrednimi
partnerji:
- Agencija Republike Slovenije za okolje,
Ljubljana;
- Elektroin{titut Milan Vidmar, Ljubljana;
- Fakulteta za kemijo in kemijsko tehnologijo,
Univerza v Lljubljani;
- Enota za patologijo prehrane in higieno
okolja, NVI, Veterinarska fakulteta, Univerza
v Lljubljani;
- Institut Joèf Stefan, Ljubljana;
- Fakulteta za strojni{tvo, Univerza v Mariboru;
- Zavod za gradbeni{tvo Slovenije, Ljubljana;
- In{titut za hmeljarstvo in pivovarstvo
Slovenije, @alec;
- Kmetijski in{titut slovenije;
Gorici;
- Laboratorij za raziskavo mo‘ganov, In{titut za
patolo{ko fiziologijo, Medicinska fakulteta,
Univerza v Lljubljani ...
Non-industrial partners for contract and research and development work in 2008 comprises:
- Agency of the Republic of Slovenia for the
Environment, Ljubljana;
- National Institute of Veterinary (Unit for Pathology of Animal Nutrition and Environmental Hygiene), Ljubljana;
- Slovenian National Building and Civil Engineering Institute, Ljubljana;
- Slovenian Institute of Hop Research and
Brewing, Agrochemistry Department, @alec;
- O~esna klinika, Klini~ni center, Ljubljana;
- Faculty of Civil Engineering, University of
Maribor;
- Fakulteta za znanosti o okolju, Univerza v Novi
Gorici;
- Jozef Stefan Institute, Ljubljana;
- Laboratorij za raziskavo mo`ganov, In{titut
za patolo{ko fiziologijo, Medicinska fakulteta,
Univerza v Ljubljani idr.
V letu 2008 so bili sodelavci Laboratorija za
analizno kemijo vklju~eni v naslednje mednarodne projekte:
- INTROP (“Interdisciplinary Tropospheric Research: from the Laboratory to Global
Change”). Raziskovalni mre`ni program
evropske znanstvene fondacije; trajanje:
2004-2009; nacionalna koordinatorka in
~lanica vodstvenega odbora: I. Grgi}.
- Faculty of Chemistry and Chemical Technology, University of Ljubljana;
- Faculty for Environmental Sciences, University of Nova Gorica;
- Institute of Agriculture, Ljubljana;
- Laboratory for Brain Research (Institute of
Pathophysiology, Faculty of Medicine, University of Ljubljana),
- “Milan Vidmar” Electroinstitute, Ljubljana
- COST Action 633 “Particulate Matter: Properties Related to Health Effects”, projekt
poteka v okviru Evropske znanstvene fundacije; trajanje: 2002-2008; nacionalna
koordinatorka ter podpredsednica COST 633:
J. Tur{i~.
In 2008 the Analytical Chemistry Laboratory
team members were involved in the following
international projects:
- A European Science Foundation Research
Networking Programme INTROP (Interdisciplinary Tropospheric Research: from the Laboratory to Global Change); duration: 2004 2009; national coordinator and member of
the Steering Committee: I. Grgi}.
- Bilateralni projekt med Slovenijo in Izraelom
{t. 1000-07-380012 z naslovom: “Priprava
in uporaba nanokompozitnih sol-gel tankih
- COST Action 633 project entitled “Particulate
Matter: Properties Related to Health Effects”
in the frame of European Science Founda-
80
filmov”; trajanje: 2007-2009; partner prof.
Daniel Mandler, The Hebrew University of
Jerusalem. Nosilec: B. Ogorevc.
- Bilateralni projekt z naslovom “Novi pristopi
za sodobno elektrokemijsko detekcijo” (BICZ/07-08-008); partner: prof. dr. Karel Vytras,
Univerza v Pardubicah, Pardubice, Republika
ê{ka. Nosilec: B. Ogorevc.
- Masni spektrometer z induktivno sklopljeno
plazmo (ICP-MS, Agilent Technologies, model
7500 ce&cs z dodatno opremo)
- In{trument za lasersko ablacijo, New Wave
Research, model UP 213 A/F
- Masni spektrometer z induktivno sklopljeno
plazmo (ICP-MS, Hewlett Packard, model HP
4500 PLUS) s HPLC modulom in UV/Vis
spektrometrom (DAD, Agilent, 1100 Series)
- Opti~ni emisijski spektrometer z induktivno
sklopljeno plazmo (ICP-OES, Thermo Jarrell
Ash, Model Atomscan 25) opremljen z
ultrazvo~nim razpr{ilcem (Cetac, model U6000 AT)
- Vrsti~ni elektronski mikroskop z visoko
lo~ljivostjo (SEM) (Carl Zeiss, model SUPRA
35 VP) opremljen z energijsko disperzijskim
spektrometrom rentgenskih àrkov (EDX)
(Oxford Instruments, model Inca 400; /SEM/
EDX je skupna oprema ve~ organizacijskih
enot na in{titutu
- Mikroskop na atomsko silo (AFM), model
Agilent 5500 Scanning Probe Microscope,
Agilent Technologies; AFM in{trument je
skupna oprema ve~ organizacijskih enot na
in{titutu
tion; duration: 2002 - 2008; national representative and vice-chair of COST 633: J. Tur{i~.
- A bilateral project entitled “Formation and
applications of Nanocomposite SOL-GEL thin
films”; duration: 2007 - 2009. Partner: Prof.
Daniel Mandler, The Hebrew University of
Jerusalem, Israel; P.I.: B. Ogorevc
- A bilateral project entitled “Novel Approaches
for Advanced Electrochemical Sensing” in the
framework of S&T cooperation between the
Republic of Slovenia and the Czech Republic;
duration 2007 - 2008. Partner: K. Vytras,
University of Pardubice, Czech Republic.
MAJOR EQUIPMENT
- Inductively coupled plasma mass spectrometer (ICP-MS, Agilent Technologies,
Model 7500 ce&cs with additional accessories)
- Instrument for laser ablation (New Wave Research, Model UP 213 A/F)
- Inductively coupled plasma mass spectrometer (ICP-MS, Hewlett Packard, Model HP
4500 PLUS) with the HPLC module and diode array spectrophotometric detector
(Agilent, 1100 Series)
- Inductively coupled plasma optical emission
spectrometer (ICP-OES, Thermo Jarrell Ash,
Model Atomscan 25) equipped with ultrasonic nebulizer (Cetac, Model U-6000 AT)
- High resolution scanning electron microscope
(SEM) (Carl Zeiss, model SUPRA 35 VP),
equipped with an energy dispersive X-ray
Spectrometer (EDX) (Oxford Instruments,
model Inca 400); SEM/EDX instrument is
shared with some other institute’s research
units
- Mikroskop na atomsko silo (AFM), model
MultiMode V Scanning Probe Microscope +
NanoScope V Control Station, Veeco Instruments; AFM instrument je skupna oprema
ve~ organizacijskih enot na in{titutu
- Atomic force microscope (AFM), Agilent 5500
Scanning Probe Microscope, Agilent
Technologies; AFM instrument is shared with
some other institute’s research units
- UV/Vis spektrofotometer (Perkin Elmer, model
Lambda 25)
- Atomic force microscope (AFM), MultiMode
V Scanning Probe Microscope + NanoScope V Control Station, Veeco Instruments;
81
- Sistem za ionsko kromatografijo (IC) s
konduktometri~no in spektrofotometri~no
detekcijo
- Preto~no injekcijski analizator (ASIA Ismatec)
AFM instrument is shared with some other
institute’s research units
- UV/Vis spektrofotometer (Perkin Elmer, model
Lambda 25)
- Tri ra~unalni{ko vodene elektrokemijske
delovne postaje (Autolab, Eco Chemie) in en
prenosni elektrokemijski sistem (PalmSens)
- Ion chromatography (IC) system with conductivity and spectrophotometric detection
- Invertni opti~ni mikroskop (Eclipse, Nikon)
opremljen z digitalno kamero
- Three computer assisted electrochemical
workstations (Autolab, Eco Chemie) and a
portable electrochemical system (PalmSens)
- Oprema za izdelavo mikroelektrod (aparat za
vle~enje kapilar, aparat za bru{enje mikroelektrod, ra~unalni{ko vodeni micromanipulator, idr.)
- Flow injection analyzer (ASIA Ismatec)
- Inverted optical microscope (Eclipse, Nikon)
equiped with a camera
- Reakcijska komora za raziskovanje reaktivnosti aerosolskih delcev pod kontroliranimi
pogoji
- Microelectrode fabrication tools (capillary
puller, stereo-zoom microscope, microelectrode beveler, computerised micromanipulator, etc.)
- Oprema za vzor~evanje aerosolov z Bernerjevimi nizkotla~nimi 10-stopenjskim kaskadnimi impaktorji
- Reaction chamber for the investigation of
aerosol particle reactivity under controlled
conditions
- Sodobni sistem za mikrovalovne razklope
(Ethos 1, Milestone) z razli~nimi rotorji
- Equipment for aerosol sampling (low-pressure cascade impactors of Berner type)
- Sistem za pripravo ~iste in ultra~iste vode
(Millipore) z Elix in Milli-Q Gradient enotama
- Advanced Microwave Digestion System
(Ethos 1, Milestone) with different rotors
- Mikro-analizna tehtnica (XP205, Mettler Toledo) name{~ena v specialno klimatizirani
tehtalnici (kontrola temperature in vlage)
opremljeni z ionizatorjem
- Micro-analytical balance (XP205, Mettler Toledo) placed in a specialised air conditioned
(temperature and humidity control) room
- Rotacijski vakuumski izparjevalnik (rotavapor)
Buechi, R210
- Water purification system (Millipore) including Elix and Milli-Q Gradient units
- Rotary vacuum evaporation system (rotavapor), Buechi, R210
Obiski v tujini v letu 2008:
- S. Ho~evar in V. Jovanovski sta bila na
dvotedenskem delovnem obisku na Hebrew
University of Jerusalem, Izrael pri prof. D.
Mandlerju v okviru izvajanja slovenskoizraelskega bilateralnega projekta z naslovom
“Formation and Application of Sol-Gel NanoComposite Thin Films”.
Visits abroad in 2008:
- S. Ho~evar and V. Jovanovski; two-week work
visit to Hebrew University of Jerusalem, Israel, at Prof. D. Mandler, in the framework
of the bilateral project entitled “Tormation
and Application of Sol-Gel Nano-Composite
Thin Films”.
- B. Ogorevc je bil na enotedenskem obisku na
Hebrew University of Jerusalem, Izrael pri
prof. D. Mandlerju v okviru izvajanja
slovensko-izraelskega bilateralnega projekta.
- B. Ogorevc; one-week visit to Hebrew University of Jerusalem, Israel, at Prof. D.
Mandler, in the framework of the bilateral
project.
82
- S. Ho~evar in V. Jovanovski sta bila na
dvotedenskem obisku na Oddeleku za
analizno kemijo Univerze v Pardubicah, ê{ka
Republika, v okviru slovensko-~e{kega
bilateralnega projekta z naslovom “Novi
pristopi za sodobno elektrokemijsko detekcijo”.
- S. Ho~evar and V. Jovanovski, two-week research visit, Department of Analytical Chemistry, University of Pardubice, Czech Republic
in the frame of bilateral project between Republic of Slovenia and Czech Republic entitled “Novel Approaches for Advanced
Electrochemical Sensing”.
Obiski iz tujine v letu 2008:
- L. Baldrianova in E. Tesarova iz Univerze v
Pardubicah, ê{ka Republika, sta bili na
enomese~nem delovnem obisku v okviru
slovensko-~e{kega bilateralnega projekta.
Visits from abroad in 2008:
- L. Baldrianova and E. Tesarova from University of Pardubice, Czech Republic, one-month
research visit in the frame of bilateral project
between Republic of Slovenia and Czech Republic.
- Prof. dr. Karel Vytras in dr. R. Metelka iz
Univerze v Pardubicah sta bila na enotedenskem obisku v okviru slovensko-~e{kega
bilateralnega projekta.
- L. Fink iz Hebrew University of Jerusalem je
bila na enomese~nem delovnem obisku v
okviru slovensko-izraelskega bilateralnega
projekta.
- B. Kovacevik iz University of Technology, Atmospheric Chemistry and Environmental Science, Göteborg, [vedska; je bila na enomese~nem delovnem obisku.
- Prof. Karel Vytras and Dr. R. Metelka from
University of Pardubice, Czech Republic: twoweek visit in the frame of bilateral project
between Republic of Slovenia and Czech Republic.
- L. Fink from Hebrew University of Jerusalem,
Israel, one-month research visit in the frame
of the Slovenian-Israeli bilateral project.
- B. Kovacevik from University of Technology,
Atmospheric Chemistry and Environmental
Science, Göteborg, Sweden; one-month
work visit.
83
Letno poro~ilo 2008
Annual report 2008
84
Laboratorij za kemijo, biologijo in tehnologijo vod
Laboratory for Chemistry, Biology and Technology of Water
L05
Laboratorij za kemijo,
biologijo in tehnologijo vod
Laboratory for Chemistry,
Biology and Technology of Water
doc. dr. Gregor D. Zupan~i~ (namestnik vodje/
deputy head)
doc. dr. Andreja Drolc
doc. dr. Tatjana Ti{ler
dr. Magda Cotman
dr. Janez Vrtov{ek
dr. Anita Jemec
prof. dr. Jana Zagorc Kon~an
VODJA / HEAD
prof. dr. Milenko Ro{
YOUNG RESEARCHERS
dr. Tanja Kurbus (4 mesece / 4 months)
Mirjana Bistan
Jelka Jelnikar
Emil Meden
Matja` Omerzel
85
PODRO^JA DEJAVNOSTI
a) Raziskovalni program:
- Integralni pristop k prepre~evanju onesnaèvanja voda - (MVZT); nosilec: M. Ro{
b) Raziskovalni in razvojni projekti:
- Aplikativni projekt »Razvoj sistemov za
~i{~enje odpadnih voda s kombinacijo
biolo{kih {ar`nih in membranskih procesov
(MVZT in HTZ I.P., Velenje)«; Nosilec: Gregor
D. Zupan~i~
- Organiziranje medlaboratorijskih primerjav za
laboratorije, ki izvajajo monitoring odpadnih
vod (MOP-ARSO)
- Zagotavljanje sledljivosti etalonov na mednarodno raven (Urad RS za meroslovje, MIRS)
- Neradiolo{ki monitoring reke Save (Nuklearna
elektrarna Kr{ko)
- Pridobivanje obnovljive energije iz organskih
substratov (Pivovarna Union in Pivovarna
La{ko); Nosilec: Gregor D. Zupan~i~
86
RESEARCH ACTIVITIES
a) Research programme
- Integrated Approach to Water Pollution Prevention (Ministry of Higher Education, Science and Technology, Republic of Slovenia)
– Principal investigator: M. Ro{
b) Research and applied projects:
- Development of Biological Wastewater
Treatment Procedures Combining Sequencing Batch Process And Membrane Technology; (Ministry of Higher Education, Science
and Technology, Republic of Slovenia, HTZ
I.P. Velenje) – Principal investigator: G. D.
Zupan~i~
- Organization of Interlaboratory Comparisons for Slovenian Laboratories which Perform Monitoring of Waste Water (Agency
for Environment)
- Assuring traceability of results of measurements in area of waste water (MIRS-Metro-
logical Institute of republic of Slovenia)
- Pridobivanje bioplina iz odpadkov IUV
(Industrija usnja Vrhnika); Nosilec: Gregor D.
Zupan~i~
- Non-Radiological Monitoring of the Sava
River (Nuclear Power Plant, Kr{ko)
- Pridobivanje zelene energije iz odpadne vode
in sosubstratov Karton Koli~evo (In{titut za
celulozo in papir); Nosilec: Gregor D.
Zupan~i~
- Renewable Energy Production From Organic
Substrates; (Brewery Union and Brewery
La{ko); Principal investigator: Gregor D.
Zupan~i~
- Prou~evanje {kodljivih u~inkov in mehanizmov dolgotrajnega delovanja organofosfornih snovi na ljudi, ìvali in okolje in
na~rtovanje ustreznih protiukrepov; TP
MIR06, vodja projekta: M. Harmel, Oikos
- Biogas Production From Tannery Waste (IUV
Vrhnika); Principal investigator: Gregor D.
Zupan~i~
c) Vzdrèvanje sistema kakovosti v skladu s
standardom SIST EN ISO/IEC 17025
BIBLIOGRAFIJA
1 strokovni ~lanek
1 samostojni strokovni sestavek ali poglavje
v monografski publikaciji
1 drugi ~lanek ali sestavek
1 objavljeni znanstveni prispevek na
konferenci (vabljeno predavanje)
konferencah
13 objavljenih povzetkov strokovnih
1 vabljeno predavanje na konferenci brez
natisa
5 kon~nih poro~il o rezultatih raziskav
5 elaboratov, pred{tudij, {tudij
2 izvedenski mnenji, arbitra`ni odlo~bi
3 diplome
1 magisterij
2 doktorata
1 uredni{tvo revije
- Izvedli smo posebno medlaboratorijsko
primerjavo »Strupenost odpadnih vod na
organizem Daphnia magna«, namen katere
je bilo ugotavljanje korelacij med uspe{nostjo
sodelovanja laboratorijev in razli~nimi faktorji
(npr. uporabljena metoda merjenja, uveden
- Renewable »Green« Energy From Pulp and
Paper Industry Wastewater and Various CoSubsrtates; (Pulp and Paper Institute); Principal investigator: Gregor D. Zupan~i~
- Study of Harmful Effects of Long Term Exposures of Organophosphorus Compounds to
Human, Animals and Environmental and
Plans for Corresponding Preventive Measures.
TP MIR06. Principal researcher: M.Harmel,
Oikos
c) Operation of laboratory according to requirements of the standard SIST EN ISO/IEC 17025
BIBLIOGRAPHY
1 Independent Professional Component
Part in a Monograph
1 Other Article or Component Part
1 Published Scientific Conference Contribution (Invited Lecture)
13 Published Professional Conference
Contribution Abstracts
1 Unpublished Invited Lecture at a
Conference
5 Final Research Reports
2 Expertises, Arbitration Decisions
1 Master’s Thesis
87
sistem kakovosti, zagotavljanje sledljivosti,
QA/QC,...).
- Vklju~ili smo se v mednarodno mreò
organizatorjev medlaboratorijskih primerjav
na podro~ju vod v EU (PT-WFD – »Proficiency
testing – Water Focused Determinands«).
- Izvedli smo dve medlaboratorijski primerjavi
za slovenske in tuje laboratorije, ki izvajajo
monitoring odpadnih vod in delavnico na
podro~ju meroslovja v kemiji v sodelovanju z
MIRS (Urad RS za meroslovje) in ARSO
(Agencija Republike Slovenije za okolje).
- Vklju~eni v mednarodno bazo EPTIS (BAM
Nem~ija), kot edini slovenski organizatorji
medlaboratorisjikih primerjav.
- Uvedli smo metodo za dolo~anje biometanskega potenciala razli~nih vrst substratov
(potencial substrata za produkcijo metana).
Raziskave smo izvajali v sodelovanju z
razli~nimi slovenskimi podjetji.
- Na podro~ju ekotoksikologije smo pri~eli z
novim podro~jem raziskav, in sicer nanotoksikologijo. Potencialna strupenost inènirsko proizvedenih delcev je namre~ pere~e
vpra{anje, saj so ti delci izredno majhni in
imajo zaradi ve~jega razmerja med povr{ino
in volumnom nekatere toksikolo{ke lastnosti,
ki so popolnoma druga~ne od njihovih ve~jih
oblik. Ve~ja reaktivnost teh delcev zbuja skrb
predvsem zato, ker jim omogo~a, da z
biolo{kimi sistemi od makromolekul do
organizmov in ekosistemov reagirajo nekontrolirano in na nepri~akovan na~in. Osredoto~ili smo se na {tudij vplivov inènirsko
proizvedenih nanodelcev na vodne organizme (zarodki rib Danio rerio) ter kopenske
nevreten~arje.
- Raziskave smo usmerili tudi na podro~je
hormonskih motilcev z estrogenim delovanjem v vodah. Uvedli in optimizirali smo
biolo{ko metodo YES (yeast estrogen screen),
ki temelji na uporabi gensko spremenjene
kvasovke Saccharomyces cerevisae (GLAXO,
UK). [tudirali smo razli~ne pogoje za gojenje
88
- Special Interlaboratory comparison »Toxicity
to Daphnia Magna in wastewater« was organized in order to examine corelation between laboratories performance and influencing factors (ec. measurement method,
implementation of quality system, traceability establishement, QA/QC ...).
- We participated in »European Network of PTs
providers supporting the implementation of
the Water Framework Directive« (PT-WFD –
Proficiency Testing – Water Focused Determinands).
- We provided two distributions of samples in
the ILC-Waste Water and organized workshop together with MIRS (Metrological Institute of Republic of Slovenia) and ARSO
(Agency for environment).
- The ILC-Waste Water is registered in the EPTIS
database.
- The bioassay for monitoring biochemical
methane potential (e.g. the potential of a
substrate to be anaerobically degraded to
methane) was optimized and implemented
in laboratory practise. Research was conducted in cooperation with different Slovenian companies (Koto, Fructal, IUV).
- We started reseach in the new field of
nanotoxicology. The potential toxicity of engineered nanoparticles has become a pressing question, since due to their small size they
posess unique toxicological properties different from their parent chemicals. Their enhanced reactivity provokes concerns due to
the possible interactions with a variety of biological systems ranging from biomolecules
to organisms and entire ecosystem. Our research is focused on the effects of nanoparticles on aquatic organisms (embryos
Danio rerio) and terrestrial invertebrates.
- Research studies were also focused on the
detection of endocrine disruptor chemicals
(EDC) with estrogen activity in the aquatic
environment. In vitro YES (yeast estrogen
in izvedbo testa. Uvedli smo tudi analitsko
metodo za dolo~anje estrogenov in ksenoestrogenov v vodah z uporabo plinske
kromatografije sklopljene z masno spektrometrijo s predhodno mikroekstrakcijo (SPME).
- Na podro~ju biolo{kega ~i{~enja odpadnih
voda smo v {a`nem biolo{kem reaktorju (SBR)
z zaporedjem anoksi~no/aerobnih pogojev
uspeli dose~i delno granulacijo aktivnega
blata, pri ~emer smo del potrebne energije (v
obliki stri`nih sil) namesto z intenzivnej{im
prezra~evanjem, nadomestili z uvedbo
mehanskega me{anja v aerobni fazi. S tem
se je lahko koncentracija aktivnega blata v
SBR ob~utno pove~ala, kar pomeni ve~jo
u~inkovitost ~istilne naprave. Hkrati smo v
~asovnem okvirju ene {arè uvedli dodatno
fazo polnjenja, kar je omogo~ilo bolj{i
izkoristek v odpadni vodi prisotnega organskega substrata za denitrifikacijo.
- Za {tudij biolo{kega ~i{~enja podtalnice
(denitrifikacija in odstranjevanje organskih
mikroonesnaèval) smo postavili laboratorijski
pilotni reaktor (V = 15 L) z nosilcem biomase
(kerami~ne kroglice), ki so dostopne na
trì{~u. Rezultati raziskav bodo tako neposredno uporabni pri dimenzioniranju industrijskih ~istilnih naprav.
- Na podro~ju uvajanja novih tehnologij in
screen) bioassay based on the genetically
modified yeast strain Saccharomyces cerevisiae (Sumpter, Glaxo, UK) was introduced
studying different culturing and test conditions. In addition a gas chromatography coupled with mass spectrometry (GC-MS) and
the SPME extraction was developed for identification and quantification of EDCs in water.
- On the field of biological wastewater treatment in a sequencing batch reactor (SBR)
with sequence anoxic/aerobic conditions we
succeeded to achieve partly granulation of
the activated sludge, where a part of necessary energy (in shape of shear forces) was
compensated instead of with intensive ventilation, with introduction of mechanical mixing in aerobic phase. With this action the
concentration of activated sludge in SBR considerably increased, what means larger efficiency of wastewater treatment plant. We
initiated additional phase of filling in time
frame of one cycle, which enabled better utilisation rate in wastewater of present organic
substrate for dentrification.
- For study of biological treatment of ground
water (dentrification and organic micro pollutants removal) we constructed laboratory
pilot treatment plant (V = 15 L) with holder
SLIKA 1:
FIGURE 1:
YES test; Prisotnost estrogenov in ksenoestrogenov v
vodi povzro~i spremembo barve iz rumene (a) v
vijoli~no (b)
YES bioassay; a change of colour from yellow (a) to
violet (b) due to the presence of estrogens and
xenoestrogens in water samples.
89
materialov smo opravili teste za oceno vpliva
filtrirnega materiala (na osnovi nano delcev)
na vodno okolje, predvsem s stali{~a varnega
odlaganja izrabljenega materiala. Prvi
rezultati kaèjo, da material predstavlja
potencialno nevarnost za vodno okolje.
- Razvili smo tehnologijo procesa za namen
pridobivanja bioenergije - anaerobne obdelave polsuhih sipkih odpadnih organskih
materialov, kjer smo uvedli termi~no-kemijsko
predobdelavo v hidroliznem postopku in tako
precej izbolj{ali u~inek procesa.
- Razvili smo tehnologijo pridobivanja bioplina
iz trdnih ma{~obnih odpadkov v kombinaciji
z drugimi substrati brez predhodnege
termi~ne obdelave ma{~ob in s tem mo~no
izbolj{ali toplotno bilanco procesa ter
zmanj{ali reaktorski volumen.
- Razvili smo tehnologijo dodajanja odpadnih
so-substratov v anaerobni UASB sistem s
ciljem pove~anja proizvodnje bioplina in s tem
izbolj{anja energijske bilance brez pove~anja
reaktorskega volumna.
DRUGIMI PARTNERJI
- Geolo{ki zavod Slovenije, Ljubljana
- Ministrstvo za okolje in prostor – Agencija
RS za okolje, Ljubljana
- Nuklearna elektrarna Kr{ko, Kr{ko
- Univerza v Novi Gorici, Nova Gorica
- Urad Republike Slovenije za meroslovje,
Ljubljana, Celje
- Zavod za gradbeni{tvo Slovenije (ZAG),
Ljubljana
- Pivovarna La{ko, La{ko
- Pivovarna Union, Ljubljana
- Fructal, Ajdov{~ina
of biomass (ceramic balls), that are accessible on market. Results of researches will be
useful directly at design of industrial water
treatment plants.
- On the field of introduction of new technologies and of materials we carried out tests for
assessment of impact filter material (on the
basis of nano particles) on water environment, above all from standpoint of safe disposal of exploited material. First results show,
that material is introducing potential danger
for water environment.
- We developed the technology for anaerobic
treatment of semisolid organic substrates for
biogas production. We introduced thermalchemical hydrolysis and substantially improved the process efficiency.
- We developed the technology for anerobic
treatment of solid fatty waste without thermal pretreatment. The heat balance of the
process was improved as well as reactor volume reduced.
- We developed the technology of addition of
various substrates to anaerobic UASB reactor in order to increase biogas yield and improve the energy production balance without increasing reactor volume.
OTHER PARTNERS
- Geological Survey of Slovenia, Ljubljana
- Ministry of Environment and Spatial planning
– Environmental Agency
- Nuclear Power Plant Kr{ko, Kr{ko
- University of Nova Gorica, Faculty for Environmental Sciences, Nova Gorica
- Metrology Institute of the Republic of
Slovenia
- KOTO, Ljubljana
- Slovenian National Building and Civil Engineering Institute, Ljubljana
- IUV, Vrhnika
- La{ko Brewery, La{ko
- In{titut za celulozo in papir, Ljubljana
- Union Brewery, Ljubljana
- Komunalno podjetje Velenje, Velenje
- Fructal, Ajdov{~ina
- Hidroinèniring, Ljubljana
90
- Esotech, Velenje
- KOTO, Ljubljana
- HTZ I.P., Velenje
- Municipality of Velenje, Velenje
- Veterinarska fakulteta, Univerza v Ljubljani
- Hidroinèniring, Ljubljana
- Biotehni{ka fakulteta: Oddelek za biologijo
in Oddelek za zootehniko, Univerza v Ljubljani
- Esotech d.d., Velenje
- In{titut za fizikalno biologijo, Grosuplje
- Veterinary faculty, University of Ljubljana
- Oikos, Svetovanje za razvoj, Domàle
- Biotechnical Faculty: Departments for Biology
and Zootechnic, University of Ljubljana
- Lek Pharmaceuticals d.d., Ljubljana
- HTZ I.P., Velenje
- Fakulteta za kemijo in kemijsko tehnologijo,
Univerza v Ljubljani
- Oikos, Development Consulting, Dom‘ale
SLIKA 2:
FIGURE 2:
Plinski kromatograf sklopljen z masno spektrometrijo
(GC-MS).
Gas chromatography coupled with mass spectrometry
(GC-MS).
- Institute of Physical Biology, Grosuplje
91
- European Analytical Quality Control via Water Information System for Europe (EAQCWISE), 6. OP, 2005-2008, pogodba {t.
022603
- Lek Pharmaceuticals d.d., Ljubljana
- European Network of PTs providers supporting the implementation of the Water Framework Directive
- European Analytical Quality Control via Water Information System for Europe (EAQCWISE), 6. FP, 2005-2008, Contract no.
022603
- Training in Metrology in Chemistry (TrainMiC)
- 5 Anaerobnih pilotnih reaktorjev z opremo
- 2 Avtomatizirana {ar`na biolo{ka reaktorja
([BR)
- Faculty for Chemistry and Chemical Technology, University of Ljubljana
(all in Slovenia)
- European Network of PTs providers supporting the implementation of the Water Framework Directive
- Training in Metrology in Chemistry (TrainMiC)
- Anaerobni [BR reaktor
- ATAD [BR reaktor
- 2 UASB anaerobna reaktorja
- îtalec mikrotiterskih plo{~ (Bio-tek, MicroWave XS)
- Laboratorijski modeli biolo{kih ~istilnih naprav
- Laboratorijski modeli rek
- Ionski kromatograf (DIONEX 120) s samodejnim vzor~evalnikom
- Kjeltec sistem 2300 Autosystem II (FOSS
Tecator) za razklop in dolo~anje Kjeldahlovega
du{ika
- Spektrofotometer Lambda 20 (Perkin-Elmer)
- TOC analizator TOC-5000A (SHIMADZU)
- LUMIS-TOX aparatura (dr. Lange)
- Agilent Technologies 6890 N GC System +
5973 Mass selective Detector
- Avtomatski KPK titrator Mettler-Toledo
MAJOR EQUIPMENT
- 5 Lab Scale anaerobic digesters with equipment
- 2 Automated sequencing Batch Reactors
(SBR)
- Anaerobic SBR reactor
- ATAD-SBR reactor
- 2 UASB reactors
- Micro-plate reader (Bio-tek, Micro-Wave XS)
- Laboratory wastewater treatment plants
- Laboratory river models
- Ion chromatograph (DIONEX 120) with automated sampler (DIONEX)
- Kjeltec system 2300 Auto system II (FOSS
Tecator) for Kjeldahl N determination
- Spectrophotometer Lambda 20 (PerkinElmer)
- TOC analyser TOC-5000A (SHIMADZU)
Izobraèvanje:
- Prof. dr. Milenko Ro{ je habilitiran za podro~je
onesnaèvanje in za{~ita voda in predava
predmet Za{~ita voda (Univerza v Novi Gorici)
- LUMIS-TOX apparatus (dr. Lange)
- Doc. dr. Gregor D. Zupan~i~ je habilitiran na
podro~ju varstva okolja in predava predmet
Ravnanje z odpadki (Univerza v Novi Gorici)
Education:
- Prof. Dr. Milenko Ro{ is qualified as university
92
- Agilent Technologies 6890 N GC System +
5973 Mass selective Detector
- Mettler-Toledo automated COD titrator
- Doc. dr. Andreja Drolc je habilitirana na
podro~ju varstva okolja in predava predmet
Onesnaèvanje zraka, vode in tal (Univerza v
Novi Gorici)
teacher for the field Water Pollution and
Protection; he lectures the subject Water
Protection (University of Nova Gorica,
Slovenia)
- Doc. dr. Tatjana Ti{ler je habilitirana za
podro~je toksikologije in predava predmet
Ekotoksikologija na Univerzi v Novi Gorici
- Assist. Prof. Dr. Gregor D. Zupan~i~ is qualified as university teacher for the field Environmental Protection, he lectures the subject Waste management (University of Nova
Gorica, Slovenia)
Obiski in gostovanja:
- Soorganizacija delavnice »Primerljivost
meritev v kemiji« (M. Ro{, M. Cotman, A.
Drolc)
- Soorganizacija konference z mednarodno
udele`bo, VODNI DNEVI 2008, kjer so
sodelavci laboratorija sodelovali kot predavatelji
- Assist. Prof. Dr. Andreja Drolc is qualified
as university teacher for the field Environmental Protection; she lectures the subject
Air, Water and Soil Pollution (University of
Nova Gorica, Slovenia)
- Assist. Prof. Dr. Tatjana Ti{ler is qualified as
university teacher for the field Toxicology;
she lectures the subject Ecotoxicology (University of Nova Gorica, Slovenia)
Important visits:
- Co-organisation of the workshop “Comparability of Chemical measurements” (M.
Ro{, M. Cotman, A. Drolc)
- Co-organisation of the conference with international participation, Water Days 2008,
co-workers of the Laboratory were also lecturers
93
Letno poro~ilo 2008
Annual report 2008
94
Laboratorij za prehrambeno kemijo
Laboratory for Food Chemistry
L06
dr. Alenka Golc-Wondra (do / till 31.8.2008)
dr. Mitja Kri`man
dr. Mirko Pro{ek
dr. Breda Simonovska
dr. Andrej [midovnik
VODJA / HEAD
dr. Irena Vovk
YOUNG RESEARCHERS
Alen Albreht
Maja Fir - Milivojev} (do / till 31.8.2008)
Vesna Glavnik
Mitja Martelanc
Zoran Rodi} (od / from 1.10.2008)
Kajetan Tro{t
Mateja Puklavec
Petra Jazbec
95
PODRO^JA DEJAVNOSTI
Raziskovalno in razvojno delo Laboratorija za
prehrambeno kemijo je usmerjeno predvsem v
{tudij spojin naravnega izvora, za katere
obstajajo ugotovitve, da imajo koristen vpliv na
~love{ki (in ìvalski) organizem, vendar njihovo
prou~evanje tudi v svetu {e traja.
Na{e dejavnosti obsegajo:
- razvoj validiranih analiznih metod, ve~inoma
kromatografskih, za potrebe raziskovalnega
dela in za potrebe naro~nikov iz industrije in
drugih in{titucij;
RESEARCH ACTIVITIES
Research and development activities of the
Laboratory for Food Chemistry are primarily
focused on studies of compounds from natural sources, which have a beneficial effect on
the human (and animal) organism, but they are
still under investigation in the world.
Our activities include:
- Development of validated analytical methods,
mainly chromatographic, for research as well
as for the clients from industry and other institutions;
- izolacijo spojin iz naravnih materialov, njihovo
identifikacijo s pomo~jo kromatografskih in
spektroskopskih tehnik;
- Isolation of compounds from natural materials, their identification by means of chromatographic and spectroscopic techniques;
- pripravo novih oblik naravnih biolo{ko
aktivnih spojin, s katerimi se pove~a obstojnost teh spojin in spremenijo nekatere druge
lastnosti ter karakterizacijo teh novih
materialov;
- Preparation of new forms of natural biologically active compounds that enhance the stability of these compounds and change certain other properties, and characterization of
these new materials;
- razvoj novih prehranskih dopolnil in njihovo
vrednotenje;
- Development of new dietary supplements
and their evaluation;
- izvajanje analiz s podro~ja analitike ìvil
(predvsem mikronutrientov) in zdravil.
- Analysis of foods (especially micronutrients)
and medicines.
96
BIBLIOGRAFIJA
1 strokovni ~lanek
konferencah
1 patent
1 diploma
BIBLIOGRAPHY
1 Patent
1 Undergraduate Thesis
- Nadaljevali smo z razvojem in vrednotenjem
novih vodotopnih oblik koencima Q10
(CoQ10) in podjetju Valens d.o.o. pomagali
pri postavitvi industrijske proizvodnje
vodotopnega CoQ10 po licenci Kemijskega
in{tituta.
- We developed and tested new water soluble
forms of coenzyme Q10 (CoQ10) and supported the company Valens d.o.o. in the
scale-up of new industrial production of
CoQ10 according to our license.
- V sodelovanju s Perutnino Ptuj d.d. smo v
okviru industrijske vzreje pi{~ancev brojlerjev
(ve~ kot 70.000 testnih ìvali), ki so bili
hranjeni s krmo obogateno z vodotopnim
koencimom Q10 (CoQ10), raziskovali
kopi~enje CoQ10 v posameznih tkivih. Iz
pridobljenega mesa s pove~ano vsebnostjo
CoQ10 smo pripravili ve~ funkcionalnih ìvil
in v njih ovrednotili vsebnosti CoQ10,
holesterola, tokoferolov in ma{~ob. Razultati
so pokazali, da je v mesu in tudi v izdelkih
pri{lo do znatnega porasta koncentracije
CoQ10 (tudi do 50%), v posameznih primerih
pa tudi do rahlega zniànja vsebnosti
holesterola.
- Razvili smo metode za kvantitativno vrednotenje reducirane in oksidirane oblike
CoQ10, tokoferolov, specifi~nih ma{~obnih
kislin, holesterola in njegovih oksidov.
- V sodelovanju s Fructalom d.d. smo primerjali
vsebnosti polifenolov in ostalih antioksidantov med skladi{~enjem asepti~no polnjenega pomaran~nega soka in borovni~evega
nektarja v embalaì iz polietilen tereftalata
(PET) z razli~nimi za{~itami za kisik. Drugi del
{tudije smo posvetili ugotavljanju razlik med
asepti~nim polnjenjem izdelkov v ve~slojno
- In cooperation with Perutnina Ptuj d.d. we
were involved in the study dealing with feeding of broiler chickens (more than 70.000
test animals) with fodder enriched with water soluble form of Q10 (CoQ10). We investigated the accumulation of coenzyme Q10
(CoQ10) in different tissues and used meat
with increased concentration of CoQ10 for
preparation of functional food products in
which we determined concentrations of
CoQ10, cholesterol, tocopherols and fatty
acids. Accomplished study showed up to
50% increased concentration of CoQ10 in
meat tissues. In some meat tissues concentration of cholesterol was slightly reduced.
- We developed new analytical methods for
quantitative evaluation of oxidized and reduced form of CoQ10, tocopherol, specific
fatty acids, cholesterol and cholesterol oxides.
- In cooperation with Fructal d.d. we compared
the contents of polyphenols and other antioxidants during the storage of the aseptic
filled orange juice and blueberry nectar in
polyethylene terephthalate (PET) packaging
with different oxygen barrier. Second part of
the study was devoted to the evaluation of
differences between orange juice and blueberry aronia nectar commercially filled by
97
kartonsko embalaò in vro~im polnjenjem v
stekleno embalaò. Troslojna PET plastenka
je najbolje za{~itila fenole in antioksidante.
Po drugi strani pa je steklena embalaà, ki se
uporablja pri tehnologiji vro~ega polnjenja,
ohranjala bolj{o kakovost izdelka dalj{i ~as
kot ve~slojna kartonska embalaà. Pri
pomaran~nem soku so bile razlike manj
opazne kot pri borovni~evem nektarju.
aseptic technology in carton and by hot fill
technology in glass. Three layer bottles offered maximum protection for the product.
On the other hand the laminated carton gave
lower protection in comparison to the glass
packaging more common for hot fill technology. Regarding observed parameters orange juice was found more stable than blueberry nectar.
- Nadaljevali smo z razvijanjem HPLC-UV, LCMS in TLC metod za identifikacijo in dolo~anje
triterpenoidov in fitosterolov v vzorcih
rastlinskega izvora. [tudirali smo kromatografsko lo~bo desetih triterpenoidov (med
njimi je bilo ve~ strukturnih izomerov) in dveh
fitosterolov. Komercialno nedostopen
triterpenoid δ-amirin smo sami izolirali iz
paradi`nika.
- We developed new HPLC-UV, LC-MS and TLC
methods for identification and determination
of triterpenoids and phytosterols in samples
of plant origin. We studied chromatographic
separation of ten triterpenoids (many of them
structural isomers) and two phytosterols. We
isolated commercially not available triterpenoid δ-amyrin from tomato fruit.
- S skupino s Fakultete za farmacijo z Univerze
v Beogradu, Srbija, smo v okviru bilateralnega
projekta razvili dve analizni metodi: HPLC
metodo za dolo~anje all-trans-luteina v
prehranskih dopolnilih in TLC metodo za
dolo~anje alfa-lipoi~ne kisline v prehranskih
dopolnilih. Prvo metodo smo uporabili za
dolo~itev all-trans-luteina v 15 razli~nih
prehranskih dopolnilih (tablete, kapsule). V
vseh vzorcih so bile detektirane tudi cis
izomere luteina in malo all-trans-zeaksantina.
V okviru tega sodelovanja smo validirali tudi
metodo na osnovi elektrokineti~ne kromatografije za dolo~anje 15 gvanidinskih/
imidazolinskih derivatov (antihipertenzivov).
- In the frame of a bilateral project with the
group from the Faculty of Pharmacy (University of Belgrade) we developed two analytical methods: an HPLC method for determination of all-trans-lutein in food supplements
and a TLC method for determination of alpha-lipoic acid in food supplements. The first
method was used for the determination of
all-trans-lutein in 15 different food supplements (tablets and capsules). Some cis isomers of lutein and small amounts of all-transzeaxanthin were also detected in all samples.
Additionally, we validated the developed
electrokinetic chromatographic method for
determination of 15 guanidine/imidazoline
derivatives (antihypertensives).
- V okviru bilateralnega projekta s Fakulteto za
kemijsko inènirstvo in tehnologijo Univerze
v Zagrebu, Hrva{ka, smo optimizirali postopke ekstrakcije (-)-epikatehina in procianidina
B2 iz ~okolade. Razvili smo HPLC metodo za
dolo~anje vsebnosti (-)-epikatehina, procianidina B2, kofeina in teobromina v ~okoladi
in dolo~ili vsebnost na{tetih spojin v razli~nih
vzorcih ~okolade, kakavove mase in kakava
slovenskih (Gorenjka d.d., Benedikt d.o.o.,
Syncerus d.o.o.) in hrva{kih proizvajalcev (Kra{
in Zve~evo).
- In the frame of a bilateral project with the
Faculty of Chemical Engineering and Technology (University of Zagreb) we optimized
the extraction procedures for extraction of
(-)-epicatechin and procyanidin B2 from
chocolate. We developed an HPLC method
for the determination of (-)-epicatechin,
procyanidin B2, caffeine and theobromine in
chocolate, and determined the content of
these compounds in different samples of
chocolate, cocoa mass and cocoa of Slovenian (Gorenjka d.d., Benedikt d.o.o., Syncerus
98
- V okviru bilateralnega projekta s Toba~nim
in{titutom iz Prilepa, Makedonija, smo razvili
HPLC metodo za dolo~anje all-trans-solanesola v ekstraktih toba~nih listov razli~nih
sort tobaka, ki jih na Toba~nem in{titutu
gojijo. Poleg tega smo za dolo~anje biolo{ko
aktivnih {ikoninskih derivatov razvili novi HPLC
metodi z VIS in MS detekcijo in prvi v svetu
lo~ili in identificirali devet {ikoninskih
derivatov (tudi pozicijske in geometrijske
izomere) iz korenin rastline Echium italicum
L. iz druìne srhkolistnic (Boraginaceae).
- Na osnovi ionske kromatografije smo razvili
hitrej{o analizno metodo za dolo~anje
anionov v ostankih nizko brizantnih razstreliv.
Pri vrednotenju ostankov eksplozivov na
osnovi nitratov smo uvedli nov pristop, ki
omogo~a bolj{o rekonstrukcijo dogodka
eksplozije kot samo vrednotenje absolutnih
koncentracij analita.
d.o.o.) and Croatian chocolate producers
(Kra{ and Zve~evo).
- In the frame of a bilateral project with Tobacco Institute, Prilep, Macedonia, we developed an HPLC method for determination of
all-trans-solanesol in the extracts of tobacco
leaves from different tobacco types grown at
Tobacco Institute in Prilep. We developed
HPLC methods with VIS and MS detection for
determination of biologically active shikonin
derivatives, which allowed for the first time
simultaneous separation of all nine shikonin
derivatives (including positional and geometric isomers). These compounds were identified in the root epidermis of Echium italicum
L. for the first time.
- Using ion chromatography we developed a
faster method for determination of anions in
explosion debris of homemade explosives. In
addition, we established a new approach for
SLIKA 1:
Nasad àmetnice (Tagetes patula L.) na poskusnem
polju Toba~nega in{tiuta v Prilepu, Republika
FIGURE 1:
Experimental field with marigold (Tagetes patula L.)
at the Tobacco Institute in Prilep, Republic of Mac-
Makedonija (bilateralni projekt).
edonia (bilateral project).
99
- Za potrebe nadzornih slu`b Agencije RS za
kmetijske trge in razvoj podeèlja smo
vrednotili vsebnost delta-9-tetrahidrokanabinol (THC) v vzorcih industrijske
konoplje. Za potrebe farmacevtske industrije
pa smo razvili LC-MS, GC-FID in GC-MS
analizne metode za identifikacijo in dolo~anje
novih farmacevtskih u~inkovin.
DRUGIMI PARTNERJI
Sodelovanje je potekalo s slovenskimi podjetji:
- Lek d.d., Ljubljana
evaluation of nitrate-based explosion debris.
The new approach allows better reconstruction of the explosion site than the evaluation
of absolute analyte concentrations.
- We determined concentrations of delta-9tetrahydrocannabinol (THC) in samples of
industrial hemp (Cannabis sativa L.) for the
Agency of the Republic of Slovenia for Agricultural Markets and Rural Development. We
also developed several LC-MS, GC-FID, GCMS analytical methods for identification and
development of new pharmaceutical substances.
- Krka d.d., Novo mesto
- Valens Int. d.o.o., Ljubljana
- BIA Separations d.o.o., Ljubljana
- Perutnina Ptuj d.d., Ptuj
- Fructal ìvilska industrija d.d., Ajdov{~ina
- Pivovarna Union d.d., Ljubljana
in z institucijami:
- Klini~ni center, Ljubljana
- Veterinarska fakulteta, Univerza v Ljubljani
- Veterinarska klinika, Ljubljana
- Biotehni{ka fakulteta, Univerza v Ljubljani
- Zavod za zdravstveno varstvo Maribor
- In{titut za varovanje zdravja Republike
Slovenije, Ljubljana
- Nacionalni in{titut za biologijo, Ljubljana
- Agencija Republike Slovenije za kmetijske trge
in razvoj podeèlja itd.
- Evropski projekt: TEMPUS »Novi kurikularni
modeli za izobraèvanje prehrambenih
tehnologov« (TEMPUS CD_JEP-40065-2005),
2006-2009, nosilka na KI: dr. Breda Simonovska
- Bilateralni projekt Slovenija - Hrva{ka s
Fakulteto za kemijsko inènirstvo in tehnologijo Univerze v Zagrebu: »Razvoj kromatografskih metod za dolo~anje proantocianidinov v hrani in prehranskih dopolnilih«,
100
OTHER PARTNERS
Cooperation was going on with several
Slovenian companies (Lek d.d., Ljubljana; Krka
d.d., Novo mesto; Valens int. d.o.o., Ljubljana;
BIA Separations d.o.o., Ljubljana; Perutnina Ptuj
d.d., Ptuj; Fructal d.d., Ajdov{~ina; Pivovarna
Union d.d., Ljubljana) and institutions (Medical Centre Ljubljana; Veterinary Faculty, University of Ljubljana; Veterinary clinic, Ljubljana;
Biotechnical Faculty, University of Ljubljana; Institute of Public Health Maribor; Institute of
Public Health of the Republic of Slovenia,
Ljubljana; National Institute of Biology,
Ljubljana; Agency of the Republic of Slovenia
for Agricultural Markets and Rural Development, Ljubljana).
- European project: »New curriculum models
for educating food engineers« (TEMPUS
CD_JEP-40065-2005), 2006-2009, principal
researcher at NIC: Dr. Breda Simonovska
- Bilateral project Slovenia – Croatia: »Development of chromatographic methods for
determination of proanthocyanidins in food
and nutraceuticals« with University of Zagreb,
Faculty of Chemical Engineering and Technology (Zagreb, Croatia), principal researchers: Dr. Irena Vovk and Dr. Sandra Babi}, Assist. Prof.
nosilki: dr. Irena Vovk in doc. dr. Sandra Babi}
- Bilateralni projekt Slovenija – Makedonija s
Toba~nim in{titutom (Prilep) Univerze Sv.
Kliment Ohridski (Bitola): »Uvajanje novih
rastlinskih kultur z biolo{ko aktivnimi
komponentami zanimivimi za prehrambeno
in farmacevtsko industrijo«, nosilca: dr. Breda
Simonovska in dr. Kiril Filiposki
- Bilateralni projekt Slovenija - Srbija s Fakulteto
za farmacijo Univerze v Beogradu: »Dolo~anje
u~inkovin v prehranskih dopolnilih«, nosilki:
dr. Irena Vovk in prof. dr. Danica Agbaba
- HPLC-MS sistema LCQ in TSQ7000, Finnigan
- HPLC sistemi z razli~nimi detektorji (UV/VIS,
fluorescen~ni in detektor z nizom diod)
- Bilateral project: Slovenia – Macedonia: »Introduction of new crops with biologically
active compounds interesting for the food
and pharmaceutical industry« with University
of St. Kliment Ohridski (Bitola), Tobacco Institute (Prilep); principal researchers: Dr. Breda
Simonovska and Dr. Kiril Filiposki
- Bilateral project: Slovenia – Serbia: »Determination of active ingredients in dietary supplements« with University of Belgrade, Faculty of Pharmacy (Belgrade, Serbia); principal researchers: Dr. Irena Vovk and Prof. dr.
Danica Agbaba
MAJOR EQUIPMENT
- HPLC-MS systems LCQ in TSQ7000, Finnigan
- GC-17A s FID detektorjem, Shimadzu
- HPLC systems with different detectors (UV/
VIS, fluorescence and diode array)
- GC-MS TRACE ULTRA DSQII, Finnigan
- GC-17A with FID detector, Shimadzu
- vzor~evalnik iz parne faze (headspace do 210
- GC-MS TRACE ULTRA DSQII, Finnigan
SLIKA 2:
Vzor~enje na terenu.
FIGURE 2:
Sampling.
101
o
C) Perkin Elmer HS40XL (mo`nost priklopa
na oba GC sistema)
- CE: Spectra Physics Spectra Phoresis 500 z
UV-VIS detektorjem
- Avtomatski vzor~evalnik: TLC automatic sampler 4, Camag
- headspace sampler (up to 210 oC) Perkin
Elmer HS40XL (connectable to both GC systems)
- CE: Spectra Physics Spectra Phoresis 500 with
UV-VIS detector
- TLC automatic sampler 4, Camag
- Sistema za polavtomatsko nana{anje:
Linomat IV in Linomat 5, Camag
- TLC application systems: Linomat IV and
Linomat 5, Camag
- Denzitometer: TLC scanner 3, Camag
- Densitometer: TLC scanner 3, Camag
- Sistem za video dokumentacijo in vrednotenje
TLC kromatogramov: DigiStore 2 documentation system
- System for video documentation and evaluation of TLC chromatograms: DigiStore 2
documentation system
- SPE: Zymark Rapid Trace
- SPE Zymark Rapid Trace
Izobraèvanje:
- dr. Mitja Kri`man: trening »DQQ operations«,
Hemel Hempstead, Velika Britanija
Education:
- Dr. Mitja Kri`man: training “DQQ operations”, Hemel Hempstead, United Kingdom
- Katja Nediàvec: diplomsko delo z naslovom
“Primerjava lo~evanja nekaterih spojin s
tenkoplastno kromatografijo v razli~nih
kadeh”, komentor: dr. Mirko Pro{ek
- Katja Nediàvec: undergraduate thesis entitled “A comparison of separation of selected
compounds by thin-layer chromatography
using different developing chambers”, co-supervisor: Dr. Mirko Pro{ek
- Mateja Puklavec: diplomsko delo z naslovom
“Baza kemikalij na Kemijskem in{titutu”,
komentorica: dr. Irena Vovk
Obiski tujih raziskovalcev:
- v okviru evropskega projekta TEMPUS: prof.
dr. Slobodanka Kuzmanova, prof. dr. Eleonora
Winkelhausen in mag. Elena Veli~kova
(Univerza sv. Cirila in Metoda v Skopju,
Fakulteta za tehnologijo in metalurgijo,
Oddelek za prehrambno tehnologijo) ter
Biljana ûleva (Republi{ki zavod za za{~ito
zdravja Skopje, Laboratorij za analizo ìvil),
R. Makedonija
- v okviru bilateralnega projekta dr. Marija
Srbinoska, Toba~ni in{titut (Prilep), University
of St. Kliment Ohridski (Bitola), R. Makedonija
- v okviru bilateralnega projekta: prof. dr.
Danica Agbaba, prof. dr. Gordana Popovi} in
Slavica Filipi} (doktorandka), Fakulteta za
farmacijo Univerze v Beogradu, Beograd,
Srbija
102
- Mateja Puklavec: undergraduate thesis entitled “Database of chemicals at the National
Institute of Chemistry”, co-supervisor: Dr.
Irena Vovk
Visits of foreign researchers:
- In the frame of the European project TEMPUS: Prof. dr. Slobodanka Kuzmanova, Prof.
Dr. Eleonora Winkelhausen, Elena Veli~kova,
M. Sc. (all from Ss. Cyril and Methodius University in Skopje, Faculty of Technology and
Metallurgy, Department for Food Technology)
and Biljana ûleva (The Republic Institute for
Health Protection; Skopje, Laboratory for
Food Analysis), Skopje, R. Macedonia
- In the frame of bilateral project with Tobacco
Institute (Prilep), University of St. Kliment
Ohridski (Bitola, R. Macedonia): Dr. Marija
Srbinoska
- In the frame of bilateral project with Faculty
of Pharmacy University of Belgrade, Serbia:
- v okviru bilateralnega projekta: dr. Dragana
Mutavdì} Pavlovi} in dr. Danijela A{perger,
Fakulteta za kemijsko inènirstvo in tehnologijo Univerze v Zagrebu, Zagreb, Hrva{ka
- prof. dr. Heikki Vuorela, Fakulteta za farmacijo
Univerze v Helsinkih, Helsinki, Finska
- prof. dr. Pia Vuorela, Abo Akademi University, Oddelek za biokemijo in farmacijo, Turku,
Finska
Gostovanja:
- dr. Breda Simonovska in dr. Irena Vovk sta
gostovali na Fakulteti za farmacijo Univerze
v Helsinkih, Finska
- Vesna Glavnik in Mitja Martelanc sta
gostovala na Fakulteti za kemijsko inènirstvo
in tehnologijo Univerze v Zagrebu, Hrva{ka
- dr. Mitja Kri`man, dr. Breda Simonovska, dr.
Irena Vovk, Vesna Glavnik in Mitja Martelanc
so gostovali na Fakulteti za farmacijo Univerze
v Beogradu, Srbija
- dr. Breda Simonovska je prisostvovala
sestankoma konzorcija evropskega projekta
Tempus CD_JEP-40065-2005 v Makedoniji in
na Portugalskem
Prof. Dr. Danica Agbaba, Prof. Dr. Gordana
Popovi}, Slavica Filipi} (Ph.D. student)
- In the frame of bilateral project with Faculty
of Chemical Engineering and Technology,
University of Zagreb, Croatia: Dr. Dragana
Mutavdì} Pavlovi}, Dr. Danijela A{perger
- Prof. Dr. Heikki Vuorela, Faculty of Pharmacy,
University of Helsinki, Helsinki, Finland
- Prof. Dr. Pia Vuorela, Abo Akademi University, Department of Biochemistry and Pharmacy, Turku, Finland
Visits of foreign institutions:
- Dr. Breda Simonovska and Dr. Irena Vovk visited Faculty of Pharmacy, University of Helsinki, Helsinki, Finland
- Vesna Glavnik and Mitja Martelanc visited
Faculty of Chemical Engineering and Technology, University of Zagreb, Zagreb, Croatia
- Dr. Mitja Kri`man, Dr. Breda Simonovska, Dr.
Irena Vovk, Vesna Glavnik and Mitja Martelanc visited Faculty of Pharmacy University of
Belgrade, Belgrade, Serbia
- Dr. Breda Simonovska attended two meetings of the consortium of the European TEMPUS project CD_JEP-40065-2005 in the R. of
Macedonia and Portugal
103
Letno poro~ilo 2008
Annual report 2008
104
Laboratorij za polimerno kemijo in tehnologijo
Laboratory for Polymer Chemistry and Technology
L07
dr. Alojz An`lovar
dr. Miroslav Huski}
mag. Edita Jasiukaityte / M.Sc.
dr. Andrej Kràn
doc. dr. Matja` Kunaver / Assist. Prof.
dr. Ida Mav Gole` (do / till 29. 2. 2008)
doc. dr. Ida Poljan{ek / Assist. Prof.
dr. Ema @agar
VODJA / HEAD
izr. prof. dr. Majda @igon
YOUNG RESEARCHERS
Bla` Brulc
Nata{a ûk (od / from 1. 10. 2008)
Maja Gri~ar (do / till 30. 4. 2008)
Tina [migovec
David Pahovnik
PRIPRAVNICI / TRAINEES
Nata{a ûk (od / from 22. 8. do / till 30. 9.
2008)
Jasmina Turn{ek (do / till 25. 7. 2008)
Jasmina Turn{ek (od / from 26. 7. 2008)
Miran Lavri~
Polona Prosen
Meta Skumavc
Mirjana [irca
105
PODRO^JA DEJAVNOSTI
Raziskave so potekale v okviru raziskovalnega
programa P2-0145-0104 (Polimeri s posebnimi
lastnostmi) in projektov, projektov za industrijske partnerje, projekta 6. Okvirnega
programa EU, evropske mreè odli~nosti in
bilateralnih projektov.
Podro~ja dejavnosti L07 so:
- Biorazgradljivi polimeri
RESEARCH ACTIVITIES
Research was conducted in the frame of the
research programme P2-0145-0104 (Specialty
Polymers), and projects, projects with industrial
partners, European projects (6th FP), Network
of Excellence (6th FP), and bilateral research
projects.
Research activities of L07:
- Biodegradable polymers
- Visoko razvejeni polimeri
- Hyperbranched polymers
- Polimeri iz obnovljivih surovin
- Polymers from renewable resources
- Prevodni polimeri in kompoziti
- Conductive polymers and composites
- Nanodelci, polimerni nanokompoziti
- Samo~istilni fotokatalitski premazi
- Nanoparticles, polymer-based nanocomposites
- Premazni sistemi z nizko vrednostjo HOS
- Self-cleaning photocatalytic coatings
- Recikliranje sinteti~nih polimerov
- Coating systems with low VOC amounts
- Lastnosti polimerov in polimernih materialov
- Recycling of synthetic polymers
- Razvojne raziskave in storitve, predvsem na
podro~ju veziv, termoplastov in recikliranja
- Properties of polymers and polymeric materials
- Analiza in karakterizacija polimerov s
spektroskopskimi (FTIR, NMR), kromatografskimi (GC, GC-MS, IGC, SEC, SECMALS), mikroskopskimi (SEM, STEM) in
termi~nimi (DSC) metodami za raziskave in
trg
- Applied and development research, especially
in the area of binders, thermoplastics, and
recycling
106
- Analysis and characterization of commercial
polymers by spectroscopic (FTIR, NMR), microscopic (SEM, STEM), chromatographic
BIBLIOGRAFIJA
1 kratki znanstveni prispevek
1 strokovni ~lanek
1 intervju
2 objavljena znanstvena prispevka na
konferencah (vabljeni predavanji)
konferencah
2 patentni prijavi
3 patenti
3 predavanja na tujih univerzah
1 prispevek na konferenci brez natisa
3 vabljena predavanja na konferencah brez
natisa
2 elaborata, pred{tudiji, {tudiji
1 izvedensko mnenje, arbitra`na odlo~ba
1 diploma
1 magisterij
1 doktorat
8 uredni{tev revij
- V okviru raziskav poliesteramidnih kopolimerov na osnovi asparaginske in mle~ne
kisline smo razvili sintezne poti, ki nam
omogo~ajo pripravo kopolimerov z na~rtovano sestavo, kar omogo~a modificiranje
klju~nih lastnosti, kot je npr. topnost. Te
biorazgradljive in biokompatibilne kopolimere bomo uporabili v obliki nanodelcev za
nadzorovano spro{~anje zdravilnih u~inkovin.
Sintetizirali smo amfifilne multiblok- in
diblokkopolimere poli(L,L-laktid-ko-L-asparaginska kislina) (PLAA) z razli~nimi razmerji
komonomerov. Multiblokkopolimere PLAA
smo sintetizirali v talini, s segrevanjem zmesi
L-asparaginske kisline in L,L-laktida brez
dodanega katalizatorja, medtem ko smo
sintezo diblokkopolimerov PLAA izvedli s
kopolimerizacijo poli(β-benzil L-aspartata) in
L,L-laktida v raztopini THF/dioksan. Kopo-
(GC, GC-MS, IGC, SEC, SEC-MALS) and thermal techniques (DSC)
BIBLIOGRAPHY
1 Short Scientific Article
1 Interview
2 Published Scientific Conference Contributions (Invited Lectures)
2 Patent Applications
3 Patents
1 Unpublished Conference Contribution
1 Expertise, Arbitration Decision
1 Undergraduate Thesis
1 Master’s Thesis
- We developed synthetic methods for polyesteramide copolymers based on aspartic and
lactic acids that allow preparation of copolymers with predictable composition through
which we can modify key properties such as
solubility. These biodegradable and biocompatible copolymers will be used as nanoparticles for controlled delivery of drugs. We
synthesized the amphiphilic multiblock and
diblock poly(L,L-lactide-co-L-aspartic acid)
(PLAA) copolymers of different comonomer
composition. Multiblock PLAA copolymers
were prepared by heating a mixture of L-aspartic acid and L,L-lactide in melt without
additional catalysts, whereas the diblock
PLAA copolymers were synthesized by
copolymerization of the amino terminated
107
limeri PLAA, sintetizirani v talini, so multiblokkopolimeri z delno razvejeno strukturo,
medtem ko so kopolimeri, sintetizirani v
raztopini, linearni diblokkopolimeri z dobro
definirano dolìno obeh blokov. Obe vrsti
kopolimerov imata primerljive povpre~ne
molske mase reda velikosti 103–104 g/mol,
vendar pa imajo diblokkopolimeri o`jo
porazdelitev molskih mas.
- Pripravili smo homogene nanokompozite iz
cink(II) oksida in polimetilmetakrilata (ZnO/
PMMA) za potencialno uporabo v aplikacijah
z visoko UV in termi~no obremenitvijo (ve~ v
opisu izbranega dose`ka laboratorija).
- Pripravili smo nanokompozite iz nenasi~ene
poliestrske smole in modificiranega montmorilonita (MMT) ter jim dolo~ili mehanske
lastnosti. Uporabili smo komercialen, s
kvarterno amonijevo soljo modificiran MMT
ter MMT, ki smo ga modificirali z na{im
poliestrom s stranskimi verigami. Mehanske
lastnosti nanokompozita so bolj{e pri uporabi
poliestrsko modificiranega MMT.
- Z ekstrudiranjem smo pripravili nanokompozite iz polistirena (PS) in titanatnih
nanotrakov (NT) ter nanocevk (NC). NT se
homogeno porazdelijo po PS matrici,
medtem ko NC tvorijo agregate. Bolj{a
homogenizacija NT se kaè tudi v izbolj{anju
nateznih lastnosti nonokompozita. Rezulati
kaèjo, da je ekstrudiranje u~inkovita metoda
za pripravo nanokompozitov iz titanatnih
nanotrakov.
- Pripravili smo kompozite iz polipropilena in
odpadne fenolformaldehidne smole. Kompoziti so primerni za oblikovanje z ekstrudiranjem in injekcijskim vbrizgavanjem ter
imajo dovolj dobre mehanske lastnosti, da
so se za~ela industrijska testiranja.
- Uteko~injen les iz lignoceluloznih materialov,
kot so odpadni les, papir, bomba` in drugo,
kjer je glavna sestavina celuloza, smo
uporabili kot surovino za sintezo razli~nih
poliestrov, ki se uporabljajo pri izdelavi lepil
in poliuretanov. Pri tem smo kot glavni
108
poly(β-benzyl L-aspartate) homopolymer and
L,L-lactide in THF/dioxane solution. The PLAA
copolymers synthesized in melt were found
to be multiblock copolymers with partially
branched structure, whereas those synthesized in solution were linear diblock copolymers with well defined length of both blocks.
Both PLAA copolymers have comparable
molar mass averages in the range of 103–104
g/mol, but they differ in molar mass distribution, which is narrower for diblock copolymers.
- We prepared homogeneous zinc(II) oxide/
poly(methylmethacrylate) (ZnO/PMMA)
nanocomposites with potential applications
as UV and thermally stabilized PMMA sheets
for outdoor applications (see a description
of the selected lab’s achievement).
- Nanocomposites were prepared using unsaturated polyester and modified montmorillonite (MMT) and their mechanical properties were determined. We used commercial MMT modified with quaternary ammonium salt and MMT modified with side-chain
polyester. Mechanical properties of nanocomposite were better when MMT modified
with polyester was used.
- Polystyrene (PS) nanocomposites with
titanate nanotubes (NT) and titanate
nanoribbons (NR) were prepared by an extrusion process. NR are homogeneously distributed within the PS matrix during the extrusion process, while NT form aggregates.
Better homogeneity of NR result in better
tensile properties. The results show that extrusion can be a effective method to prepare
nanocomposites based on NR.
- We prepared the composites of polypropylene (PP) and waste phenolformaldehide
resin. Composites can be processed by extrusion or injection moulding and have good
mechanical properties which enabled us industrial testing.
- We have utilized the liquefied wood, prepared from lignocellulosic materials such as
reaktant uporabili glicerin, ki je stranski
produkt proizvodnje biodizla. Postopke smo
preizkusili v industrijskem pilotnem reaktorju
in pripravili izhodi{~a za kontinuirno industrijsko proizvodnjo.
- Najpomembnej{i doseèk na tem podro~ju
je izdelava lepil na osnovi uteko~injenega lesa
za izdelavo ivernih, vezanih plo{~. Dokazali
smo, da tak{no lepilo emitira manj kot 5 mg/
100 g formaldehida, kar je manj, kot zahteva
evropski standard (8 mg/100 g). Lepila
utrjujejo pri ni`ji temperaturi in s tem
omogo~ajo energetski prihranek.
- [tudirali smo uteko~injanje razli~nih vrst
celuloze v etilenglikolu v prisotnosti ptoluensulfonske kisline ali `veplove(VI) kisline
kot katalizatorja. Potek uteko~injanja smo
spremljali z gravimetri~nimi analizami,
ostanek pa smo analizirali z rentgensko
difrakcijo in velikostno izklju~itveno kromatografijo. Amorfni deli celuloze se razgradijo
è v prvi minuti reakcije, kristalini~ni pa
ostanejo stabilni bistveno dalj ~asa, ~eprav
se na koncu tudi razgradijo.
- Uteko~injanje lesa in drugih lignoceluloznih
materialov smo raziskali tudi z uporabo
mikrovalov. Prednost postopka je hitra
pretvorba in delno spremenjena sestava
produktov pretvorbe.
wood wastes, paper, cotton and other
biomass with the main component cellulose,
as the feedstock for the synthesis of different polyesters with a potential use in adhesives and polyurethanes. Glycerol, the industrial byproduct from the production of
biodiesel, has been utilized in our experiments
as the main reactant in liquefaction of wood.
Experimental procedures were tested in the
pilot reactor production. Technology and reaction parameters are optimized for the industrial continuous production.
- The main practical value of our research in
this field is the utilization of the liquefied
lignocellulosic materials as an adhesive for
the wood particle boards and plywood
boards. We have proven that such adhesives
emit less than 5mg/100g of formaldehyde
that is lees than the European standard limitations (8mg/100g). Such adhesives have
been used at lower pressing temperature thus reducing the energy consumption.
- We studied liquefaction of different wood
pulp cellulose in ethylene glycol in the presence of p-toluene sulfonic acid monohydrate
or sulphuric acid being the catalysts. This liquefaction was studied by gravimetric analysis, X-ray diffraction of the residual cellulose
(a)
(b)
SLIKA 1:
FIGURE 1:
SEM mikrografija nano ZnO, 100 nm (a) in TEM
mikrografija nanokompozita ZnO/PMMA z 1 %
ZnO, 100 nm (b).
SEM micrograph of nano ZnO, 100 nm (a) and TEM
micrograph of ZnO/PMMA nanocomposite containing 1 % of ZnO, 100 nm (b).
109
- Na teoretskem nivoju smo prou~evali skrajne
oblike hipoteti~nih in realnih polimerov z
visoko stopnjo oksidacije. [tudija je dala
dolo~ene zaklju~ke, ki pomagajo razjasnjevati
vpliv primarne strukture na stabilnost
polimerov – ter s prakti~nega vidika na
nagnjenost k okoljski in bio-razgradnji.
- Na podro~ju recikliranja industrijskih polimernih odpadkov smo z industrijskim partnerjem
Kolpa d.d., Metlika, razvili postopek izdelave
kompozitnih plo{~ za vgradnjo v kopalni{ke
kadi in postopek tudi za{~itili.
DRUGIMI PARTNERJI
- Gozdno gospodarstvo Postojna d.o.o.: Razvoj
tehnologije uteko~injanja lesa in uporabe za
lepila
- Razvojni in{titut Savatech d.o.o., Kranj:
sodelovanje pri raziskovalnem programu in
projektu na podro~ju elastomernih nanokompozitov
- Lek d.d., Ljubljana: raziskovalno-razvojno
sodelovanje
- Kolpa d.d., Metlika: razvoj postopkov
ponovne uporabe industrijskih polimernih
odpadkov
- Belinka Perkemija d.o.o., Ljubljana: raziskovalno-razvojno sodelovanje
and by monitoring of the molar mass decrease over different time intervals, using size
exclusion chromatography. The disordered
regions degraded in the initial minute of liquefaction. However, the highly ordered cellulose regions remained relatively stable for a
longer time. None the less, partial degradation of the highly ordered regions of the cellulose was achieved.
- In the frame of studies of renewable resource
utilization we studied liquefaction of wood
and other lignocellulosic materials with the
use of microwaves. The advantage of this
approach is a very rapid conversion and a
changed composition of products.
- At the theoretical level we studied extreme
forms of hypothetical and real polymers with
high oxidation levels. The study offered conclusions that help explain the effect of primary structure on the ability of polymers, and
from a practical point of view the tendency
toward environmental and bio-degradation.
- In the area of industrial polymer waste recycling we developed together with the industrial partner Kolpa, d.d., a process for the
production of composite boards for incorporation into bathtubs. The process was patented.
- KLI Logatec in Biotehni{ka fakulteta Univerze
v Ljubljani: sodelovanje pri aplikativnem
projektu na podro~ju sinteze veziv in razvoja
novih premaznih sistemov z nizko vrednostjo
HOS za lesno industrijo
OTHER PARTNERS
- Gozdno gospodarstvo Postojna d..o.o.,
Slovenia: R&D collaboration on the technology of the wood liquefaction and its utilization in adhesives
- Fakulteta za strojni{tvo, Univerza v Ljubljani
in Institut Joèf Stefan: raziskovalni projekt
na podro~ju polimernih nanokompozitov
- Research & Technology Institute Savatech,
d.o.o., Kranj, Slovenia: Elastomeric nanocomposites (research program and project)
- Julon d.d., Ljubljana, sodelovanje pri razvojnih
nalogah
- Lek, d.d., Ljubljana, Slovenia: research and
development collaboration
- Kolektor Sikom d.o.o.: sodelovanje pri
projektu EUREKA E! 4116: Development of
new material and product application with
reuse of thermosets, akronim Thermoset Reuse
- Kolpa d.d., Metlika, Slovenia: research and
110
- Belinka Perkemija d.o.o., Ljubljana, Slovenia:
research and development collaboration
- Tehnolo{ka platforma Napredni materiali in
tehnologije (NaMaT)
- ZORD, Ljubljana: raziskovalno-razvojno
sodelovanje
- KLI Logatec and Biotechnical Faculty, University of Ljubljana, Slovenia: Binders and novel
coatings systems with low content of VOC
for wood industry (applied project)
- Za razli~ne partnerje iz industrije (Kolektor
Sikom d.o.o., Fibran Nord d.o.o., Tekstilna
tovarna Okroglica d.d., itd.) analiziramo
polimerne in druge materiale ter re{ujemo
strokovne probleme
- Faculty of Mechanical Engineering, University of Ljubljana, and Joèf Stefan Institute,
Ljubljana, Slovenia: Polymer-based nanocomposites (research project)
- Sodelovanje pri projektu 6. OP EU, 20062009, Nanoscale functionalities for targeted
delivery of biopharmaceutics, akronim
NanoBioPharmaceutics
- Kolektor Sikom d.o.o., Slovenia: collaboration on the project EUREKA E! 4116: Development of new material and product application with reuse of thermosets, acronym
Thermoset Reuse
- Sodelovanje pri mreì odli~nosti, 6. OP EU,
2004-2008: Nanostructured and functional
polymer-based materials and nanocomposites, akronim Nanofun-poly
- Technological platform Advanced Materials
and Technologies
- Centre for Polymer and Carbon Materials,
Zabrze, Poljska, Marie Curie Centre of Excellence: {tudijska izmenjava
- We analyse polymeric materials and solve
professional problems for our industrial partners (Kolektor Sikom d.o.o., Fibran Nord
d.o.o., Tekstilna tovarna Okroglica d.d.... (all
Slovenia))
- ICS-UNIDO Trst, Italija: sodelovanje na
programu Applied Chemistry – Biodegradable
plastics
- Julon, d.d., Ljubljana, Slovenia: research and
- ZORD, Ljubljana, Slovenia: research and development cooperation
- Bilaterala: Slovenija – ê{ka 2007-2008, Department of Physical and Macromolecular
Chemistry, Faculty of Science, Charles University, Praga: Nanostrukturni polimerni kompozitni sistemi za uporabo v son~nih celicah
in elektronskih napravah
INTERNATIONAL COLABORATION
- Participation in the Integrated Project, 6th EC
Framework Program 2006-2009: Nanoscale
functionalities for targeted delivery of
biopharmaceutics, acronym NanoBioPharmaceutics
- Bilaterala: Slovenija – Hrva{ka 2007-2008,
Fakultet kemijskog inènjerstva i tehnologije,
Sveu~ili{te u Zagrebu: Polimerni nanokompozitni materiali na osnovi montmorilonita
- Network of Excellence, 6th Framework Program 2004-2008: Nanostructured and functional polymer-based materials and nanocomposites, acronym Nanofun-poly
- Bilaterala: Slovenija – Poljska 2008-2009,
Center of Molecular and Macromolecular
Studies, Polish Academy of Sciences, Lodz:
Blokkopolimeri na osnovi polilaktida in
poliaminokislin kot nosilci za u~inkovine
- Centre for Polymer and Carbon Materials,
Zabrze, Poland; invited researcher at the
Marie Curie Centre of Excellence
- Diferen~ni dinami~ni kalorimeter Pyris 1,
Perkin Elmer
- Bilateral collaboration between Slovenia and
Czech Republic 2007-2008, Department of
- ICS-UNIDO Trieste, Italy: collaboration at the
programme Applied Chemistry – Biodegradable plastics
111
- FTIR spektrometer Spectrum One, Perkin
Elmer
- Plinski kromatograf GC 8700, Perkin Elmer
- Souporaba plinskega kromatografa Hewlett
Packard Agilent 6890N z masno selektivnim
detektorjem 5973N
- Teko~inski kromatograf z UV, RI (Perkin Elmer,
Hewlett Packard) in ELS 2100 (Polymer Laboratories) detektorji za meritve SEC in
dvodimenzionalne kromatografije
- Teko~inski kromatograf (Hewlett Packard) z
detektorjem na sipanje svetlobe Dawn Heleos
in interferometri~nim refraktometrom
Optilab Rex (Wyatt Technology Corporation)
za meritve SEC-MALS in SLS
- Suha komora Uni-Lab 1200780, M. Braun
- Souporaba SEM in STEM: vrsti~ni elektronski
mikroskop s poljsko emisijo FE-SEM SUPRA
35 VP, Carl Zeiss, z energijsko disperzivno
spektroskopijo Inca 400 (Oxford Instruments)
- Souporaba krio-ultramikrotoma Leica UC6/
FC6
- Souporaba velike in{titutske opreme (NMR
300 MHz, 600 MHz in 800 MHz, WAXS, LCMS)
- Souporaba mikrovalovne pe~ice Milestone
MLS 1200 Mega
- Dvopol`ni laboratorijski ekstruder Teach-Line
ZK 25T z vodno kopeljo in granulatorjem, Dr.
Collin
- Stroj za injekcijsko vbrizgavanje Babyplast,
Rambaldi+Co.
[tirje sodelavci L07 so habilitirani za sodelovanje
pri do- in podiplomskem izobraèvanju na
Univerzi v Ljubljani.
Mentorstva, komentorstva
Doktorska disertacija:
- Maja Gri~ar: “Opredelitev kopolimerov
asparaginske in mle~ne kisline s kromatografskimi metodami in sipanjem svetlobe”,
Univerza v Ljubljani.
112
Physical and Macromolecular Chemistry, Faculty of Science, Charles University, Prague:
Nanophase polymer-composite systems for
solar cells and electronic devices
Croatia 2007-2008, Faculty of Chemical Engineering and Technology, University of
Zagreb: Polymer nanocomposites based on
montmorillonites
Poland 2008-2009, Center of Molecular and
Macromolecular Studies, Polish Academy of
Sciences, Lodz: Block copolymers based on
polylactide and poly(amino acids) as drug
carriers
MAJOR EQUIPMENT
- Differential scanning calorimeter Pyris 1,
Perkin Elmer
- FTIR spectrometer Spectrum One, Perkin
Elmer
- Gas chromatograph GC 8700, Perkin Elmer
- Joint use of a gas chromatograph Hewlett
Packard Agilent 6890N with a mass selective detector 5973N
- Liquid chromatograph with UV, RI (Perkin
Elmer, Hewlett Packard), and ELS 2100 detectors (Polymer Laboratories) for SEC measurements and for two-dimensional chromatography
- Liquid chromatograph (Hewlett Packard)
with a multi-angle light scattering photometer Dawn Heleos and interferometric refractometer Optilab Rex (Wyatt Technology
Corp., USA), which are used as detectors in
SEC-MALS or independently for static light
scattering measurements (SLS)
- Stainless steel glove-box system Uni-Lab
1200780, M. Braun
- Joint use of a microwave oven Milestone MLS
1200 Mega
- Joint use of large Institute’s equipment (NMR
300 MHz, 600 MHz and 800 MHz, WAXS,
LC-MS)
Magisterij:
- Gregor Ko~evar: “Predelava in uporaba
odpadnega akrilatno / poliestrskega kompozita”, Univerza v Ljubljani.
Diploma:
- Nata{a ûk: “Optimizacija uteko~injenja lesa
razli~nih drevesnih vrst”, Univerza v Ljubljani.
- Joint use of SEM and STEM: Field emission
scanning electron microscope FE-SEM SUPRA
35 VP, Carl Zeiss, equipped with energy dispersive spectroscopy Inca 400 (Oxford Instruments)
- Joint use of crio-ultramicrotom Leica UC6/
FC6
Obiski:
- Prof. dr. Andrzej Duda, Center of Molecular
and Macromolecular Studies, Polish Academy
of Sciences, Lodz, Poljska; sodelovanje na
podro~ju biorazgradljivih polimerov
- Twin screw extruder Teach-Line ZK 25T with
water bath and strand pelletizer, Dr. Collin
- Prof. dr. Stanislaw Penczek, Center of Molecular and Macromolecular Studies, Polish Academy of Sciences, Lodz, Poljska; sodelovanje
na podro~ju biorazgradljivih polimerov
EDUCATION AND VISITS
Four members of L07 are qualified for teaching and mentorship at the University of Ljubljana
Mentorship, comentorships
Ph.D. Thesis:
- Maja Gri~ar: “Characerization of the copolymers af aspartic and lactic acids by chromatographic methods and light scattering”, University of Ljubljana, Slovenia
- Prof. dr. Claudia Crestini, Univerza Tor Vergata,
Rim, Italija; sodelovanje na karakterizaciji
razgradnih produktov lignina in lesa
- Obiski v okviru bilateralnega sodelovanja:
prof. dr. Jirí Vohlídal in mag. Olga Trhlíková,
Charles University, Praga, ê{ka; prof. dr.
Marko Rogo{i} in mag. Ivan Brnardi},
Univerza v Zagrebu, Hrvatska
Gostovanja
- Dr. Andrej Kràn, Centre for Polymer and Carbon Materials, Zabrze, Poljska
- David Pahovnik, Charles University, Faculty of
Science, Department of Physical and Macromolecular Chemistry, Praga, ê{ka; bilateralno
sodelovanje na podro~ju prevodnih polimerov
- Bla` Brulc, Center of Molecular and Macromolecular Studies, Polish Academy of Science,
Lodz, Poljska; bilateralno sodelovanje na
podro~ju biorazgradljivih polimerov
Nanokompoziti PMMA/ZnO z visoko UV
absorbcijo in izbolj{ano termi~no stabilnostjo
Pripravili smo homogene nanokompozite iz
cink(II) oksida in polimetilmetakrilata (ZnO/
PMMA) za potencialno uporabo v aplikacijah z
visoko UV in termi~no obremenitvijo. Uspe{no
smo sintetizirali nano (100 nm) in submi-
- Injection moulding machine Babyplast,
Rambaldi+Co.
M.Sc. Thesis:
- Gregor Ko~evar, “Processing and use of waste
acrylic / polyester composite”, University of
Ljubljana, Slovenia
B.Sc. Thesis:
- Nata{a ûk: “Wood liquefaction optimization of different wood species”, University of
Ljubljana, Slovenia
Visits to Slovenia:
- Prof. Dr. Andrzej Duda, Center of Molecular
and Macromolecular Studies, Polish Academy
of Sciences, Lodz, Poland: collaboration in the
field of biodegradable polymers
- Prof. Dr. Stanislaw Penczek, Center of Molecular and Macromolecular Studies, Polish
Academy of Sciences, Lodz, Poland: collaboration in the field of biodegradable polymers
- Prof. Dr. Claudia Crestini, University Tor
Vergata, Rome, Italy: Characterisation of the
products of the lignin and wood liquefaction
- Visitors in the frame of bilateral collaboration: Prof. Dr. Jirí Vohlídal and Olga Trhlíková,
113
krometerske (300 nm) delce ZnO z ozko
porazdelitvijo delcev in organofilno povr{ino po
poliolni metodi (slika 1a) in jih uporabili za
pripravo ZnO/PMMA nanokompozitov z
radikalsko veri`no polimerizacijo MMA v masi.
Prednost na{ega postopka je priprava homogenih nanokompozitov ZnO/PMMA (slika 1b)
le z uporabo nemodificiranih ZnO delcev, brez
drugih dodatkov. Dodani nano ZnO absorbira
ve~ kot 98 % vpadne UV svetlobe v obmo~ju
od 290 do 380 nm è pri koncentraciji 0,1 ut.
% (Slika 2). Poleg izjemne UV absorbcije nano
ZnO znantno izbolj{a stabilnost na son~ni
svetlobi in termi~no stabilnost nanokompozitov
pri koncentraciji 1 ut % in ve~ (Slika 3).
M.Sc., Charles University, Prague, Czech republic; Prof. Dr. Marko Rogo{i} and Ivan
Brnardi}, M. Sc., University of Zagreb, Croatia
Visits abroad:
- Dr. Andrej Kràn, Centre for Polymer and
Carbon Materials, Zabrze, Poland
- David Pahovnik, Charles University, Faculty of
Science, Department of Physical and Macromolecular Chemistry, Prague, Czech Republic: bilateral collaboration in the field of conductive polymers
- Bla` Brulc, Center of Molecular and Macromolecular Studies, Polish Academy of Science,
Lodz, Poland: bilateral collaboration in the
field of biodegradable polymers
PMMA/ZnO nanocomposites with high UV
absorption and enhanced thermal stability
We prepared homogeneous zinc(II) oxide/
poly(methylmethacrylate) (ZnO/PMMA) nanocomposites with potential applications as UV
SLIKA 2:
UV transmitanca nanokompozitov ZnO/PMMA pri
FIGURE 2:
UV transmittance of ZnO/PMMA nanocomposites at
290 (A), 320 (B) in 360 nm (C) v odvisnosti od
koncentracije ZnO, 100 nm.
290 nm (A), 320 nm (B), and 360 nm (C), in dependence of the concentration of ZnO, 100 nm.
114
and thermally stabilized PMMA sheets for outdoor applications. ZnO nano (100 nm) and
submicrometer particles (300 nm) with narrow
particle size distribution and organophillic surface were successfully synthesized by the polyol
method (Fig. 1a) and were used for the preparation of ZnO/PMMA nanocomposites by the
radical chain polymerization of MMA in bulk.
The advantage of this method is in preparation
of homogeneous nanocomposites (Fig. 1b) using only non-modified ZnO nanoparticles, without any other additives. Very low concentrations of zinc oxide (0.1 wt. %) absorbed above
98 % of the incident UV light in the region between 290 and 380 nm (Fig. 2). Besides extraordinary UV absorption properties of ZnO/
PMMA, also stability towards sunlight as well
as thermal stability are substantially improved
at ZnO concentrations of 1 wt. % and higher
(Fig. 3).
SLIKA 3:
FIGURE 3:
DTG krivulje nanokompozitov ZnO/PMMA z razli~no
koncentracijo ZnO, 100 nm.
DTG curves of ZnO/PMMA nanocomposites with different ZnO contents.
115
Letno poro~ilo 2008
Annual report 2008
116
Laboratorij za organsko sintezo in kemijo zdravil
Laboratory for Organic and Medicinal Chemistry
L08
Laboratorij za organsko sintezo
in kemijo zdravil
Laboratory for Organic and
Medicinal Chemistry
dr. Joè Kobe
dr. Michel Stephan
dr. Damjan [terk
MLADI RAZISKOVALEC /
YOUNG RESEARCHER
Borut Zupan~i~
VODJA / HEAD
dr. Barbara Mohar
prof. dr. Janez Plavec
(v. d. od julija / temporary head from July)
Miha Steinbücher (do septembra / till September)
Matja` Brvar (do julija / till July)
117
PODRO^JA DEJAVNOSTI
- Razvoj novih metodologij organske kemije na
podro~ju asimetri~ne sinteze in homogene
katalize
RESEARCH ACTIVITIES
- Development of new organic chemistry methodologies based on asymmetric synthesis and
homogeneous catalysis
- Sinteza opti~no aktivnih organskih spojin
- Synthesis of optically active organic compounds
- Raziskave in razvoj novih sintetskih poti do
industrijsko zanimivih molekul
(http://www.ki.si/raziskovalne-enote/l08laboratorij-za-organsko-sintezo-in-kemijozdravil/)
BIBLIOGRAFIJA
1 izvirni znanstveni ~lanek
1 objavljeni strokovni prispevek na
1 patent
1 doktorat
1 uredni{tvo revije
Asimetri~no hidrogeniranje
Pripravili smo novo serijo analogov Knowlesovega DiPAMP liganda (DiPAMP= 1,2-bis ¢(oanizil)(fenil)fosfino¥etan) z vklju~itvijo razli~nih
118
- Research and development of new synthetic
routes towards industrially interesting molecules
(http://www.ki.si/en/research-departments/l08laboratory-for-organic-and-medicinal-chemistry/
BIBLIOGRAPHY
1 Original Scientific Article
Contribution (Invited Lecture)
1 Patent
Asymmetric hydrogenation
We have prepared a series of Nobel laureate
substituentov (MeO, TMS, tBu, Ph, zlit benzenov
obro~) na o-anizilni skupini DiPAMP-a. Nove
ligande smo ovrednotili na Rh-kataliziranem
hidrogeniranju razli~nih modelnih substratov,
kot so: metil alfa-acetamidoakrilat, metil (Z)alfa-acetamidocinamat, metil (Z)-beta-acetamidokrotonat, dimetil itakonat in atropi~na
kislina. Zmogljivost novih ligandov je bila v
primerjavi z DiPAMP-om bolj{a: v ve~ini
primerov smo dosegli pove~ano aktivnost in
zvi{ano enantioselektivnost, {e posebaj s P(2,3,4,5-tetra-MeO-Ph)-substituiranim ligandom, ki smo ga poimenovali ‘’4MeBigFUS’’.
[e posebaj se je modificiranje DiPAMP-a izkazalo
kot zelo u~inkovito v primeru hidrogeniranja
atropi~ne kisline do alfa-fenil-propanojske
kisline z Rh-(4MeBigFUS) katalizatorjem pod
milimi pogoji (10 bar H2, sobna temperatura),
ki je poteklo z 88% enantiomernim prese`kom
(ee), medtem ko da hidrogeniranje z Rh-DiPAMP
katalizatorjem 7% ee. Nesteroidne alfa-arilpropanojske kisline so pomemben razred
molekul s protivnetnimi lastnostmi. Ta rezultat
predstavlja pomemben doseèk v kemiji rodija
in potrjuje smiselnost sinteze in {tudija serij
tovrstnih spojin.
Knowles’ DiPAMP ligand analogues by incorporating various substituents (ex. MeO, TMS,
tBu, Ph, fused benzene ring) onto the o-anisyl
groups of DiPAMP. The new ligands were evaluated in Rh-catalyzed hydrogenation of several
model substrates: methyl alpha-acetamidoacrylate, methyl (Z)-alpha-acetamidocinnamate,
methyl (Z)-beta-acetamidocrotonate, dimethyl
itaconate, and atropic acid. The overall performance of the new ligands was better than of
DiPAMP: enhanced activities and increased
enantioselectivities were obtained in almost all
cases, particularly with the P-(2,3,4,5-tetraMeO-Ph)-substituted ligand which we dubbed
‘’4MeBigFUS’’. Also, one example in the series
possessing P-(2,6-di-MeO-Ph) groups proved to
slow down considerably the hydrogenation.
This constitutes the first testing in literature for
hydrogenation using such encumbered Pstereogenic diphosphine ligands.
In particular, the modification of DiPAMP proved
to be very beneficial as 88% enantiomeric excess (ee) was obtained in hydrogenation of
atropic acid towards alpha-phenyl-propanoic
acid using Rh-(4MeBigFUS) catalyst under mild
conditions (10 bar H2, RT) versus 7% ee using
Rh-DiPAMP. Nonstereoidal alpha-aryl-propanoic
acids are important class of molecules possessing antiinflamatory property. This result consti-
SLIKA 1:
Novi ligandi in ORTEP slika
FIGURE 1:
New ligands and ORTEP drawing of ¢ Rh((R,R)-
gfus)(nbd)¥BF4 kompleksa.*
¢ Rh((R,R)-4Mebi-
4Mebigfus)(nbd)¥BF4*
119
DRUGIMI PARTNERJI
- Krka, tovarna zdravil, d.d., Novo mesto: Razvoj neodvisnih postopkov do farmacevtskih
intermediatov
- Lek d.d., Ljubljana: Sinteza fluoriranih betalaktamov
- PhosPhoenix SARL, Pariz, Francija: Razvoj
novih industrijskih procesov na osnovi homogene katalize
- COST-D40 Inovativni katalizatorji: Novi procesi in stereoselektivnosti
- HPLC in GC sistemi opremljeni s kiralnimi
kolonami
- Polarimeter
- Ultra kriomat (-100 do +100 °C)
- Sistem za hidrogeniranje (do 100 atm H2)
- Vabljeno predavanje: dr. Roland Wohlgemuth, Sigma-Aldrich Co., Buchs, [vica
tutes an important achievement in rhodium
chemistry and justifies the synthesis and study
of large series of a given phosphine.
OTHER PARTNERS
- Krka Pharmaceuticals, d.d., Novo mesto, Slovenia: Development of new synthetic routes
to selected pharmaceutical intermediates
- Lek Pharmaceuticals, d.d., Ljubljana, Slovenia: Synthesis of potential pharmaceutical
compounds
- PhosPhoenix SARL, Paris, France: Development of industrial processes based on homogeneous catalysis
- COST-D40 Action Innovative Catalysts: New
Processes and Selectivities
MAJOR EQUIPMENT
- HPLC and GC systems equipped with chiral
columns
- Polarimeter
- Ultra kryomat (-100 to +100 °C)
- System for hydrogenation (up to 100 atm H2)
- Invited lecture: Dr. Roland Wohlgemuth, Sigma-Aldrich Co., Buchs, Switzerland
120
Laboratorij za anorgansko kemijo in tehnologijo
Laboratory for Inorganic Chemistry and Technology
L09
Laboratorij za anorgansko kemijo
in tehnologijo
Laboratory for Inorganic Chemistry
and Technology
dr. Roman Gabrov{ek
doc. dr. Nata{a Zabukovec Logar
doc. dr. Nata{a Novak Tu{ar
doc. dr. Gregor Mali
dr. Alenka Risti}
YOUNG RESEARCHERS
Sa{a Cecowski
Matja` Mazaj (do / till 22.10.2008)
Mojca Rangus
Tina Ukmar (od / till 1.10.2008)
VODJA / HEAD
prof. dr. Ven~eslav Kau~i~
Olga Gor{e
Mojca Opresnik
Darja Mau~ec (od / from 1. 8. 2008)
Edi Kranjc
121
PODRO^JA DEJAVNOSTI
Raziskave poroznih materialov:
- zeolitni materiali
RESEARCH ACTIVITIES
Investigations on porous materials:
- zeolitic materials
- mezoporozni materiali
- mesoporous materials
- cementi z mineralnimi dodatki
- blended cements research
Strukturna analiza materialov:
- rentgenska difrakcija
Materials structural analysis:
- X-ray diffraction
- nuklearna magnetno-resonan~na spektroskopija
- nuclear magnetic resonance spectroscopy
- X-ray absorption spectroscopy
- rentgenska absorpcijska spektroskopija
BIBLIOGRAFIJA
1 strokovni ~lanek
konferencah (vabljeno predavanje)
konferencah
2 elaborata, pred{tudiji, {tudiji
3 diplome
122
BIBLIOGRAPHY
1 Review Article
1 Master’s Thesis
1
2
5
magisterij
doktorata
uredni{tev revij
- S prehodnimi kovinami modificirani zeolitni
del~ki nanometrskih velikosti, hierarhi~no
porozne strukture in tanke plasti
Vgrajevanje prehodnih kovin v zeolitne delce
nanometrskih dimenzij poteka po {e ne v
celoti raziskanih mehanizmih v primerjavi z
vgrajevanjem prehodnih kovin v zeolitne
kristale mikrometrskih velikosti. Raziskovali
smo mehanizma vgrajevanja titana in
mangana. Nanometrski zeolitni delci so
klju~ni za pripravo hierarhi~nih poroznih
struktur, kot tudi za pripravo tankih plasti.
Pripravili smo titanove hierarhi~ne porozne
strukture na osnovi silikatov in mezoporozne
tanke plasti na osnovi aluminofosfatov.
- NMR spektroskopija
Z jedrsko magnetno resonanco smo {tudirali
nastajanje zeolitnih nanodelcev. Priprava
zeolitnih nanodelcev je zanimiva zato, ker
imajo ti delci zaradi velikega deleà povr{ine
in kratkih kanalov druga~ne lastnosti od
mikrometrskih zeolitnih zrn. Razumevanje
nastajanja zeolitnih nanodelcev je
pomembno tudi za pripravo kompozitnih
mikro-mezoporoznih materialov.
Pri nastajanju zeolitov iz za~etnega gela ali
iz za~etne raztopine igra spektroskopija z
magnetno resonanco klju~no vlogo, saj z njo
lahko opazujemo lokalne spremembe od
vsega za~etka, torej {e preden pride do
ureditve dolgega dosega in mnogo prej, kot
bi lahko proces opazovali z uklonskimi
tehnikami. Jedrska magnetna resonanca nam
je pokazala, kako nastajajo enostavne verige
in kako se le-te povezujejo v silikatno ogrodje.
Skupaj z drugimi spektroskopskimi in
uklonskimi tehnikami je omogo~ila
ugotovitve, kdaj nastanejo delci, ki so
primerni za vgradnjo v kompozitne materiale.
Jedrsko magnetno resonanco smo uporabljali
2
5
Doctoral Dissertations
Journal Editorships
- Transition-metal
modified
zeolitic
nanoparticles, hierarchical porous structures
and thin films
The incorporation mechanism of transition
metals into small zeolitic particles has not yet
have been defined if compared to incorporation mechanism into crystalline zeolitic
particles. We studied the incorporation
mechanisem of titanium and manganese.
Zeolitic nanoparticles are essential for the
preparation of hierachical porous structures
and thin films. Titanium-modified hierachical
porous silicate structures and manganesemodified mesoporous aluminophosphate
thin films have been prepared.
- NMR spectroscopy
Nuclear magnetic resonance was used for
studying the formation of zeolitic
nanoparticles. Preparation of zeolitic
nanoparticles is interesting, because such
particles have larger fraction of surface and
shorter channels than micrometer zeolitic
grains, and therefore much different characteristics. Understanding of the formation of
zeolites is important also for the preparation
of composite micro-mesoporous materials.
NMR is a crucial technique for studying the
formation of zeolites from initial gels or from
clear solutions, because it allows the observation of the process from the very beginning and thus much earlier before long-range
order is formed and when diffraction techniques could be employed. In our case, NMR
showed how short linear- and cyclic
oligomers are formed and how they connect
into the silicate framework. Together with
other spectroscopic techniques and with diffraction it enabled the determination of when
the size and form of zeolitic nanoparticles
were most convenient for incorporation into
composite materials.
123
{e na mnogo drugih podro~jih, npr. pri {tudiju
nastajanja aluminofosfatnih tankih filmov, pri
dolo~anju strukture litijevih spojin, pri
dimerizaciji nitrozobenzenov in pri {tudiju
nastajanja kalcijevega aluminata
- Uporaba zeolitnih adsorbentov
odstranjevanje bakra iz odpadnih vod
za
We have employed NMR also in many other
studies, for example for studying the formation of aluminophosphate thin films, for
structural investigations of lithium compounds, and for studying cross-dimerization
of nitrosobenzenes and the formation of calcium aluminate.
Naravne in sinteti~ne zeolite uporabljajo pri
odstranjevanju amoniaka in nekaterih te`kih
kovin iz odpadnih in pitnih vod. V sodelovanju
z Univerzo v Zagrebu in Univerzo v Novi Gorici
smo dolo~ili adsorpcijske karakteristike
zeolitov iz Vranjske Banje (Srbija) in
sinteti~nega zeolita A (Silkem, Kidri~evo) za
odstanjevanja bakra iz odpadnih vod.
Karakteristike zeolitov smo {tudirali s pomo~jo
metode rentgenske difrakcije na pra{kastih
vzorcih ter komplementarnih analitskih
metod kot sta rentgenska absorpcijska
spektroskopija in elektronska mikroskopija.
- Application of zeolite adsorbents for copper
removal from wastewaters
SLIKA 1:
Obisk sodelavcev Laboratorija za anorgansko kemijo
FIGURE 1:
Staff members of Laboratory for inorganic chemistry
in tehnologijo v tovarni zeolitnih materialov Silkem,
Kidri~evo.
and technology visited the factory of zeolitic materials Silkem, Kidri~evo, Slovenia.
124
Natural and synthetic zeolites have been used
for the removal of ammonia and different
heavy metals from drinking water and
wastewaters. With the University of Zagreb
and University of Nova Gorica we determined
the adsorption characteristics of zeolites from
Vranjska Banja (Srbija) and synthetic zeolite
A (Silkem, Kidri~evo) for the copper removal
from wastewaters. Characteristics of zeolites
were studied by using X-ray powder diffraction methods and also by complementary
- Priprava okolju prijaznih cementnih past in
betonov: [tudij hidratacije cementa z
mineralnimi dodatki
Eksperimentalno delo povezano z raziskavami
poteka hidratacije cementa z dodatki
apnenca ter elektrofiltrskega pepela smo
zaklju~ili. Nastale hidratizirane faze ter
predvsem njihove vsebnosti v ternarnih
sistemih so se razlikovale v odvisnosti od
trajanja hidratacije. Pri dalj{ih ~asih hidratacije
smo pri dolo~enih sestavah izhodnih me{anic
opazili tudi odvisnost od temperature
hidratacije. Produkte 90-dnevnih hidratacij
smo namakali 4 mesece v 2 % raztopini
MgSO 4 z namenom ugotoviti odpornost
razli~nih hidratiziranih sistemov proti sulfatni
koroziji. Ugotovitve o vplivu sulfatne korozije
na specifi~ne hidratizirane sisteme so kon~ni
cilj raziskovalnega projekta.
DRUGIMI PARTNERJI
- Silkem Kidri~evo: raziskave sinteti~nih zeolitov
in njihove aplikacije;
- Salonit Anhovo d.d., Deskle: raziskave in
razvoj okolju prijaznih cementov z
mineralnimi dodatki;
- Krka d.d., Novo mesto: strukturne dolo~itve
in analize povr{in farmacevtskih produktov.
- Projekt {estega okvirnega programa Evropske
unije (2004-2009), INSIDE-PORES Network of
Excellence - Nosilec: prof. dr. Ven~eslav Kau~i~
methods such us X-ray absorption
spectroscopy and electron microscopy
- Preparation of environmental friendly cement: study of hydration reaction of cement
with mineral additives
The experimental work related to the investigations of the hydration course of cement
with the additions of limestone and fly ash
has been completed. Hydrated phases
formed and, especially, their contents showed
the dependency on the hydration time. Certain combinations of starting mixtures additionally indicated a distinct relation to the
hydration temperature, particularly after
longer hydration times. Products of 90-day
hydration were soaked in 2 % MgSO4 solution for 4 months in order to evaluate their
resistance to sulfate corrosion. The assessment of sulfate corrosion on specific hydrated
systems represents the final goal of the research project.
OTHER PARTNERS
- Silkem Kidri~evo, Slovenia: investigations of
syntetic zeolites and their applications;
- Salonit Anhovo d.d., Deskle, Slovenia: investigations and development of environmentfriendly blended cements;
- Krka d.d., Novo mesto, Slovenia: structural
determinations and texture analyses of pharmaceutical products.
- EUREKA projekt E!4208 (2008-2011)
PUREWATER – Nosilec: prof. dr. Ven~eslav
Kau~i~
- INSIDE-PORES Network of Excellence (20042009), NoE 6th Framework Project EU - Principal investigator: Prof. Dr. Ven~eslav Kau~i~
- COST D 36 Molecular Structure-Performance
Relationships at the Surface of Functional
Materials - Nosilec: prof. dr. Ven~eslav Kau~i~
- EUREKA project E!4208 (2008-2011)
PUREWATER – Principal investigator: Prof. Dr.
Ven~eslav Kau~i~
- Slovensko-argentinski bilateralni projekt
(2006-2008) Modified Mesoporous Oxides –
Nosilec: prof.dr. Ven~eslav Kau~i~
- COST D 36 Molecular Structure-Performance
Relationships at the Surface of Functional
Materials - Principal investigator: Prof. Dr.
Ven~eslav Kau~i~
- Slovensko-norve{ki bilateralni projekt (2007-
125
2009) Smart Porous Composite Materials –
Nosilec: prof. dr. Ven~eslav Kau~i~
- PROTEUS (2007-2008) Hierarchical
Nanoporous Catalysts: Synthesis, Characterization and Catalytic Performances – Nosilec:
doc. dr. Nata{a Novak Tu{ar
- Eksperimentalni projekt na sinhrotronu
ELETTRA (2007591) XAS studies of Ti, V, Mn
and Fe local environment of hierarchical porous catalysts – Nosilec: doc. dr. Nata{a Novak
Tu{ar
- Slovensko-madàrski bilateralni projekt
(2006-2009) Characterization of Iron Modified Nanoporous Silicates - Nosilec: dr. Alenka
Risti}
- Rentgenski pra{kovni difraktometer
PANalytical X’Pert PRO (sevanje CuKa z l =
1.5406 Å) za snemanje pra{kovnih posnetkov
v {tirih razli~nih konfiguracijah: (1) a1 z
Johannsonovim monokromatorjem za vzorce
z ravno povr{ino, (2) kapilarna transmisija z
hibridnim monokromatorjem, (3) standardna
Bragg-Brentano, (4) paralelni àrek
- Rentgenski pra{kovni difraktometer
PANalytical X’Pert PRO (sevanje CuKa z l =
1.5406 Å) za snemanje pra{kovnih posnetkov
v treh razli~nih konfiguracijah: (1) pri visokih
temperaturah do 1200 oC, (2) tanki filmi, (3)
transmisija
- Rentgenski pra{kovni difraktometer Siemens
D 5000 (sevanje CuKa z l = 1.5406 Å) za
snemanje pra{kovnih posnetkov visoke
lo~ljivosti, pri visokih temperaturah od 50 do
1450º C, pri nizkih temperaturah od vreli{~a
du{ika do 400º C, v vakuumu ali drugih
atmosferah ter snemanje tankih filmov
- Tristar 3000, avtomatski plinski analizator
(Micromeritics Instrument Co.) za merjenje
specifi~ne povr{ine (BET), adsorpcijskih
izoterm, volumna in porazdelitve por
pra{kastih vzorcev
- SDT 2960 sistem za termi~no analizo, DSCTGA (TA Instruments Inc.) omogo~a
126
- Slovenia-Argentina bilateral project (20062008) Modified Mesoporous Oxides – Principal investigator: Prof. Dr. Ven~eslav Kau~i~
- Slovenia-Norway bilateral project (20072009) Smart Porous Composite Materials –
Principal investigator: Prof. Dr. Ven~eslav
Kau~i~
- PROTEUS (2007-2008) Hierarchical
Nanoporous Catalysts: Synthesis, Characterization and Catalytic Performances – Principal investigator: Assist. Prof. Dr. Nata{a Novak
Tu{ar
- Synchrotron ELETTRA experimental project
(2007591) XAS studies of Ti, V, Mn and Fe
local environment of hierarchical porous catalysts – Principal investigator: Assist. Prof. Dr.
Nata{a Novak Tu{ar
- Slovenia-Hungary bilateral project (20062009) Characterization of Iron Modified
Nanoporous Silicates – Principal investigator:
Dr. Alenka Risti}
MAJOR EQUIPMENT
- X-ray powder diffractometer PANalytical
X’Pert PRO (radiation wavelength CuKa =
1.5406 Å) for measurements of powder patterns on four different configuration: (1) alpha1 with Johansson monochromator, for
flat samples, (2) capillary transmission with
Hybrid monochromator, (3) standard BraggBrentano, and (4) parallel beam
- X-ray powder diffractometer PANalytical
X’Pert PRO (radiation wavelength CuKa =
1.5406 Å) for measurements of powder patterns on three different configuration: (1) at
high temperature up to 1200 oC, (2) thin film,
(3) transmission
- X-ray powder diffractometer Siemens D 5000
(radiation wavelength CuKa = 1.5406 Å) for
measurements of powder patterns with high
resolution at high temperatures from 50 to
1450 oC, at low temperatures from boiling
point of liquid nitrogen to 400 oC in vacuum
or other atmospheres and for measurements
of thin films
simultane meritve energijskega pretoka in
masnih sprememb v materialih od sobne temperature do 1500º C
- Microtrac S3500, aparatura za dolo~evanje
velikosti in porazdelitev delcev v mokrem ali
suhem stanju. Obmo~je meritev za mokre
vzorce je od 0,02 µm do 1400 µm in za suhe
vzorce od 0,25 µm do 1400 µm
- AutoPycnometer (Micromeritics Instrument
Co.) aparatura za avtomatsko dolo~evanje
gostote materialov s helijem
- Centrifuga Hettich, Rotanta 460 R hlajena
(temperaturno obmo~je od –20º C do + 40º
C). Hitrost vrtenja od 500 do 9500 obr/min
- Ultra Turrax disperzer T25 (IKA)
- Mikrovalovna pe~ MLS-1200 MEGA (Milestone)
- Mikrovalovna pe~ ETHOS (Milestone)
- Mlin za me{anje in homogeniziranje prahov,
suspenzij in past Retsch RM 100
- Kalcinacijske pe~i: dve cevni (segrevanje do
1000 ºC, hitrost segrevanja 1,5-2 º C /min)
in ena komorna (segrevanje do 1200 ºC,
hitrost segrevanja 3 º C /min)
Izobraèvanje:
- Darja Mau~ec; diplomsko delo z naslovom
»Vgradnja mangana v zeolit silikalit-1«,
komentor: prof. dr. Ven~eslav Kau~i~
- Emanuela @unkovi~; diplomsko delo z
naslovom »Sinteza in strukturna karakterizacija poroznih manganovih karboksilatov«, komentor: prof. dr. Ven~eslav
Kau~i~
- Tristar 3000, an automated gas adsorption
analyser (Micromeritics Instrument Co.) for
specific surface area (BET) measurements,
adsorption isotherms, volume pore and pore
size distribution of powder samples
(mesopores and macropores: > 2 nm)
- SDT 2960 system for thermal analysis, DSCTGA (TA Instruments Inc.) for simultaneous
measurements of enthalpy and mass changes
in materials (from 30 to 1500oC)
- Microtrac S3500 Particle Size Analyzer, wet
or dry samples. The range of measurement
for wet samples is from 0.02 µm to 1400
µm (2800 µm) and for dry samples from 0.25
µm to 1400 µm
- AutoPycnometer (Micromeritics Instrument
Co.) for automatic determination of true density of materials with helium
- High-speed centrifuge, Hettich, Rotanta 460
R, refrigerated (temperature control –20º C
to +40º C). Speed control within a range of
500 - 9.500 min-1
- Ultra Turrax disperser T25 (IKA)
- Microwave oven MLS-1200 MEGA (Milestone)
- Microwave oven ETHOS (Milestone)
- Grinder for mixing and homogenizing powders, suspensions and pastes, Retsch RM 100
- Furnaces: two tubes (heating up do 1000 ºC,
heating rate 1.5-2 ºC/min) and one chamber
(heating up to 1200 ºC, heating rate 3 ºC/
min)
- Matej êrnilec; diplomsko delo z naslovom
«Priprava in strukturna karakterizacija
poroznih cinkovih karboksilatov«, komentor:
prof. dr. Ven~eslav Kau~i~
Education:
- Darja Mau~ec; ended diploma thesis entitled
»Incorporation of manganese into zeolite
silicalite-1«, co-supervisor: Prof. dr. Ven~eslav
Kau~i~
- Matja` Mazaj; doktorska disertacija z
naslovom »Sinteza in strukturne zna~ilnosti
nanoporoznih silikatov in aluminofosfatov«,
komentor: doc. dr. Nata{a Zabukovec Logar
- Emanuela @unkovi~; ended diploma thesis
entitled »Synthesis and structure characterization of porous manganese carboxylates«,
co-supervisor: Prof. Dr. Ven~eslav Kau~i~
127
Poletne {ole:
- Mojca Rangus se je udeleìla poletne {ole
»Nuclear Resonance in Condensed Matter
(NMRCM) – Summer School (4.-5.7.2008),
Sankt Petersburg, Rusija
- Sa{a Cecowski se je udeleìla poletne {ole
»Sol-gel in small dimensions: nanoparticles
and thin films«, ISGS – Summer school (24.27.8.2008), Alghero (Sardinija), Italija
Obiski tujih raziskovalcev:
- dr. Franck Launay, Université Pierre et Marie
Curie, Pariz, Francija
- prof. dr. Antoine Gedeon, Université Pierre
et Marie Curie, Pariz, Francija
- dr. John R. Helliwell, School of Chemistry,
University of Manchester, Manchester, Velika
Britanija
- prof. dr. Michael Stocker, SINTEF, Oslo,
Norve{ka
- dr. Karoly Lazar, Institute of Isotopes CRC HAS,
Budimpe{ta, Madàrska
- Alehandra Calvo, Unidad de Actividad
Quimica, Buenos Aires, Argentina
- prof. Nevenka Raji}, Tehnolo{ko-metalur{ka
fakulteta, Univerza v Beogradu, Srbija
- prof. Djordje Stojakovi}, Tehnolo{kometalur{ka fakulteta, Univerza v Beogradu,
Srbija
- Sanja Jevti}, Tehnolo{ko-metalur{ka fakulteta,
Univerza v Beogradu, Srbija
- prof. dr. [tefica Cerjan Stefanovi}, Fakulteta
za kemijsko inènirstvo in tehnologijo,
Univerza v Zagrebu, Zagreb, Hrva{ka
- dr. Karmen Margeta, Fakulteta za kemijsko
inènirstvo in tehnologijo, Univerza v
Zagrebu, Zagreb, Hrva{ka
- dr. Mario [iljeg, Fakulteta za kemijsko
inènirstvo in tehnologijo, Univerza v
Zagrebu, Zagreb, Hrva{ka
- dr. Branka Vojnovi}, Fakulteta za tekstilno
tehnologijo, Univerza v Zagrebu, Zagreb,
Hrva{ka
128
- Matej êrnilec; ended diploma thesis entitled «Synthesis and structure characterization
of porous zinc carboxylates«, co-supervisor:
Prof. Dr. Ven~eslav Kau~i~
- Matja` Mazaj; ended doctoral dissertation
entitled »Synthesis and structure properties
of
nanoporous
silicates
and
aluminophosphates«, co-supervisor: Assist.
Prof. Dr. Nata{a Zabukovec Logar
Summer schools:
- Mojca Rangus, attended the summer school
»Nuclear Resonance in Condensed Matter
(NMRCM) – Summer School (4-5 July 2008),
Sankt Petersburg, Russia
- Sa{a Cecowski, attended the summer school
» Sol-gel in small dimensions: nanoparticles
and thin films«, ISGS – Summer school (2427 August 2008), Alghero (Sardinia), Italy
Visits of foreign researchers:
- Dr. Franck Launay, Université Pierre et Marie
Curie, Paris, France
- Prof. Dr. Antoine Gédéon, Université Pierre
et Marie Curie, Paris, France
- Prof. Dr. John R. Helliwell, School of Chemistry, University of Manchester, Manchester,
Great Britain
- Prof. Dr. Michael Stocker, SINTEF, Oslo, Norway
- Dr. Karoly Lazar, Institute of Isotopes CRC
HAS, Budapest, Hungary
- Alehandra Calvo, Unidad de Actividad
Quimica, Buenos Aires, Argentina
- Prof. Dr. Nevenka Raji}, TMF, University of
Belgrade, Belgrade, Serbia
- Prof. Dr. Djordje Stojakovi}, TMF, University
of Belgrade, Belgrade, Serbia
- Sanja Jevti}, TMF, University of Belgrade, Belgrade, Serbia
- Prof. Dr. [tefica Cerjan Stefanovi}, FKIT, University of Zagreb, Zagreb, Croatia
- Dr. Karmen Margeta, FKIT, University of
Zagreb, Zagreb, Croatia
Gostovanja:
- prof. dr. Ven~eslav Kau~i~ je gostoval na
in{titutu SINTEF, Oslo, Norve{ka (1 teden)
- prof. dr. Ven~eslav Kau~i~ je gostoval na
Univerzi v Manchestru, Manchester, Velika
Britanija (1 teden)
- dr. Matja` Mazaj je gostoval na Unidad de
Actividad Quimica, Buenos Aires, Argentina
(1 mesec)
- doc. dr. Nata{a Novak Tu{ar je gostovala na
Univerzi Pierre in Marie Curie, Pariz, Francija
(1 teden)
- Dr. Mario [iljeg, FKIT, University of Zagreb,
Zagreb, Croatia
- Dr. Branka Vojnovi}, Faculty of Texstile Technology, University of Zagreb, Zagreb, Croatia
Visits of foreign institutes:
- Prof. Dr. Ven~eslav Kau~i~, SINTEF, Oslo, Norway (1 week)
- Prof. Dr. Ven~eslav Kau~i~, School of Chemistry, University of Manchester, Manchester,
Great Britain
- Dr. Matja` Mazaj, Unidad de Actividad
Quimica, Buenos Aires, Argentina (1 month)
- dr. Matja` Mazaj je gostoval na Univerzi Pierre
in Marie Curie, Pariz, Francija (1 teden)
- Assist. Prof. Dr. Nata{a Novak Tu{ar, Université
Pierre et Marie Curie, Paris, France (1 week)
- doc. dr. Nata{a Novak Tu{ar je gostovala na
Institute of Isotopes CRC HAS, Budimpe{ta,
Madàrska (1 teden)
- Dr. Matja` Mazaj, Université Pierre et Marie
Curie, Paris, France (1 week)
- Mojca Rangus je gostovala na Institute of Isotopes CRC HAS, Budimpe{ta, Madàrska (1
teden)
- Assist. Prof. Dr. Nata{a Novak Tu{ar, Institute
of Isotopes CRC HAS, Budapest, Hungary (1
week)
- Mojca Rangus, Institute of Isotopes CRC HAS,
Budapest, Hungary (1 week)
129
Letno poro~ilo 2008
Annual report 2008
130
Laboratorij za elektrokemijo materialov
Laboratory for Materials Electrochemistry
L10
dr. Marjan Bele
dr. Robert Dominko
izred. prof. dr. Miran Gaber{~ek (do / till 18.4.08)
dr. Abdelrahim Ibrahim Hassanien (polovi~ni
delovni ~as, od / part time from 1.11.08)
VODJA / HEAD
izred. prof. dr. Janko Jamnik (do / till 18.4.08)
izred. prof. dr. Miran Gaber{~ek (od / from
19.4.08)
YOUNG RESEARCHERS
Bo{tjan Erjavec
Bo{tjan Genorio
Alja` Godec
Mirjana Küzma
Uro{ Maver (od / from 1.10.08)
Joè Mo{kon
Klemen Pirnat (od / from 1.10.08)
Andrej @nidar{i~ (od / from 1.10.08)
Milena Zorko
Gregor Kapun
131
PODRO^JA DEJAVNOSTI
Materiali za energijske tehnologije in zdravje
Podrobnej{a opredelitev:
- {tudij kinetike transporta in sprememb kemijske sestave v trdnih me{anih prevodnikih;
RESEARCH ACTIVITIES
Materials for energy technologies and health
Detailed classification:
- Study of transport kinetics and chemical composition changes in solid mixed conductors
- vpliv nanostrukturiranosti trdnih kompozitov
na izbrane lastnosti, kot so elektrokemijsko
shranjevanje energije, raztapljanje, elektrokataliza ipd. (uporaba v energetiki, informatiki,
farmaciji);
- Influence of nanostructuring of solid composites on selected properties, such as electrochemical energy storage, dissolution, electrocatalysis etc. (application in energetics,
informatics and pharmacy)
- priprava nanometrskih filmov na zunanjih in/
ali notranjih povr{inah funkcionalnih materialov;
- Preparation and characterization of nanometre-sized coatings on functional particles
- piprava in karakterizacija novih nanostrukturiranih materialov za litijeve baterije;
- Preparation of nanometre-sized film on external or internal surfaces of functional materials
- vgradnja funkcionalnih materialov v ustrezne
matrike;
- Incorporation of functional materials into
matrices
- vpliv povr{inskega naboja na stabilnost disperzij ter suspenzij; polielektrolitske titracije.
BIBLIOGRAFIJA
1 poljudni ~lanek
3 intervjuji
132
BIBLIOGRAPHY
1 Popular Article
3 Interviews
1
objavljeni znanstveni prispevek na
9 prispevkov na konferencah brez natisa
2 vabljeni predavanji na konferencah brez
natisa
3 diplome
1 uredni{tvo revije
- Vpliv medfaznih kontaktov na transport v litijevih elektrodah
- The influence of inter-phase contacts on the
transport in lithium electrodes
ê èlimo baterije uporabiti za pogon avtomobilov, je med drugim potrebno pove~ati
njihovo specifi~no mo~ (mo~, izraèno na
enoto mase ali volumna). Iz literature je è
pribli`no petnajst let znano, da mo~ baterijskih elektrod v veliki meri omejuje proces, ki
ga v impedan~ni spektroskopiji zaznamo kot
visokofrekven~ni polkrog. Doslej je med avtorji prevladoval prakti~no 100 % konsenz,
If advanced lithium batteries are to be used
for propulsion of electric cars, it is of primary
importance to increase their power density
(i.e., the power per mass or volume unit). It
has been known for more than 15 years that
poor power density is associated with the
appearance of a high frequency arc in impedance spectra of lithium electrodes. Until
now, there has been almost 100% consensus that this arc represents incorporation of
lithium from the electrolyte into the active
particles. This assumption has been the main
SLIKA 1:
Shematska razlaga razli~nih prispevkov k celo-
FIGURE 1:
Schematical presentation of various contributions to
kupnemu transportu snovi in naboja v tipi~ni baterijski
elektrodi.
the overall mass and charge transport in a typical Li
ion electrode.
133
da visokofrekven~ni polkrog predstavlja reakcijo vgradnje litija iz elektrolita v aktivne baterijske delce. Ta predpostavka je bila tudi vodilo pri ve~ini dosedanjih raziskav, v katerih so
avtorji posku{ali pove~ati mo~ baterijskih elektrod. V laboratoriju smo èleli preveriti to
predpostavko s {tirimi neodvisnimi serijami
poskusov, pri katerih smo na~rtno spreminjali
izbrane zunanje parametre, kot so tlak, koncentracija elektrolita, vrsta elektrodnega substrata ter prenapetost na elektrodi. Presenetljivo niti eden od poskusov ni potrdil
dolgoletne hipoteze o izvoru visokofrekven~nega polkroga. Vsi poskusi so pravzaprav
nakazovali, da je izvor polkroga slab elektri~ni
kontakt med aluminijskim substratom in aktivnim baterijskim materialom, ki je v postopku izdelave elektrode nane{en na ta substrat.
V nadaljevanju raziskav smo torej izbolj{ali
ta kontakt, in sicer z uporabo ustreznih
prevodnih past. Po pri~akovanju se je
visokofrekven~ni polkrog izrazito zmanj{al,
mo~ elektrode pa ustrezno pove~ala. Na os-
driving force for many investigations dealing
with the problem of battery power. We have
carried out 4 series of different types of experiments in which we controlled the pressure, the electrolyte concentration, the type
of metallic collector and the electrode overvoltage to check the validity of this crucial
assumption. Surprisingly, none of the experimental results was consistent with the established hypothesis of the origin of highfrequency arc. In fact, all experiments pointed consistently to another origin: a poor electrical contact between the cathode compositze and the underlying metallic substrate.
In continuation we succeeded to decrease
this arc to vanishigly small values by decorating the metal-cathode interface with a
conductive metallic paste. As expected, the
electrode power was increased significantly.
Finally, we reformulated and generalized the
equivalent circuit describing typical battery
electrodes by taking into account all electrical contacts between various phases consti-
SLIKA 2:
Mikroskopska slika titanatnih (Li2FeTiO4) nanodelcev,
FIGURE 2:
Microscope photograph of titanate (Li 2FeTiO 4)
obdanih z ogljikovo matrico. Kombinacija nanodelcev
in ogljika omogo~a, da ta material lahko uporabimo
kot katodo v litijevi bateriji.
nanoparticles embedded into a carbon matrix. Such
a combination of nanoparticles and carbon allows
good electrochemical exploitation of titanates.
134
novi poskusov smo revidirali obstoje~e nadomestne sheme za baterijske elektrode. Rezultate te raziskave smo, med drugim, predstavili na najve~ji baterijski konferenci IMLB
(v letu 2008 je bila na Kitajskem), kjer smo
med 600 prispevki prejeli nagrado »MOST
EXCELLENT PAPER«.
tuting the electrode. The presentation of
these results at the largest battery conference
(IMLB 2008, China) was awarded the »MOST
EXCELLENT PAPER«.
- Titanates as new cathodes for lithium batteries
Po silikatnih baterijskih materialih, ki smo jih
v laboratoriju kot prvi na svetu odkrili pred
nekaj leti, smo v letu 2008 kot prvi pokazali
tudi baterijsko aktivnost litijevih titanatov s
splo{no formulo Li2MTiO4 (kjer je M prehod-
After our recent discovery of silicates as interesting battery materials, we are now also
introducing titanates as active compounds
for potential use in lithum cathodes. Similarly as with silicates, the general formula
Li2MTiO4 (M being a transition metal, such
as Fe, Mn, Ni etc.) holds promise as a high
SLIKA 3:
Shematski prikaz funkcionalizacije TiO2 nanodelcev,
ki omogo~a njihovo uporabo v oljih za son~enje.
FIGURE 3:
Schematical presentation of functionalization of TiO2
nanoparticles for use in oily sunscreens. In 2008 the
Postopek je bil v letu 2008 patentiran.
procedure was patented.
- Titanati kot nove katode za litijeve baterije
135
na kovina, denimo Fe, Mn ipd.). Podobno kot
pri silikatih, je potencialna prednost teh materialov dejstvo, da vsebujejo dva mola litijevih atomov v enem molu materiala (ostali
znani materiali ponujajo le en mol litija na
mol materiala). Pokazali smo, da titanatni
materiali kaèjo znatno aktivnost samo v obliki zelo majhnih delcev, v na{em primeru je
bila njihova velikost med 10 in 20 nm. Poleg
tega je pri sintezi potrebno prepre~iti njihovo
aglomeracijo ali celo agregacijo. V konkretnem primeru smo to zagotovili z dodatkom
ogljikovih prekurzorjev, ki so sluìli kot neke
vrste distan~nik med posameznimi nanodelci. Odkritje smo patentno za{~itili, patent pa
vloìli v evropski portfelj baterijskih patentov
(ALISTORE-ERI), do katerega imajo dostop vsi
najpomembnej{i evropski proizvajalci baterijskih komponent, pa tudi nekateri avtomobilski proizvajalci.
- Kako prepre~iti {kodljive u~inke nanodelcev
titanovega oksida v oljih za son~enje?
Klju~na sestavina mnogih preparatov, ki dajejo UV za{~ito, so nanodelci titanovega oksida. êprav ta material izjemno u~inkovito
filtrira UV svetlobo, pa ima tudi nekatere
o~itne slabosti: katalizira nastanek nekaterih
nezaèlenih reaktivnih delcev, v oljnih suspenzijah je nestabilen ipd. Navedene slabosti smo
odpravili tako, da smo okoli titanovih nanodelcev najprej nanesli sloj silicijevega dioksida, na ta sloj pa {e lavrinsko kislino. Pomembno je, da smo oba funkcionalna sloja uspeli
vezati na ustrezni substrat s kovalentnimi
vezmi. S tem smo dobili inerten in hkrati
izjemno stabilen kompozit. Prevleka iz silicijevega dioksida namre~ prepre~uje spro{~anje
reaktivnih radikalov v okolico, lavrinska kislina pa prepre~uje aglomeracijo posameznih
nanodelcev v oljnih suspenzijah. Prav zaradi
te stabilnosti smo enake filtrirne u~inke
dosegli è z desetkrat manj{o koncentracijo
delcev kot jih dodajajo v obstoje~e son~ne
preparate. Postopek in material smo ustrezno
patentno za{~itili.
136
capacity material. Namely, at least theoretically, the titanates allow exploitation of 2 mol
of Li per 1 mol of compound. We have shown
that the key strategy leading to a successful
electrochemical utilization of these materials involves not only particle size minimization to values as low as 10 nm – 20 nm but
also their imbedment into a carbon matrix.
The latter serves as a spacer that effectively
prevents particle agglomeration and, simultaneosly, provides electrons to the active ceramics. The discovery was patent protected.
Afterwards, the patent was accepted into the
portfolio managed by the ALISTORE-ERI European Battery Institute which is supported
by the most important European producers
of battery components as well as several car
producers.
- How to prevent harmful effects of titania
nanoparticles in sunscreen oils?
A crucial component of many sunscreen
products are titania nanoparticles. Although
titania filters UV very effectively, it also exhibits several serious drawbacks: it catalyzes
the formation of highly reactive radicals, in
oily suspensions the titania nanoparticles are
very unstable etc. We have removed these
defficiences by first coating titania nanoparticles with a thin silica film and then attaching lauric acid onto the silica coating. It is
essential that both functional layers were attached to the underlying substtrate with covalent bonds. The silica coating prevents the
release of harmful radicals into surroundings
while the lauric acid serves as a steric stabilizer that prevents nanoparticle agglomeration in oily suspensions. For this reason, the
surface-decorated titania gives a sufficient
filtering efficiency already at concentrations
that are an order lower than used in conventional sunscreens. The material and its preparationprocedure were patent protected.
DRUGIMI PARTNERJI
- Iskra TELA d.d., PE Baterije Zmaj, [entvid pri
Sti~ni, optimizacija baterijskih elektrod
- Krka d. d., Novo Mesto, raziskave tabletiranja izbranih u~inkovin
- Lek d.d., Ljubljana, priprava kompozitov s
kontroliranim spro{~anjem u~inkovin
- Predilnica Litija, partner v Centru odli~nosti
Nanoznanosti in nanotehnologije, ESRR,
ukrep 1.1. in 1.4
- Atotech Podnart, d.d., partner v Centru
odli~nosti Nanoznanosti in nanotehnologije,
ESRR, ukrep 1.1. in 1.4
- ALISTORE, mreà odli~nosti v 6. okvirnem
programu EU
- Nanoscale Functionalities for Targeted Delivery of Biopharmaceutics (FP6-2004-NMP-NI4) - NANO(BIOPHARMACEUTICS, Integrirani
projekt (Ips) znotraj 6. evropskega okvirnega
programa
OTHER PARTNERS
- Iskra TELA d.d., PE Baterije Zmaj, [entvid pri
Sti~ni, Slovenia: optimisation of battery electrodes
- Krka d.d., Ljubljana, Slovenia: tableting of
selected drugs
- Lek d.d., Ljubljana, Slovenia: composites with
controlled release of drugs
- Predilnica Litija, Slovenia: partner in Nanosciences and Nanotechnologies Centre of
Excellence
- Atotech Podnart d.d., Slovenia: partner in
Nanosciences and Nanotechnologies Centre
of Excellence
- ALISTORE, 6th EU Framework Network of Excellence
- Nanoscale Functionalities for Targeted Delivery of Biopharmaceutics (FP6-2004-NMP-NI4) - NANO(BIOPHARMACEUTICS, Integrated
project in the 6th EU Framework.
- APOLLON B, Advanced PEM Fuel Cells«
(APOLLON-B), STREP EU project
- APOLLON B, Advanced PEM Fuel Cells«
(APOLLON-B),STREP EU project
- ERANET -A Swedish-Slovenian Nano-Battery
Network (akronim SVEN_SLO_BATT)
- ERANET -A Swedish-Slovenian Nano-Battery
Network (acronim SVEN_SLO_BATT)
- Slovensko ~e{ki projekt: Ionske teko~ine za
litijeve baterije (nosilec: Robert Dominko)
- Slovene-Czech project: Ionic liquids for Li ion
batteries (leader: Robert Dominko)
- Vrsti~ni elektronski mikroskop na poljsko
emisijo Karl Zeiss Supra 35 VP, opremljen z
analizatorjem EDS (Oxford INCA 400)
MAJOR EQUIPMENT
- Field-Emission Scanning Electron Microscope
(Karl Zeiss Supra 35 VP, equipped with EDS
(Oxford INCA 400)
- Mikroskop na atomsko silo (AFM) Agilent
5500
- Atomic force microscope (AFM) Agilent 5500
- Mikroskop na atomsko silo (AFM) Veeco Nanoscope V/Multimode
- Sistemi za elektrokemijske, impedan~ne,
mikroimpedan~ne in elektri~ne meritve
(EG&G Model 283, Solartron SI 1260, ECI
1286, FRA 1250, HP 4284 LCR meter, Karl
Süss, Keithley 237)
- Atomic force microscope (AFM) Veeco Nanoscope V/Multimode
- Systems for electrochemical, impedance, microimpedance and electrical measurements
(EG&G Model 283, Solartron SI 1260, ECI
1286, FRA 1250, HP 4284 LCR meter, Karl
Süss, Keithley 237)
137
- 2 Komori Braun za delo v atmosferi z vlago
pod 1ppm in vsebnostjo kisika pod 5ppm
- Polielektrolitski titrator (Metrohm, 736 GP
Titrino) z detektorjem strujnega toka
(Muetek, PCD 03)
IZOBRA@EVANJE IN OBISKI
Mentorstva/komentorstva pri diplomskih delih
- @NIDAR[I^, Andrej. Sinteza cink fosfatnih
nanodelcev za vezavo in kontrolirano
spro{~anje modelnih proteinov : diplomsko
delo. Ljubljana: ¢A. @nidar{i~¥, 2008. 49 f.,
ilustr. ¢COBISS.SI-ID 29798917¥ Mentor: doc.
dr. Miran Gaber{~ek
- KROFLI^, Ana. Preu~evanje fizikalno-kemijskih lastnosti polimorfnih oblik klaritromicina = Physicochemical properties of polymorphic forms of clarithromycin : diplomska
naloga, (Diplomske naloge). Ljubljana: ¢A.
Krofli~¥, 2008. 56 f., ilustr. ¢COBISS.SI-ID
2296177¥. Mentor: dr. Marjan Bele
- UKMAR, Tina. Preu~evanje s sol-gel postopkom izdelanih kserogelov in oblog z vgrajenimi nanodelci TiO2 = Exploring the properties of sol-gel derivied coatings and xerogels
with incorporated TiO 2 nanoparticles :
diplomska naloga, (Diplomske naloge).
Ljubljana: ¢T. Ukmar¥, 2008. 42 f., ilustr.
¢COBISS.SI-ID 2378097¥, Mentor: dr. Marjan
Bele
Tuji raziskovalci na KI
- Audrey Chapelle je med marcem in septembrom 2008 v okviru Evropskega magistrskega {tudija pod vodstvom dr. R. Dominka v
Laboratoriju L10 pripravila magistrsko delo,
ki ga je uspe{no zagovarjala v Franciji.
- Martina Nadherna (Institute of Inorganic
Chemistry of the ASCR, Praga, ê{ka) je v
laboratoriju 45 dni opravljala raziskave v
okviru slovensko-~e{kega bilateralnega projekta.
- 2 Braun dry boxes (humidity < 1ppm, oxygen < 5ppm)
Mentorships:
- @NIDAR[I^, Andrej; Sinteza cink fosfatnih
nanodelcev za vezavo in kontrolirano
spro{~anje modelnih proteinov (Diploma Thesis) ¢A. @nidar{i~¥, 2008. 49 f., ilustr.
¢COBISS.SI-ID 29798917¥ Mentor: Assist.
Prof. Dr. Miran Gaber{~ek
- KROFLI^, Ana; Physicochemical properties of
polymorphic forms of clarithromycin (Diploma Thesis) ¢A. Krofli~¥, 2008. 56 f., ilustr.
¢COBISS.SI-ID 2296177¥, Mentor: Dr. Marjan
Bele
- UKMAR, Tina; Exploring the properties of solgel derivied coatings and xerogels with incorporated TiO2 nanoparticles (Diploma Thesis) ¢T. Ukmar¥, 2008. 42 f., ilustr. ¢COBISS.SIID 2378097¥, Mentor: Dr. Marjan Bele
Visiting researchers:
- From March to September 2008 Audrey
Chapelle successfully prepared a Master Thesis within the framework of European Masters. The experimental work was carried out
in our Laboratory under the mentorship of
Dr. Robert Dominko, while the Thesis was
defended in France.
- Martina Nadherna (Institute of Inorganic
Chemistry of the ASCR, Prague) joined the
laboratory for 45 day in the framework of a
Czech-Slovene bilateral project.
Visits of foreign Institutions
- Robert Dominko: Université de Picardie, Amiens, France and Max-Planck Institute, Stuttgart, Germany
- Bo{tjan Erjavec: Université de Picardie, Amiens, France and Max-Planck Institute, Stuttgart, Germany
Obiski tujih institucij
- Bo{tjan Genorio: Argonne National Laboratory, Chicago, USA
- Robert Dominko: Université de Picardie, Amiens, Francija in Max-Planck Institute, Stuttgart, Nem~ija
- Janko Jamnik: Max-Planck Institute, Stuttgart,
Germany
138
- Bo{tjan Erjavec: Université de Picardie, Amiens, Fracija in Max-Planck Institute, Stuttgart,
Nem~ija
- Bo{tjan Genorio: Argonne National Laboratory, Chicago, ZDA
- Janko Jamnik: Max-Planck Institute, Stuttgart,
Nem~ija
Nova raziskovalna oprema
V letu 2008 je laboratorij uspe{no dokon~al
nabavo in in{talacijo dveh mikroskopov na
atomsko silo (AFM/STM), in sicer Veeco
Nanoscope V/Multimode ter Agilent 5500.
Kombinirani AFM/STM mikroskop omogo~a
raziskovanje topografskih in razli~nih fizikalnokemijskih lastnosti povr{in z nanometrsko in
sub-nanometrsko lo~ljivostjo. Povr{ine lahko
raziskujemo v razli~nih okoljskih pogojih: v
zraku, kontrolirani atmosferi pa tudi v razli~nih
topilih in celo med potekom kontroliranih
elektrokemijskih procesov.
Elektrokemijski STM omogo~a predvsem
raziskovanje prevodnih povr{in z atomsko
resolucijo, kar lahko izkoristimo pri prou~evanju
procesov na povr{inah elektrod in pri karakterizaciji plasti, ki jih nana{amo elektrokemijsko.
Elektrokemijski AFM omogo~a tudi raziskave
neprevodnih kompozitov in nanometrskih
struktur na povr{inah elektrod. AFM s teko~insko celico omogo~a raziskovanje mejnih
povr{in med trdno snovjo in kontrolirano
teko~ino, ki je lahko ~isto topilo, raztopina, zmes
topil ali koloidna disperzija. Metoda je idealna
za prou~evanje depozicije, absorpcije in
raziskovanje nanometrskih struktur v adsorbiranih filmih.
S pomo~jo razli~nih tipal lahko prou~ujemo
magnetne in elektri~ne lastnosti povr{in.
Z mikroskopom na atomsko silo merimo tudi
sile velikosti piko-newtona. To omogo~a
neposredno merjenje adhezijskih lastnosti
povr{in, njihove mehanske lastnosti (npr.
elasti~ni modul ali visokoelasti~ne lastnosti),
omogo~a pa tudi merjenje sil v koloidnih
sistemih, s ~imer lahko ocenimo njihovo
stabilnost, oziroma tendenco po aglomeraciji.
New Research Infrastructure
In 2008 the laboratory installed two new atomic
force microscopes: Veeco Nanoscope V/
Multimode and Agilent 5500. Atomic force
microscope(AFM) in scanning tunneling microscope (STM) allow investigation of surfaces in
the range of atomic dimensions. Combined
AFM/STM (atomic force microscope and scanning tunneling microscope) can be used for
investigation of topography and various physical-chemical properties of surfaces at a
nanometre or even sub-nanometre resolution.
The surfaces can be investigated in different
environments: in air, under controlled atmosphere of selected composition but also in liquids and even during controlled electrochemical
processes.
Electrochemical STM can be used for research
of conductive surfaces with atomic resolution
and is thus useful for study of mechanisms occurring on electrodes or on electrochemically
deposited films. AFM with liquid cell allows investigation of solid/liquid interfaces whereby the
liquid phase can be a pure solvent, a solution,
a mixture of liquids or a colloidal dispersion.
The method is ideal for study of deposition,
absorption as well as nanometric structures in
adsorbed films.
Using various kinds of tips, one can investigate
magnetic and electric properties of surfaces.
AFM can also be used for measurement of
forces in the order of a pico-newton. This can
be exploited in studies of adhesion properties
of surfaces or their mechanical properties (elastic modulus, viscoelasticity etc.). One can also
measure forces in colloidal systems and determine their stability, that is, their tendency towards agglomeration.
139
Letno poro~ilo 2008
Annual report 2008
140
Laboratorij za biosintezo in biotransformacijo
Laboratory for Biosynthesis and Biotransformation
L11
Laboratorij za biosintezo in
biotransformacijo
Laboratory for Biosynthesis and
Biotransformation
dr. Nada Kra{evec
dr. Ana Lenassi Zupan
mag. Tatjana Milunovi}
dr. Mateja Novak [tagoj
Barbara Podobnik (LEK)
dr. Marjetka Podobnik
mag. Vanja Smilovi}
VODJA / HEAD
prof. dr. Radovan Komel
dr. Marija Anùr-Lasnik (LEK)
dr. Apolonija Bedina Zavec
Maja Capuder
dr. Simon Caserman
dr. Vladimira Gaberc-Porekar
dr. Katja Gale{a
[pela Jalen
dr. Simona Jev{evar (LEK)
dr. Maja Kenig (LEK)
dr. Branka Koro{ec
YOUNG RESEARCHERS
Ur{ka Dermol
Petra Dra{kovi~
Gorazd Hribar
Mateja Kusterle (LEK)
Ljerka Lah
[pela Peternel
Matja` Vogelsang
Ana-Marija Jesenko
Jelka Lenar~i~
Tea Tom{i~
Maja Maru{i}
141
PODRO^JA DEJAVNOSTI
- Preu~evanje metod za pridobivanje sodobnih
biofarmacevtikov - rekombinantnih citokinov
ter njihovih modificiranih oblik
- Celi~na biologija kvasovke S. cerevisiae
- Biotehnologija ni`jih evkariontov (nitaste glive
in kvasovke)
- Citokromi P450 nitastih gliv kot potencialne
tar~e za diagnostiko in razvoj antimikotikov
- Strukturne in funkcijske raziskave molekul, ki
sodelujejo pri celi~nem signaliziranju
RESEARCH ACTIVITIES
- Investigation of approaches to biotechnological production of modern biopharmaceuticals
- recombinant cytokines, and their modification
- Cell biology of yeast Saccharomyces cerevisiae
- Biotechnology of lower eukaryotes (filamentous fungi and yeasts)
- Cytochromes P450 of filamentous fungi as
potential targets for diagnostics and antifungals
- Funkcijska genomika
- Structural and functional studies of cell
signaling
BIBLIOGRAFIJA
1 kratki znanstveni prispevek
1 poljudni ~lanek
1 intervju
2 druga ~lanka ali sestavka
- Functional genomics
142
BIBLIOGRAPHY
1 Review Article
1 Short Scientific Article
1 Popular Article
1 Interview
2 Other Article or Component Parts
1
1
2
1
3
1
4
1
2
2
objavljeni povzetek strokovnega prispevka na konferenci
patentna prijava
patenta
predavanje na tuji univerzi
prispevki na konferencah brez natisa
vabljeno predavanje na konferenci brez
natisa
diplome
magisterij
doktorata
uredni{tvi revij
Contribution Abstract
1 Patent Application
2 Patents
1 Invited Lecture at Foreign University
1 Unpublished Invited Conference Lecture
1 Master’s Thesis
V okviru evropskega projekta Nanobiofarmacevtiki – Nanostrukturirane oblike za
ciljano dostavo biolo{kih zdravil, smo iz posebno
oblikovanih analogov TNF-alfa z regijami,
bogatimi s histidini, pripravili razli~ne nanodelce
na osnovi koordinativne vezi. Nanodelce smo
okarakterizirali in jih uporabili za {tudije
prehajanja intestinalne bariere na modelu celic
Caco-2.
In the frame of the European project Nanobiopharmaceutics - Nanoscale Functionalities for
Targeted Drug Delivery of Biopharmaceutics,
specifically designed histidine rich TNF-alpha
analogues were used for preparation of different types of nanoparticles based on coordinative bonds. Nanoparticles were characterized
and used for the permeability studies of intes-
SLIKA 1:
FIGURE 1:
Otvoritev Menartovega NANOBIO-tehnolo{kega
laboratorija.
The opening of Menart’s NANOBIO-technology laboratory.
143
V raziskavah metabolizma visoko energetskih
oblik inozitol polifosfatov (IP) smo strukturno
analizirali IP, ki jih iz naravnih substratov IP5 in
IP6 sintetizirajo tri sesalske izooblike encima
inozitol heksakisfosfat kinaza (IP6K). NMR in
masno-spektroskopske analize so pokazale
nastanek ve~ produktov z raznoliko, vendar
specifi~no stereokemijo, dolo~eno z arhitekturo
aktivnega mesta IP6K. Pokazali smo, da IP6K
katalizira sintezo tako pirofosfatnih (difosfatnih)
kot tudi trifosfatnih skupin na inozitolnem
obro~u. Na{i rezultati, ki smo jih objavili v reviji
Chemistry & Biology (Dra{kovi~ et al., 2008),
tudi potrjujejo, da imajo vse tri izooblike IP6K
primerljive aktivnosti in vitro ter in vivo.
V okviru projekta “Fosfodiesteraza cikli~nih
nukleotidov iz Mycobacterium tuberculosis:
struktura in funkcija”, katerega cilj je razloìti
povezavo med strukturo in funkcijo proteinov,
ki sodelujejo pri metabolizmu in uporabi cAMP
v mikobakterijah, smo v 2008 nadaljevali
raziskave na prvi znani cAMP-fosfodiesterazi
Rv0805 iz bakterije M. tuberculosis, ki so
vklju~evale strukturne in biokemijske analize
proteina Rv0805 celotnega ter njegovih kompleksov z razli~nimi ligandi. Vzporedno smo
za~eli tudi s primerjalnimi raziskavami homo-
tinal barrier using a Caco-2 cell model.
In studies on metabolism of highly energetic
inositol polyphosphates (IPs) we structurally
analyzed IPs synthesized by three mammalian
isoforms of the inositol hexakisphosphate kinase (IP6K), from their natural substrates IP5 and
IP6. The NMR and mass analyses revealed a
number of products with diverse, yet specific,
stereochemistry, defined by the architecture of
IP6K’s active site. As reported in our paper published in Chemistry & Biology (Dra{kovi~ et al.,
2008), IP6K synthesizes both pyrophosphate
(diphospho) as well as triphospho groups on
the inositol ring. All three IP6K isoforms share
the same activities, both in vitro and in vivo.
Within project “Cylcic nucleotide phosphodiesterase from Mycobaterium tuberculosis: structure and function”, where we study structure
and function of proteins involved in metabolism and utilization of cAMP in Mycobacteria,
research on a unique cAMP-phosphodiesterase
Rv0805 from M. tuberculosis was continued,
including structural and biochemical studies of
the full length Rv0805 and its complexes with
various ligands. In parallel, we have started
comparative studies of Rv0805 homologs identified in other genomes to understand the simi-
SLIKA 2:
Razli~ni tipi nanodelcev, ki so bili uporabljeni za
FIGURE 2:
Different types of nanoparticles used for coordina-
koordinativno vezavo s histidini bogatih proteinov:
a) komercialni nanodelci iz silike, b) s siliko prevle~eni
magnetni nanodelci in c) cink-fosfatni nanodelci z
tive binding of histidine rich proteins: a) commercial
silica nanoparticles, b) silica-coated maghemite
nanoparticles and c) zinc phosphate nanoparticles
vezanim His10TNF, vsi opazovani z elektronsko
mikroskopijo.
containing His10TNF, all observed by electron
microscopy.
144
logov Rv0805 iz genomov drugih organizmov,
da bi razumeli podobnosti oziroma razlike v
strukturi in funkciji, do katerih je pri{lo med
evolucijo.
V okviru CRP ”Konkuren~nost Slovenije 20062013” smo septembra 2008 za~eli z novim
dvoletnim projektom ”Rekombinantno cepivo
proti aviarni influenci za peroralno uporabo”, s
ciljem pripraviti rekombinantno peroralno
vakcino na osnovi proteina hemaglutinina (HA),
ki bi imela ve~ji potencial v primerjavi s klasi~nimi
cepivi zaradi la`jega na~ina aplikacije in ni`je
cene. V za~etnem obdobju smo se ukvarjali
predvsem s pripravo razli~nih nanodelcev,
bogatih s HA (nastalih v bakteriji E. coli in
kvasovki P. pastoris) ter s pripravo ustrezne
za{~ite za prehod nanodelcev skozi gastrointestinalno bariero.
Raziskave P450 monooksigenaznih kompleksov
pri nitastih glivah in vivo so usmerjene k osvetlitvi
metabolizma glivi toksi~nih spojin ter iskanju
potencialnih tar~ za nova protiglivna sredstva.
Pri nitasti glivi Cochliobolus lunatus smo po
dodatku inhibitorjev ugotovili indukcijo genov
za citokrome P450 ter razli~no izraànje njihovih
reduktaz (CPR1 in CPR2). V prisotnosti ketokonazola CPR1 bolje komplementira izni~eni
gen pri kvasovki S. cerevisiae kot CPR2. Na
goji{~u brez inhibitorja pa je stanje obratno.
Benzoatno parahidroksilazo (CYP53A15) smo
indentificirali kot tar~o naravnih protiglivnih
u~inkovin in rezultate objavili v Journal of Medicinal Chemistry, kar je kot vreden aplikativen
doseèk izpostavila tudi publikacija revije Nature, Science-Business Exchange (SciBX). Obe
CPR smo rekonstituirali v sistemu z CYP53A15
ter ugotovili preferen~no pretvorbo specifi~nih
substratov, glede na reduktazo. V teku so
optimizacije rekonstitucijskega sistema,
kineti~ne {tudije in {tudije afinitete z izotermalno kalorimetrijo.
Na{e dosedanje raziskave na proteinu Ecm11 v
kvasovki Saccharomyces cerevisiae so pokazale,
da ima Ecm11 vlogo v zgodnjih fazah mejoze
in da je njegova vloga vezana na replikacijo DNA
in prekriànje. Zadnji rezultati so pokazali, da
larity or differences in their enzymatic behavior
based on distinct structural differences acquired
during evolution.
In September 2008 a two-year project ”Oral
Recombinant Vaccine against Avian Influenza”
was approved as a part of the Target Research
Program “Slovenian Competitiveness 20062013”, with the main goal to prepare a
recombinant oral vaccine based on hemagglutinin (HA). Compared to classical vaccines
the main advantages of our approach are simple administration route and lower price of vaccine preparation. Initial research work has been
focused on preparation of nanoparticles enriched with HA protein (produced in E. coli and
P. pastoris) and on the development of proper
protection of nanoparticles to overcome the
gastrointestinal barrier.
Studies of P450 monooxygenase complexes in
filamentous fungi in vivo are aimed at elucidating the metabolism of fungitoxic compounds and discovery of novel antifungal drug
targets. In the filamentous fungus Cochliobolus
lunatus, inhibitors induce cytochrome P450
genes, and cause differential expression of their
reductases (CPR1 and CPR2). In a yeast CPR
deletion mutant, CPR1 complements its activity better than CPR2 on ketoconazole-supplemented media. The situtation is reversed on
media without added inhibitors. We have identified benzoate parahydroxylase (CYP53A15) as
a target for natural antifungals (published in
the Journal of Medicinal Chemistry and exposed
as valuable applicative issue in Science-Business
Exchange). Both CPRs were reconstituted with
CYP53A15. Preferential substrate conversion
with respect to CPR was discovered. Our further work will include optimization of reconstitution systems, kinetic studies, and affinity studies with isotermal calorimetry.
Our previous studies on Ecm11 protein of the
yeast Saccharomyces cerevisiae showed that
Ecm11 is required in the early stages of yeast
meiosis where its function is related to DNA
replication and crossing-over. Recent results
demonstrating that Ecm11 is modified by
145
je Ecm11 med mejozo uravnavan s proteinom
SUMO, kar smo objavili v FEMS Yeast Res. Pri
~loveku je okvarjeno uravnavanje sistema SUMO
prisotno pri nastanku tumorjev, pri nenormalnem vnetnem odgovoru in nevrodegenerativnih boleznih, zato je izjemno pomembno identificiranje novih sumoiliranih proteinov
in ugotavljanje njihove vloge v celici. V letu 2008
smo sodelovali s skupino Yeast Molecular Genetics Group (ICGEB, Trieste, Italy), ki je
pripravila seve S. cerevisiae z nerecipro~nimi
kromosomskimi translokacijami, kar je omogo~ilo skupno objavo v Proc Natl Acad Sci U S A.
Kvasovke smo uporabili kot modelni organizem
za preu~evanje vpliva kromosomskih translokacij, ki pri sesalcih povzro~ijo resne okvare v
celici in lahko vodijo v nastanek raka. Analize s
preto~nim citometrom, opravljene na na{em
in{titutu, so pokazale, da se je ve~ina celic s
translokacijami ustavila v fazi G1.
Marca 2008 smo odprli nov laboratorij za
Nanobiotehnologijo in ga poimenovali Menartov NANOBIO-tehnolo{ki laboratorij v spomin
na umrlega mentorja, sodelavca in prijatelja
doc. dr. Viktorja Menarta. Gre za prvi nanobiotehnolo{ki laboratorij v Sloveniji. V izgradnjo
novega laboratorija v velikosti 100 m2 in njegovo
opremo je Kemijski in{titut vloìl okrog 300.000
EUR, na{ industrijski partner, farmacevtska
dru`ba Lek d.d., pa je priskrbel opremo v
vrednosti okrog 150.000 EUR.
DRUGIMI PARTNERJI
- Laboratorij L11 è vrsto let zelo uspe{no
sodeluje s Farmacevtsko dru`bo Lek d.d. (~lan
skupine Sandoz), zlasti z enoto Biofarmacevtika, v letu 2008 pa se je sodelovanje
raz{irilo {e na dodaten projekt, ki poteka v
sodelovanju z Lekovim Razvojnim centrom.
- Vodenje oz. koordiniranje Centra odli~nosti
ESRR (Evropski strukturni skladi za regionalni
razvoj) “Biotehnologija s farmacijo”, ki
zdruùje 18 partnerjev – univerzitetnih
ustanov, raziskovalnih in{titutov, zdravstvenih
ustanov, S&M podjetij in slovenske farmacevtske industrije. L11 vodi raziskovalno146
SUMO during meiosis were published in FEMS
Yeast Res. Since damaged regulation of the
SUMO system contributes to human tumor
genesis, abnormal inflammatory response, and
neurodegenerative diseases, it is very important
to identify SUMO targets and determine their
cellular function. In 2008 our collaboration with
the Yeast Molecular Genetics Group (ICGEB,
Trieste, Italy), which constructed S. cerevisiae
strains harboring non-reciprocal chromosome
translocations, resulted in a joint publication in
the Proc Natl Acad Sci U S A. The yeast was
used as a model organism to study the effects
of chromosome translocation, which often
leads to severe cellular defects that can provoke neoplastic transformation. FACS analysis
performed at our institute revealed that the
majority of translocant cells were blocked in the
G1 phase.
In March 2008 a new laboratory for Nanobiotechnology has been opened and dedicated to
the memory of our deceased mentor, co-worker
and friend, Assist. Prof. Dr. Viktor Menart. It is
the first nanobiotechnology laboratory in
Slovenia. The costs of construction and equipment of the 100 m2 laboratory were covered
by the National Institute of Chemistry (300.000
EUR) and Lek Pharmaceuticals d.d. (150.000
EUR).
OTHER PARTNERS
- Laboratory L11 has been successfully collaborating with Lek Pharmaceuticals d.d (a
Sandoz Company) for many years, mainly
with Biopharmaceutical Operations unit,
Menge{. In 2008 the collaboration was extended to an additional project with the Lek
Development Centre.
- Heading and coordinating the Centre of
Excelence (CoE) “Biotechnology with Pharmacy” at European Structural Funds for Regional Development (ESRR), associating 18
partners – from university institutions, public research institutes, medical & health care
razvojni projekt CO RRP2 “Na~tovanje,
pridobivanje in karakterizacija biofarmacevtikov”.
- Laboratorij L11 je skupaj z laboratorijem L12
zadolèn za vodenje regionalnega urada (Regional Branch Office, RBO) Evropske federacije za biotehnologijo (EFB) za Slovenijo.
- FW6-2004-NMP-NI-4; IP 026723-2 NANOBIOPHARMACEUTICS: Integrated FW6 Project
“Nanotechnology-based Targeted Drug Delivery” (V. Gaberc-Porekar - partnerstvo pri
projektu; 2006 - 2010).
- ICGEB CSA (International Centre for Genetic
Engineering and Biotechnology): R. Komel ~lan Znanstvenega sveta ICGEB (CSA - Council of Scientific Advisers; drugi mandat 2007
- 2009).
- Indian Institute of Science, Bangalore, Indija:
sodelovanje s prof. Sandhya S. Visweswariah
na projektu “Fosfodiesteraza cikli~nih
nukleotidov iz Mycobacterium tuberculosis:
institutions, S&M enterprises and Slovenian
pharmaceutical industry. Laboratory L11 is
coordinating CoE R&D project 2 “Design,
production and characterization of biopharmaceuticals”.
- Laboratory L11 and Laboratory L12 at the
National Institute of Chemistry are the seat
of the Regional Branch Office (RBO) of the
European Federation of Biotechnology (EFB).
- FW6-2004-NMP-NI-4; IP 026723-2 NANOBIOPHARMACEUTICS: Integrated FW6
Project “Nanotechnology-based Targeted
Drug Delivery” (V. Gaberc-Porekar – project
partnership; 2006 - 2010).
- ICGEB CSA (International Centre for Genetic
Engineering and Biotechnology): R. Komel –
member of Scientific Council ICGEB (CSA Council of Scientific Advisers; second mandate 2007 - 2009).
- Indian Institute of Science, Bangalore, Indija:
collaboration with Prof. Sandhya Viswe-
SLIKA 3:
FIGURE 3:
1
H-razsklopjena-31P NMR spektra, s pomo~jo katerih
smo prvi pokazali, da inozitol oktakisfosfat (IP8), ki
ga sintetizira IP6K, vsebuje trifosfatno skupino
1
H-decoupled-31P NMR spectra, based on which we
showed for the first time, that inositol octakisphosphate synthesized by IP6K, contains a triphos-
(Dra{kovi~ et al., Chemistry & Biology, 2008, 15, 274286).
phate group (Dra{kovi~ et al., Chemistry & Biology,
2008, 15, 274-286).
147
struktura in funkcija” (ARRS, L1-0378-010408, vodja dr. M. Podobnik) ter bilateralni
projekt BI-IN/06-07-010.
- Johns Hopkins University Medical School,
Baltimore, USA: sodelovanje z dr. Rashina
Bhandari in prof. Solomon Snyder. Tematika:
metabolizem inozitol polifosfatov (dr. M.
Podobnik).
- Medical Research Council Laboratory for
Molecular Cell Biology and Cell Biology Unit,
University College London, Gower Street,
London WC1E 6BT, UK. Sodelovanje z dr.
Adolfom Saiardijem. Tematika: metabolizem
inozitol polifosfatov (dr. M. Podobnik).
- Laboratorij za gensko tehnologijo
- Laboratorij za izolacijo, ~i{~enje in karakterizacijo (rekombinantnih) proteinov
- Laboratorij za celi~ne kulture
- Mikrobiolo{ki laboratorij
- Laboratorij z bioreaktorji
- Laboratorij za nanobiotehnologijo
- Kriobanka
Vsi omenjeni laboratoriji so ustrezno opremljeni
za izvajanje navedenih projektov, kot pomembnej{o pa posebej navajamo naslednjo opremo:
- Preto~ni citometer z mo`nostjo sortiranja
celic (Beckman Coulter)
- Konfokalni mikroskop Leica TCS SP5 (Leica
Microsystems, z laserskimi linijami 405, 458,
476, 488, 514, 543, 633)
- Fluorescen~ni mikroskop (Zeiss ) s sistemom
za slikanje
- Stereo mikroskop (Nikon)
- Fluorimeter (PTI)
- 2 UV/VIS spektrofotometra (Agilent, HewlettPackard)
- Chirascan CD Spectrometer (Applied Photophysics, konzorcij)
- Dynamic Light Scattering Detector (DynaPro)
148
swariah; project “Cylcic nucleotide phosphodiesterase from Mycobaterium tuberculosis: structure and function” (Slovenian Research Agency, L1-0378-0104-08; project
leader Dr. M. Podobnik) and Bilateral Project
BI-IN/06-07-010.
- Johns Hopkins University Medical School,
Baltimore, U.S.A.: collaboration with Dr.
Rashina Bhandari and Prof. Solomon Snyder
on metabolism of inositol phosphates (Dr. M.
Podobnik).
- Medical Research Council Laboratory for
Molecular Cell Biology and Cell Biology Unit,
University College London, Gower Street,
London WC1E 6BT, UK. Collaboration with
Dr. Adolfo Saiardi on metabolism of inositol
phosphates (Dr. M. Podobnik).
MAJOR EQUIPMENT
- Laboratory for gene technology
- Laboratory for isolation, purification and characterization of (recombinant) proteins
- Laboratory for cell cultures
- Laboratory for microbiology
- Laboratory with bio-reactors
- Laboratory for nanobiotechnology
- Cryobank
Laboratories are equipped with modern instruments for realization of the projects mentioned
above. Below is the list of most important instruments:
- Flow cytometer with cell sorter (Beckman
Coulter)
- Confocal microscope Leica TCS SP5 (Leica
Microsystems, with laser lines 405, 458, 476,
488, 514, 543, 633)
- Fluorescence microscope with CD camera
(Zeiss)
- Stereo microscope (Nikon)
- Fluorimeter (PTI)
- 2 UV/VIS spectrophotometers (Agilent,
Hewlett-Packard)
- ProExpress Imaging System za denzitometri~no obdelavo (Perkin Elmer)
- Chirascan CD Spectrometer (Applied Photophysics, consortium)
- Isothermal Titration Calorimeter (MicroCal,
konzorcij)
- Dynamic Light Scattering Detector (DynaPro)
- 5 preparativnih sistemov za kromatografske
separacije proteinov (Amersham Biosciences,
Knauer)
- ProExpress Imaging System for densitometric
analysis (Perkin Elmer)
- Isothermal Titration Calorimeter (MicroCal)
- 2 analitska HPLC sistema (Waters, Knauer)
- 5 preparative HPLC systems for protein separations (Amersham Biosciences, Knauer)
- 2 ra~unalni{ko vodena laboratorijska bioreaktorja (Applikon)
- 2 Analytical HPLC systems (Waters, Knauer)
- 3 sistemi za pripravo Milli-Q vode (Millipore)
- 2 computer assisted laboratory bio-reactors
(Applikon)
- hladilne kapacitete +40C, -200C in –700C
- 3 systems for Milli-Q water (Millipore)
- 4 stresalniki
- Cooling and freezing capacities (+4ºC, 20ºCand –70ºC)
- sklop aparatur za pomnoèvanje in sekven~no
analizo DNA
- system za dokumentacijo gelov (Chemi Doc,
BIO-RAD)
- Gel documentation system (Chemi-Doc,
BIORAD)
- Shakers and Incubators
- ultracentrifuga (Beckman L7-55)
- Set of instruments for PCR and DNA sequence
analysis
- PETERNEL, [pela. Nastanek in lastnosti
neklasi~nih inkluzijskih teles v bakteriji Escherichia coli : doktorska disertacija = Formation and properties of nonclassical inclusion bodies in bacteria Escherichia coli : doctoral thesis. Ljubljana: ¢[. Peternel¥, 2008. X,
151 f., ilustr. ¢COBISS.SI-ID 3986970¥. Mentor: prof. dr. Radovan Komel.
- ultracentrifuge (Beckman L7-55)
Obisk:
- Prof. Sandhya S. Visweswariah, Indian Institute of Science, sodelovanje na projektih dr.
Marjetke Podobnik.
Mlada raziskovalka Ljerka Lah zmagovalka
Novartisovega BioCampa
Mlada raziskovalka Ljerka Lah iz Laboratorija za
biosintezo in biotransformacije na Kemijskem
in{titutu v Ljubljani se je uspe{no udeleìla
seminarja Novartis BioCamp v Baslu, v [vici, ki
je potekal od 28. do 30. avgusta 2008. Na
seminarju so vrhunski strokovnjaki, med njimi
tudi predsednik uprave Novartisa dr. Daniel
Vasella, 45 {tudentom z vodilnih evropskih
- PETERNEL, [pela. Formation and properties
of nonclassical inclusion bodies in bacteria
Escherichia coli : doctoral thesis. Ljubljana:
¢[. Peternel¥, 2008. X, 151 f., ilustr. ¢COBISS.SI-ID 3986970¥. Mentor: Prof. Dr.
Radovan Komel.
Visitors:
- Prof. Sandhya S. Visweswariah, Indian Institute of Science, collaboration with Dr.
Marjetka Podobnik.
Ljerka Lah - Junior Researcher Winner of
Novartis BioCamp
Junior researcher Ljerka Lah from the Department of Biosynthesis and Biotransformation at
the National Institute of Chemistry, Ljubljana,
has successfully attended the European Novartis
Biotechnology Leadership Camp (BioCamp),
which took place in Basel, Switzerland, from
28-30th August, 2008. Leading biotechnology
149
univerz predstavili najnovej{e trende v farmacevtski industriji in biotehnologiji. Udeleènci
BioCampa so med drugim tekmovali na
delavnici za pripravo najbolj{ega poslovnega
na~rta, kako prenesti akademska biotehnolo{ka
odkritja v industrijo. Strokovna komisija, ki jo
je vodil direktor korporativnih raziskav v
Novartisu prof. Paul Herrling, je izbrala dva
zmagovalca na podlagi njunega prispevka k
re{evanju zastavljene naloge v skupini, {e
posebno glede na njuno timsko delo, kreativnost, analiti~no razmi{ljanje in voditeljske
sposobnosti. [tudentje so morali v nalogi
pokazati, kako osnovati manj{e biotehnolo{ko
podjetje, oziroma kako raziskovalni doseèk
pripeljati do komercialnega izdelka in to
predstaviti skladom rizi~nega kapitala ter
pridobiti sredstva za nadaljnje raziskovalno
delo. Zmagovalca seminarja, Ljerka Lah s
Kemijskega in{tituta in Florian Kowalke z
univerze ETH v Zurichu, sta nato sodelovala {e
na svetovnem BioCampu. Seminarja, ki je
potekal oktobra 2008 v Hong Kongu, se je
udeleìlo 57 {tudentov iz 20 dràv z vsega
sveta. Seminar BioCamp in njegov namen so
septembra 2008 na Kemijskem in{titutu
predstavile direktorica Biofarmacevtike v Leku,
ki je ~lan skupine Sandoz, dr. Violeta Gabrijel~i~,
Ljerka Lah ter mlada raziskovalka Nina Ko~evar,
ki se je prav tako udeleìla seminarja v [vici.
Ljerka Lah trenutno opravlja doktorski {tudij s
podro~ja biomedicine. Pri raziskovalnem delu
se ukvarja s {tudijem citokrom P450 monooksigenaznih sistemov pri nistastih glivah in
njihovo potencialno uporabo kot tar~ novih,
bolj u~inkovitih protiglivnih u~inkovin.
150
experts, among them Dr. Daniel Vasella,
Novartis CEO, and 45 students from top European universities gathered to interact and learn
about global trends in the pharmaceutical industry and biotechnology. The students were
also working on a case study on how to apply
basic research and develop a business plan. The
expert committee, lead by professor Paul
Herrling, Head of Corporate Research at
Novartis, chose two best students based on their
efforts, team work, creativity, analytical thought
and leadership abilities. The students had to
successfully develop a business plan to transfer
promising results of academic studies into a
commercial product, and present it to venture
capitalists, and thus gain further funding for
their research. The winners of the European
BioCamp Ljerka Lah from the National Institute
of Chemistry, Ljubljana, and Florian Kowalke
from ETH Zurich, participated at the International BioCamp held in October 2008 in Hong
Kong along with 55 other students from 20
countries from around the globe.
Dr. Violeta Gabrijel~i~, Head of Biopharmaceuticals at Lek, a Sandoz company, Ljerka
Lah and junior researcher Nina Ko~evar, who
also participated at the seminar, presented
BioCamp and its aims at the National Institute
of Chemistry in September 2008. Ljerka Lah is
currently a PhD student. Her research interests
revolve around cytochrome P450 monooxygenase sytems in filamentous fungi, and
their potential as targets for novel, more effective antifungal drugs.
Laboratorij za biotehnologijo
Laboratory of Biotechnology
L12
VODJA / HEAD
prof. dr. Roman Jerala
dr. Mojca Ben~ina
dr. Joèfa Friedrich
dr. Helena Gradi{ar
dr. Iva Hafner Bratkovi~
prof. dr. Matic Legi{a
dr. Andreja Majerle
dr. Mateja Man~ek Keber
dr. Martina Mohor~i~
dr. Primo` Pristov{ek
dr. Tina [olar
dr. Joìca Va{l
dr. Mateja Zorko
YOUNG RESEARCHERS
Matev` Avbelj
Tanja Bagar
Veronika Brundula (ni zaposlena / not employed)
Monika Cigli~
Ota Fekonja
Jernej Ga{per{i~
Karolina Ivi~ak
Nina Klemen~i~
Alenka Ku`nik
Bla` Nemec
Alja Oblak
Gabriela Panter
Nina Pirher
Jelka Pohar (ni zaposlena / not employed)
Nu{a Resman
Mireille Treeby Premu{
Andreja [merc
Aleksandra Usenik
Mojca Zelnikar
Robert Brem{ak
Darija Oven
Irena [kraba
151
PODRO^JA DEJAVNOSTI
Raziskave v laboratoriju so usmerjene v raziskave
biolo{kih procesov, kot sta prepoznavanje
biolo{kih makromolekul in prenos signalov v
celicah, ki imajo potencialno uporabnost preko
uporabe pristopov sintezne biologije (predvsem
biotehnolo{ko, medicinsko in farmacevtsko). Pri
tem uporabljamo moderne metode znanosti o
ìvljenju, kot so biokemija, molekularna in
celi~na biologija, mikrobiologija, biofizika in
strukturna biologija ter bioinformatika.
Raziskave s podro~ja medicine se nana{ajo na
molekularne mehanizme naravne imunosti,
konformacijskih bolezni in strukture amiloidov
in delovanja antimikrobnih u~inkovin. Zanimajo
nas mehanizmi prepoznavanja in biolo{ke
aktivnosti na molekulski ravni, zlasti molekulskih
vzorcev zna~ilnih za patogene mikroorganizme
(PAMP), zato uporabljamo instrumentalne
metode z visoko lo~ljivostjo in ob~utljivostjo,
kot sta jedrska magnetna resonanca (NMR) in
fluorescen~na spektroskopija. Raziskave
vklju~ujejo {tudij fiziologije mikroorganizmov,
ki izlo~ajo encime, organske kisline, antibiotike
in druge zdravilne u~inkovine, kot tudi
rekombinantne proteine.
152
RESEARCH ACTIVITIES
Activities of the Department are oriented towards research of biochemical processes, such
as biomolecular recognition and signal transduction within cells, which have potential application (biotechnological, medicinal, and
pharmaceutical). We use modern methods of
life sciences including biochemistry, molecular
and cell biology, microbiology, biophysics, structural biology and bioinformatics.
Research topics with application in medicine
are molecular mechanisms of innate immunity,
conformational diseases and structure of
amyloids, as well as activity of antimicrobial
agents. We are interested in mechanisms of
recognition and biological activity on molecular level, especially molecular patterns characteristic for pathogenic microorganisms (PAMP),
therefore we use instrumental methods with
high resolution and sensitivity, such as nuclear
magnetic resonance (NMR) and fluorescent
spectroscopy. The research includes physiology
studies of microorganisms excreting enzymes,
organic acids, antibiotics and other pharmaceuticals, as well as recombinant proteins.
BIBLIOGRAFIJA
3 strokovni ~lanki
9 intervjujev
konferencah
2 objavljena povzetka strokovnih prispevkov
na konferencah
2 patenta
8 diplom
4 doktorati
BIBLIOGRAPHY
3 Professional Articles
in a Monograph
9 Interviews
Contribution Abstracts
2 Patents
Najpomembnej{i doseèk Laboratorija za
biotehnologijo v letu 2008 je bila pojasnitev
MAIN ACHIEVEMENTS IN 2008
The most important achievement of the Laboratory of Biotechnology was clarification of
SLIKA 1:
Shematski prikaz razlike v aktivaciji receptorja TLR3 s
FIGURE 1:
Schematic representation of difference in activation
pomo~jo virusne ter interferen~ne RNK. V obeh
primerih se na RNK veè zunanja domena TLR3, ki
dimerizira in sproì aktivacijo.
of TLR3 receptor by viral and interference RNA. In
both cases the RNA binds to the ectodomain of TLR3,
which dimerizes and triggers activation.
153
mehanizma prepoznavanja dvoveri`ne RNK in
aktivacije interferona, ki je bila objavljena v Nature Structural and Molecular Biology.
Raziskovalci Laboratorija za biotehnologijo
Kemijskega in{tituta, Nina Pirher, Karolina Ivi~ak,
Jelka Pohar, Mojca Ben~ina in Roman Jerala, so
odkrili mehanizem, kako celi~ni receptor TLR3
prepoznava samo dvoveri`no RNK, ki je dalj{a
od 21 baznih parov. Ugotovili so, da sta za to
odgovorni dve vezalni mesti na TLR3. Razdalja
med njima ustreza dvema zavojema dvoveri`ne
nukleinske kisline v A-obliki konformacije oz.
21 baznim parom. Ta razporeditev tudi
omogo~a razlikovanje med A- in B-obliko, ki se
med seboj razlikujeta po dolìni zavoja. To
odkritje je omogo~ilo pojasnitev ve~ kot 30 let
stare »konformacijske hipoteze aktivacije interferona". TLR3 receptor celicam omogo~a
prepoznavanje virusov. Ob vezavi dvoveri`ne
RNK na receptor pride do dimerizacije recep-
mechanism for recognition of doublestranded
RNA and interferon activation by TLR3 receptor,
which was published in Nature Structural and
Molecular Biology.
Reseachers of the Department of Biotechnology, Nina Pirher, Karolina Ivi~ak, Jelka Pohar,
Mojca Ben~ina and Roman Jerala discovered
how the TLR3 cell receptor recognizes double
stranded RNA longer than 21 base pairs. They
revealed the existence of two binding sites on
TLR3 ectodomain. The distance between these
binding sites corresponds to two turns of double stranded nucleic acid in the A-type conformation, which spans 21 base pairs. This arrangement allows differentiation between the
A- and B-type form, that differ in the helical
pitch.
This discovery explained more than 30 years
old “conformational hypothesis of interferon
activation”. The TLR3 receptor enables recog-
SLIKA 2:
Avtorji raziskave iz Laboratorija za biotehnologijo:
prof. Roman Jerala, mladi raziskovalki Karolina Ivi~ak
FIGURE 2:
Authors of the research: Prof. Roman Jerala, Karolina
Ivi~ak and Nina Pirher (young researchers), Dr. Mojca
in Nina Pirher, dr. Mojca Ben~ina in diplomantka
mikrobiologije Jelka Pohar.
Ben~ina and Jelka Pohar (BSc student).
154
torja, kar sproì signal, ki vodi do aktivacije
celic z izlo~anjem interferona alfa, ki celici
omogo~i obrambo pred virusi. Raziskovalci
Laboratorija za biotehnologijo so pripravili
to~kovne mutante receptorja in preko aktivnosti na ~love{kih celicah dokazali obstoj
drugega vezalnega mesta, ki so ga prej
napovedali s pomo~jo molekularnega modeliranja. Zelo pomemben rezultat raziskave je,
kako receptor prepoznava ne samo virusno
RNK ampak tudi kratko interferen~no RNK
(siRNK), ki predstavlja eno izmed najbolj
perspektivnih vrst terapije. Za odkritje siRNK
sta Fire in Mello leta 2006 prejela Nobelovo
nagrado za medicino. Aktivacija TLR3 je ob
uporabi terapije s siRNK nezaèljena, saj èlimo
uti{anje to~no dolo~enih genov. Odkritje na{e
skupine bo omogo~ilo razvoj bolj u~inkovitih
oblik siRNK, ki ne bodo povzro~ile aktivacije
imunskega sistema. Rezultate raziskav je
objavila ugledna revija Nature Structural and
Molecular Biology.
http://www.nature.com/nsmb/journal/vaop/
ncurrent/abs/nsmb.1453.html;jsessionid=
14E7AE7FB7A38CE02D5032C284D11A8D
Velik del raziskav v laboratoriju je potekal na
podro~ju imunskega prepoznavanja bakterijskih infekcij. Te raziskave omogo~ajo
razumevanje delovanja imunskega sistema kot
obrambe pred oku`bo z mikroorganizmi in kot
za{~ito pred nevarnostjo, kar se pogosto kaè
v obliki kroni~nih vnetij. Pri teh procesih
pomembno vlogo igrajo Tollu-podobni
receptorji, med katerimi raziskujemo receptorje
TLR3 in TLR4 skupaj z njegovim koreceptorjem
MD-2, TLR5 ter TLR 7 do TLR9.
Pomemben del raziskav je bil osredoto~en na
{tudij mehanizma aktivacije TLR4 z bakterijskim
endotoksinom preko koreceptorja MD-2.
Naravne variacije proteinov, ki sodelujejo pri
prepoznavanju in vezavi LPS-a namre~ vplivajo
na celi~ni odziv na bakterijsko infekcijo.
[tudirali smo funkcionalne lastnosti dveh
polimorfizmov MD-2, in sicer G56R in P157S,
ki sta dokumentirana v bazi HapMap in sta
nition of viral RNA by causing dimerization of
TLR3 upon binding to dsRNA, which triggers
the intracellular signaling cascade, leading to
the production of antiviral interferon alpha.
Researchers of the Laboratory of Biotechnology
prepared several point mutants of the receptor
and through the activity on transformed human cell lines proved the existence of the second binding site that they previously predicted
by molecular modeling. Very important implication of their result is that the receptor recognizes not only viral but also short interfering
RNA (siRNA), which represents one of the most
promising method of therapy. Fire and Mello
received Nobel Prize for medicine in 2006 for
the discovery of RNA interference. TLR3 activation is an unwanted side product of siRNA
therapy, as the specific silencing of the selected
gene is desired rather than activation of the
immune system. Discovery of our group will
enable the development of more effective therapeutic siRNA, devoid of activation of the immune system. Results of the group from the
National Institute of Chemistry were recently
published in Nature Structural and Molecular
Biology.
http://www.nature.com/nsmb/journal/vaop/
ncurrent/abs/nsmb.1453.html;jsessionid=
14E7AE7FB7A38CE02D5032C284D11A8D
An important part of the laboratory experiments
was devoted to the field of immunological recognition of bacterial infections. This research
enables better comprehension of the immune
system activity in function of protection and
defense against infection with microorganisms,
which often appears in the form of chronical
inflammations. In these processes Toll-like
receptors play an important role. Out of them
we are mostly studying TLR3, TLR4 with its
coreceptor MD-2, TLR5, and TLR7 to TLR9
receptors of the innate immunity.
In the frame of this research mechanism of activation of TLR4 by bacterial endotoxin via MD2 was studied. Natural polymorphic variants of
proteins, which participate in the recognition
155
dokaj pogosta v ~love{ki populaciji. Ugotovili
smo, da mutacija G56R mo~no znià celi~ni
odziv na LPS, saj je locirana blizu vezavnega
mesta za LPS, medtem ko mutanta P157S ni
imela vpliva na funkcijo MD-2, kar je bilo zaradi
oddaljenosti od vezavnega mesta pri~akovano.
Rezultate smo objavili v reviji The Journal of Immunology.
Pri raziskavah posttranslacijske modifikacije 6fosfofrukto-1-kinaze (PFK1), ki smo jo najprej
opisali pri glivi Aspergillus niger, smo uspeli
dokazati, da zelo podoben proces poteka tudi
v ~love{kih celicah. Povezan je s transformacijo
normalnih celic v rakaste. Pri celi vrsti tumorigenih metastaznih celi~nih linijah namre~
nismo mogli zaznati prisotnosti 85 kDa
nativnega PFK1 encima, ampak samo 45-47
kDa velike fragmente. Z delno proteolizo
izoliranega PFK1 encima iz zaj~jih mi{ic smo
uspeli dobiti aktiven kraj{i fragment PFK1, ki je
bil rezistenten na inhibicijo s citratom. Zadnji
test, ki dokon~no potrjuje hipotezo, da so tudi
kraj{e oblike PFK1 encima lahko aktivne, pa smo
izvedli na sevu bakterije E.coli z uni~enimi
lastnimi geni za PFK1 encim, ki ne raste na
glukoznem substratu. Iz humane cDNA smo
pripravili celo serijo skraj{anih pfkA genov in jih
vnesli v omenjeni sev E.coli. Pri transformantah,
ki so omogo~ale sintezo 45 kDa in 47 kDa
velikega fragmenta, smo zaznali rast na glukozi,
v homogenatu obeh sevov pa smo tudi izmerili
PFK1 aktivnost. Ti rezultati potrjujejo na{o
domnevo, da je za indukcijo t.i. aerobne
glikolize (Warburgov efekt) pri rakastih celicah
potrebna posttranslacijska modifikacija nativnega PFK1 encima. Pri tem nastane visoko
aktiven kraj{i fragment, ki je rezistenten na
inhibicijo povratne zveze s citratom.
Mednarodni projekti:
- Dva evropska projekta v okviru 6. okvirnega
programa: Eurofungbase in TSEUR
- Bilateralno sodelovanje s Hrva{ko, ZDA,
Norve{ko in Argentino
- Skupaj z zdruènjem EuropaBio (the Euro156
and binding of LPS affect cellular response to
bacterial infections. We studied functional characteristics of two polymorphisms of MD-2,
namely G56R and P157S, which are documented in the base HapMap and are quite frequent in human population. We found that the
mutation G56R severely decreased cellular response to LPS due to its location close to the
binding site for LPS, while the mutant P157S
did not show any effect on the function of MD2 due to its location far from the binding site
of LPS. Results of the research were published
in The Journal of Immunology.
The switch from oxidative phosphorylation to
glycolytic metabolism (Warburg effect) is consistent characteristic of malignant cells. It is
somehow similar to metabolic conditions in
Aspergillus niger where a posttranslational
modification of 6-phosphofructo-1-kinase
(PFK1) was described to be responsible for such
a phenomenon. Recently, we were able to prove
that a similar process appears in cancer cells
which results in deregulated metabolic flow
through glycolysis. First, we have shown that
active, citrate inhibition resistant, shorter fragment of PFK1 enzyme can be made under in
vitro conditions by proteolytic cleavage of the
native mammalian PFK1 enzyme. By Western
blotts only fragmented forms of PFK1 enzyme
were detected in tumorigenic cell lines with a
characteristic fragment of 47 kDa while the
native protein of 85 kDa was completely absent. Finally, the efficiency of the shorter human PFK-M fragment was tested in bacterial
E.coli strain lacking its own native PFK1 proteins.
- Two EU projects in the FP6: Eurofungbase and
TSEUR
- Bilateral cooperation with Croatia, USA, Norway and Argentina
- Together with EuropaBio (the European Association for Bioindustries) (http://www.europabio.org), which in the frame of the Euro-
pean Association for Bioindustries) (http://
www.europabio.org), ki v okviru Evropske
tehnolo{ke platforme za trajnostno kemijo
(www.suschem.org) organizira okrogle mize
o industrijski biotehnologiji v novih dràvah
~lanicah, smo organizirali posvet »Okrogla
miza o industrijski biotehnologiji v Sloveniji",
ki jo je vodil prof. Roman Jerala. Podatki o
okrogli mizi so objavljeni na spletni strani
http://www.bio-economy.net/bioeconomy/
member_states/slovenia/index_slovenia.html.
Pogodbe s podjetji v tujini:
- DSM Food Specialists, Nizozemska
pean Technology Platform for Sustainable
Chemistry (www.suschem.org) organizes
roundtables on industrial biotechnology in
new member states, we organized "Roundtable on Industrial Biotechnology in Slovenia", chaired by Prof. Roman Jerala. Information on the event and conclusions are published on the web site http://www.bioeconomy.net/bioeconomy/member_states/
slovenia/index_slovenia.html.
Contracts with companies abroad:
- DSM Food Specialists, The Nederlands
- Novozyme, Denmark
- Novozyme, Danska
- Jungbunzlauer, Switzerland
- Jungbunzlauer, [vica
Neformalno sodelovanje z drugimi znanstvenimi ustanovami po svetu:
- University of Strathclyde, Glasgow, [kotska
Informal collaboration with other academic institutions in the world:
- University of Strathclyde, Glasgow, United
Kingdom
- The University of Edinburgh, Edinburgh,
[kotska
- The University of Edinburgh, Edinburgh,
United Kingdom
- Technische Universität Graz, Avstrija
- Technische Universität Graz, Austria
- Universidad de Navarra, Pamplona, [panija
- Universidad de Navarra, Pamplona, Spain
- Indian Institute of Science, Bangalore, Indija
- Indian Institute of Science, Bangalore, India
- University of Cambridge, Velika Britanija
- University of Cambridge, Great Britain
- Avstrijska akademija znanosti, Graz, Avstrija
- Austrian Academy of Science, Graz, Austria
- Preto~ni citometer s sorterjem EPICS®
ALTRA™, Beckman Coulter
MAJOR EQUIPMENT
- Flow cytometer with cell sorter EPICS®
ALTRA™, Beckman Coulter
- Laserski konfokalni fluorescen~ni mikroskop
Leica DMI3000B
- Laser confocal fluorescent microscope Leica
DMI3000B
- CD spektrometer Chirascan, Applied Photophysics
- CD spectrometer Chirascan, Applied Photophysics
- UV/VIS spektrometer, Perkin Elmer Lambda
25
- UV/VIS spectrometer, Perkin Elmer Lambda
25
- Fluorescen~ni luminometer, Perkin Elmer LS55
- Fluorescent luminometer, Perkin Elmer LS-55
- Luminometer/fluorimeter za mikrotitrske
plo{~e z injektorjem, Mitras
- Grafi~na postaja Silicon Graphics Fuel s
programsko opremo za NMR, molekularno
modeliranje in SAR
- Luminometer/fluorimeter for microtiter plates
with injector, Mitras
- Graphical workstation Silicon Graphics Fuel
with software for NMR, molecular modeling
and SAR analysis
157
- Bioreaktorji: Infors
- Bioreactors: Infors
- HPLC in drugi kromatografski instrumenti
- HPLC and other chromatographical instruments
- Sistem za 2D elektroforezo s programsko
opremo za vrednotenje podatkov (Melanie)
- Laboratorij za delo z mikroorganizmi
- System for 2D electrophoresis with software
for data evaluation (Melanie)
- Laboratorija za delo s celi~nimi kulturami
- Laboratory for microbiology
- Laboratory for cell culture
Pet sodelavcev L12 je habilitiranih za sodelovanje pri do- in podiplomskem {tudiju
Univerze v Ljubljani.
Diplomska dela v letu 2008: 6 (Lotri~, Kokli~,
[krjanec, Fekonja, Pohar, Oblak)
Doktorska dela v letu 2008: 4 ([olar, HafnerBratkovi~, Va{l, Zorko)
Obiski tujih sodelavcev:
- prof. Adriano Guzzi, Univerzitetna klinika,
Zürich, [vica;
- prof. Luis Emilio Iglesias, Univerza Quilmes,
Buenos Aires, Argentina;
Five members of the Department L12 participate as lecturers or demonstrators at the under- and postgraduate level at the University of
Ljubljana.
BSc theses in 2008: 6 (Lotri~, Kokli~, [krjanec,
Fekonja, Pohar, Oblak)
PhD theses in 2008: 4 ([olar, Hafner-Bratkovi~,
Va{l, Zorko)
Visits of foreign collaborators:
- Prof. Adriano Guzzi, University Clinic, Zürich,
Switzerland
- prof. Nicholas Gay, University of Cambridge,
Velika Britanija.
- Prof. Luis Emilio Iglesias, University of
Quilmes, Buenos Aires, Argentina
DOSE@EK ODMEVEN V MEDIJIH
9. november 2008, Cambridge - Ekipa {tudentov Univerze v Ljubljani je na mednarodnem
tekmovanju raziskovalnih projektov (iGEM) na
presti`ni univerzi MIT v Cambridgu, ZDA
pometla s konkurenco najuglednej{ih univerz
z osvojitvijo prvega mesta v generalni razvrstitvi
(Grand Prize), ob tem pa dosegla tudi prvo
mesto na podro~ju zdravja in medicine ter zlato
medaljo. Raziskovalna skupina {tudentov se je
pod vodstvom mentorjev s Kemijskega in{tituta,
Ljubljana ter Univerze v Ljubljani, lotila izdelave
cepiva proti bakteriji, ki povzro~a raka na
èlodcu in tankem ~revesju.
Med 84 sodelujo~imi ekipami na tekmovanju
je bila ve~ina iz ZDA, 21 iz Evrope, ter ekipe iz
Kanade, Azije, Avstralije in Latinske Amerike. V
finale se je uvrstilo 6 ekip, poleg slovenske ekipe
{e Harvard, Caltech, UC Berkeley, Freiburg in
tajvanska univerza NYMU. Po finalnem nastopu
158
- Prof. Nicholas Gay, University of Cambridge,
Great Britain
ACHIEVEMENT NOTED IN THE MEDIA
Slovenian synthetic biologists once again overcame teams from world best Universities:
9th November 2008, Cambridge – At the international competition of research projects iGEM
at the prestigious University MIT in Cambridge,
USA, a team of students from University of
Ljubljana, in a concurence of most respectable
Universities, won Grand Prize in general ranking, and golden medal in the field of Health
and Medicine. The research group of students
under supervision of mentors from the Laboratory of Biotechnology at the National Institute
of Chemistry and University of Ljubljana prepared a vaccine against the bacterium, which
causes cancer of stomac and small intestine.
Among 84 competing teams at the competition most of them were from the USA, 21 from
Europe, others from Canada, Asia, Australia and
Latin America. Six teams were selected for fi-
so sodniki iz najuglednej{ih svetovnih univerz
ter biotehnolo{kih in farmacevtskih podjetij
izbrali najbolj{e projekte. Prvo mesto je osvojila
Slovenija, drugo Freiburg ter tretje Caltech.
Slovenska ekipa je veliko nagrado osvojila è
pred dvema letoma, medtem ko je bila lansko
leto prva na podro~ju medicine. Slovenska ekipa
ima med vsemi dale~ najve~je uspehe, saj se je
v treh dosedanjih nastopih vedno uvrstila med
finaliste.
Na tekmovanju iGEM sodelujejo {tudentske
ekipe, ki pod vodstvom mentorjev ~ez poletje
pripravijo ter izvedejo raziskovalni projekt s
podro~ja sintezne biologije. Ti projekti vklju~ujejo veliko zahtevnega eksperimentalnega
dela. Vodja ekipe, prof. Jerala pravi “Na
nedavnem sre~anju o prihodnosti sintezne
biologije, katerega je organiziral Wellcome Trust
so vodilni raziskovalci na tem podro~ju
ugotavljali, da najve~ inovacij na podro~ju
sintezne biologije v zadnjih letih izvira prav iz
tekmovanja iGEM".
“Vedel sem, da smo pripravili odli~en projekt,
{e posebej za tako kratek ~as, vendar na tako
dobro uvrstitev po pravici povedano nisem
ra~unal”, pravi eden od mentorjev prof. Simon
Horvat z Biotehni{ke fakultete. ^lani ekipe so
na projektu intenzivno delali ve~ kot {tiri
mesece, od junija do za~etka novembra 2008.
Projekt je na tekmovanju odli~no predstavil Jan
Lonzari}, {tudent biokemije na Fakulteti za
kemijo in kemijsko tehnologijo, pri pripravi
predstavitve, ki je dostopna tudi na spletu (http:/
/2008.igem.org/Team:Slovenia.), pa so sodelovali vsi ~lani ekipe. “Mislim, da so {tudenti
sodnike prepri~ali s svojo suvereno razlago
rezultatov, pa tudi ciljev in teoreti~nega ozadja
projekta”, pravi mentorica Nina Pirher.
Opis projekta:
Raziskovalni projekt slovenske ekipe je bil
namenjen pripravi visoko-tehnolo{kega cepiva
proti bakteriji Helicobacter pylori. Ta bakterija
naseli zelo negostoljubno okolje èlod~ne
sluznice, kjer povzro~a nastanek èlod~ne
razjede in je med poglavitnimi povzro~itelji raka
na dvanajstniku in èlodcu. V Sloveniji letno
nale, in addition to the Slovenian team,
Harward, Caltech, UC Berkeley, Freiburg and
Taiwan University NYMU. After the final performance jury from world most eminent universities and biotechnological and pharmaceutical companies selected the best projects. First
place won Slovenia, second Freiburg and third
Caltech. Slovenian team had won the Grand
Prize already two years ago, while in 2007 it
was first in the field of Medicine. The Slovenian
team was the most successful among all, since
in three competitions it was always among the
finalists.
At the iGEM competition participate student
teams, which guided by their mentors during
the summer prepare and conduct a research
project in the area of synthetic biology. The
project involve a lot of demanding experimental work. The leader of the team, Prof. Jerala
says: “At the recent meeting on the future of
synthetic biology, organized by Welcome Trust,
the leading researchers in the field determined
that the largest number of innovations in the
filed of synthetic biology in the last years came
from the iGEM competition.”
“I knew that we prepared an excellent project,
especially in the given short period, however, I
did not expect such high ranking." said one of
the mentors, Prof. Simon Horvat from the
Biotechnical Faculty. Memebres of the team
intensively worked on the project for more than
four months, from June to beginning of
Novemeber 2008. At the competition, the
project was excellently presented by Jan
Lonzari} the student of biochemistry at the Faculty of Chemistry and Chemical Technology,
while all the members of the team participated
in the preparation of the presentation, which
is accessible also at the web site http://
2008.igem.org/Team:Slovenia. " I think, that the
students convinced the jury by their souvereign
explanation of results, and also the aim and
the theoretical background of the project”, says
one of the mentors Nina Pirher.
Description of the project:
159
zaradi raka na èlodcu zboli okrog 500 ljudi.
Pozno odkritje te vrste raka je povezano z zelo
nizko stopnjo preìvetja. S to bakterijo je,
odvisno od podro~ja, okuènih od 20 do 90%
ljudi na svetu. Oku`bo se lahko pozdravi z
dolgotrajno kombinirano terapijo z antibiotiki,
vendar ta ne prepre~i ponovne oku`be. V
deèlah, kjer je visoka pogostost te vrste raka
se v novej{em ~asu odlo~ajo za sistematsko
eradikacijo bakterije pri okuènih posameznikih
in njihovih druìnskih ~lanih. Najprimernej{e
zdravilo bi bilo cepivo, vendar u~inkovitega
cepiva danes {e ne poznamo, saj se je ta
bakterija v ve~-stotiso~letnem soobstoju s
~lovekom nau~ila zaobiti prepoznavanje
imunskega sistema.
Izdelave cepiva so se lotili na ve~ izvirnih
na~inov. “Poglavitna zamisel na{ega projekta
The research project of the Slovenian team was
aimed to the preparation of the high-tech vaccine against the bacterium Helicobacter pylori.
This bacterium dwells in the very unpleasant
environment of stomach mucosa where it leads
to formation of stomach ulcer and is among
the key causes of duodenal and stomach cancers. Annually, in Slovenia there are around 500
new cases of stomach cancer. Late discovery of
this type of cancer is connected with the very
low survival rate. With this bacterium worldwide from 20 to 90% of the population is infected, depending on the region. The infection
can be healed with a long-term combined antibiotic therapy, however, this does not prevent
re-infection. In countries where this type of
cancer is very frequent eradication of the bacterium in infected patients and their family
SLIKA 3:
Slovenska ekipa pred odrom Kresge avditorija na MIT,
kjer je potekalo finale ter podelitev odli~ij. V zgornji
FIGURE 3:
Slovenian team on the stage of Kresge auditorium at
MIT, where the finale of the iGEM competition and
vrsti: Vid Ko~ar, Anè Smole, Ana Lasi~, Jan Lonzari},
Karolina Ivi~ak; spodaj: Roman Jerala, Nina Pirher,
Jerneja Mori, Katja Kolar, Simon Horvat, Eva êh.
prize award took place. Upper row: Vid Ko~ar, Anè
Smole, Ana Lasi~, Jan Lonzari}, Karolina Ivi~ak; lower
row: Roman Jerala, Nina Pirher, Jerneja Mori, Katja
Kolar, Simon Horvat, Eva êh.
160
je bila, da isto~asno aktiviramo obe veji
imunskega sistema in bakterijo napademo
preko dveh poti”, razlaga Anè Smole, {tudent
biotehnologije Biotehni{ke fakultete. Pri delu so
jim z izku{njami pomagali tudi sodelavci
In{tituta za mikrobiologijo in imunologijo ter
Onkolo{kega in{tituta Medicinske fakultete.
“Zastavili smo si zelo ambiciozen na~rt, {e
posebej za tako kratek ~as, saj smo testirali
veliko novih zamisli. Sedaj lahko pokaèmo
dejansko tvorbo protiteles proti cepivu v
organizmu in prepoznavanje bakterij”, so
navdu{eni {tudenti. Mentorji opozarjajo, da bo
potrebnih {e precej testiranj preden lahko
ra~unamo na terapevtsko uporabo cepiva,
vendar so rezultati projekta odli~na popotnica
za nadaljnji razvoj. "Izkoristili smo na{e
poznavanje mehanizmov imunskega odziva in
na ta na~in dosegli, da sestavine te bakterije
postanejo vidne za imunski sistem", pravi
mentorica Karolina Ivi~ak, ki na Kemijskem
in{titutu kot mlada raziskovalka sicer opravlja
doktorat na sorodnem podro~ju.
Vodja projekta prof. Roman Jerala iz Laboratorija za biotehnologijo Kemijskega in{tituta,
Ljubljana in Fakultete za kemijo in kemijsko
tehnologijo pravi: “To tekmovanje izkori{~amo
tudi za testiranje novih idej, ki odstopajo od
obi~ajnih pristopov, predvsem pa je na{ namen
omogo~iti motiviranim in nadarjenim {tudentom izku{njo dela na pravem raziskovalnem
projektu. Ob tem se spoznajo z raziskavami na
visokem znanstvenem nivoju, spoznajo {tevilne
sodobne eksperimentalne metode, lahko se
merijo z najbolj{imi na svetu, po drugi strani
pa so pod velikim ~asovnim pritiskom in
spoznajo, da tak projekt zahteva timsko delo.
Za leto{nje sodelovanje na tekmovanju smo se
odlo~ili dokaj pozno, ker nismo vedeli, ~e bomo
uspeli zbrati dovolj sredstev za udele`bo. Zeleno
lu~ je pomenila odlo~itev agencije AdFutura, da
bodo objavili razpis za kritje stro{kov {tudentov
na mednarodnih tekmovanjih, iz katerega
ra~unamo na kritje slabe polovice stro{kov.
Hvale`ni smo tudi sponzorjem, ki nas podpirajo,
{e posebej Kemomedu, Leku in Krki ter v prvi
members is used as the treatment method. The
most suitable medicine would be a vaccine,
however an efficient vaccine is not known yet,
since the bacterium in thousands of years of
coexistence with the man learned to circumvent the recognition by the human immune
system.
The students undertook the preparation of the
vaccine using many original ways. "The main
idea of the project was a simultaneous activation of both branches of the immune system
and the attack of the bacterium via two ways",
comments Anè Smole, a student of biotechnology at the Biotechnical Faculty. Employees
of the Institute of Microbiology and Immunology, as well as of the Institute of Oncology at
the Faculty of Medicine supported the students
with their experiences. "We undertook a very
ambitious plan especially for a given short period since we tested many new ideas. Now, we
are able to show a real formation of antibodies
against the vaccine in the body and recognition of the bacterium", are enthusiastic the students. The mentors are warning that many tests
will be necessary before we can count on the
therapeutic use of the vaccine; however, the
results of the project are an excellent base for
further development. “We exploited our knowledge of mechanisms of the immune response
and in such a way we achieved that the components of this bacterium get visible for the
immune system”, says one of the mentors
Karolina Ivi~ak, who has the position of a young
researcher at the National Institute of Chemistry where she prepares her PhD thesis in a similar subject.
The project leader Prof. Roman Jerala, Head of
the Laboratory of Biotechnology at the National
Institute of Chemistry in Ljubljana and professor at the Faculty of Chemistry and Chemical
Technology says:”This competition we exploit
also for testing new ideas, that differ from the
usual approaches and our aim is to enable the
motivated and talented students an experience
of work on a real research project. In such a
way they get acquainted with the research on
161
vrsti Kemijskemu in{titutu ter Univerzi v
Ljubljani. Na{ prora~un je kljub vsemu le tretjina
prora~una ekipe Univerze v Heidelbergu, ki se
je pohvalila, da z zbiranjem sredstev ni imela
teàv.”
Na osnovi rezultatov projekta so na Kemijskem
in{titutu è vloìli dve patenti prijavi za pripravo
cepiva. “Obi~ajno bi si sicer vzeli ve~ ~asa za
pripravo patentne vloge, vendar zaradi rokov
tekmovanja enostavno nismo imeli izbire", pravi
mentorica dr. Mojca Ben~ina, ki sicer vodi
komisijo za izume in inovacije na Kemijskem
in{titutu.
Slovensko ekipo so sestavljali: Vid Ko~ar, Katja
Kolar, Jan Lonzari} ({tudenti biokemije, FKKT),
Eva êh, Anè Smole ({tudenta biotehnologije,
BF), Jerneja Mori ({tudentka mikrobiologije, BF)
in Ana Lasi~ ({tudentka medicine, MF) ter
mentorji dr. Mojca Ben~ina, Monika Cigli~,
Karolina Ivi~ak, Nina Pirher (Kemijski in{titut),
prof. Simon Horvat (BF) ter vodja ekipe prof.
Roman Jerala (Kemijski in{titut ter FKKT).
a high scientific level, with many modern experimental methods, they can compete with
the best student teams in the world and on the
other hand they are under high time stress and
they realise that such a project demands team
work. For participation in the competition this
year we made our decision relatively late, since
we did not know whether we could collect
enough means for the participation. The green
light represented the decision of the agency
AdFutura to publish a call for financing the student participation at international competitions,
which enabled covering about a half of the expenses. We are grateful to the sponsors who
are supporting us, especially to Kemomed, Lek,
and Krka, and especially to National Institute
of Chemistry and University of Ljubljana. Our
budget is only one third of that spent by the
team from University of Heidelberg who declared to have no problems with collection of
financial means.”
Based on the results, National Institute of Chemistry already prepared two patent applications
for the production of the vaccine. “Usually, we
would take more time for preparation of the
SLIKA 4:
Sinteti~na cepiva na osnovi himernega flagelina proti
bakteriji, ki povzro~a raka na èlodcu, je ekipa
FIGURE 4:
Synthetic vaccines, based on chimeric flagellin, against
the bacterium which causes stomach cancer were
pripravila v treh razli~nih oblikah.
prepared by the student in three different forms.
162
patent application, however, due to deadline
for the competition we did not have any
choice”, says one of the mentors Mojca Ben~ina,
who chairs the commission for inventions and
innovations at the Institute.
The members of the Slovenian team were: Vid
Ko~ar, Katja Kolar, Jan Lonzari} (students of biochemistry at the Faculty of Chemistry and
Chemical Technology), Eva êh, Anè Smole
(students of biotechnology at the Biotechnical
Faculty), Jerneja Mori (a student of microbiology at the Biotechnical Faculty) and Ana Lasi~
(a student of medicine at the Faculty of Medicine) and mentors Dr. Mojca Ben~ina, Monika
Cigli~, Karolina Ivi~ak, Nina Pirher (National Institute of Chemistry), Prof. Simon Horvat
(Biotechnical Faculty) and team leader Prof.
Roman Jerala (National Institute of Chemistry
and Faculty of Chemistry and Chemical Technology).
163
164
Laboratorij za katalizo in reakcijsko inènirstvo
Laboratory for Catalysis and Chemical Reaction Engineering
L13
Laboratorij za katalizo in
reakcijsko inènirstvo
Laboratory for Catalysis and
Chemical Reaction Engineering
dr. Jurkica Batista
dr. Gorazd Ber~i~
dr. Stanko Ho~evar
dr. Albin Pintar
dr. Marko [etinc
YOUNG RESEARCHERS
Petar Djinovi}
David Perko (od / from 01.10.08)
STROKOVNI SODELAVCI
Nejc Hodnik (od / from 15.5.08)
VODJA / HEAD
akademik prof. dr. Janez Levec
Ur{ka Kau~i~
Sa{ka Javornik
Ur{ka Kocjan (6.10.08 - 6.12.08)
165
PODRO^JA DEJAVNOSTI
[tudij kemijskih pretvorb razli~nih izhodnih
spojin v èlene produkte v homogenih in
heterogenih kataliziranih ali nekataliziranih
sistemih. Teoreti~na dolo~itev termodinamskih
mo`nosti za potek pretvorb in eksperimentalna
dolo~itev kineti~nih parametrov poteka teh
pretvorb. Ker v praksi ve~ina fizikalnih in
kemijskih pretvorb poteka v ve~faznih sistemih,
je velik del raziskav namenjenih {tudiju interakcij
kemijske kinetike s transportnimi pojavi.
Raziskave potekajo s poudarkom na:
- oksidaciji organskih polutantov v trifaznih
reaktorskih sistemih v prisotnosti katalizatorjev, nanesenih na TiO 2 delcih ali
ogljikovih nanocevkah;
- optimizaciji hidrodinamskih pogojev obratovanja eno- in ve~cevnih membranskih
kontaktorjev;
- interpretaciji eksperimentalnih meritev na
podlagi matemati~nega modeliranja in
optimizacije parametrov;
- kineti~nim in mehanisti~nim {tudijam
heterogeno kataliziranih reakcij z in-situ FTIR/
ATR in DRIFTS metodo;
- {tudiju kinetike in mehanizmov kataliziranih
reakcij v procesih proizvodnje in ~i{~enja
166
RESEARCH ACTIVITIES
Study of the chemical transformation of reactants to desirable products in homogeneous
and heterogeneous catalytic or non-catalytic
systems. Theoretical determination of thermodynamic possibility for certain transformation
and experimental determination of kinetic parameters for these transformations. In practice
most physical and chemical transformations
occur in the multiphase systems, therefore research efforts are focused on the study of the
interaction between intrinsic kinetics and transport phenomena. The emphasis of the research
is put on:
- oxidation of organic pollutants in three-phase
reactor systems in the presence of catalysts
supported on TiO 2 particles or carbon
nanotubes;
- optimization of process hydrodynamic conditions in single- and multi-channel membrane contactors;
- interpretation of experimental data through
mathematical modelling and optimization of
parameters;
- kinetic and mechanistic studies of heterogeneously catalyzed reactions with in-situ FTIR/
ATR and DRIFTS method;
vodika ter na~rtovanju kompaktnega procesorja za proizvodnjo vodika iz primarnih goriv
(fosilnih in obnovljivih) za PEM gorivne celice;
- sintezi ter strukturni in elektrokemi~ni
karakterizaciji novih anodnih katalizatorjev,
odpornih na CO, za uporabo v PEM gorivnih
celicah;
- strukturni in elektrokemi~ni karakterizaciji
novih katodnih katalizatorjev z nizko
vsebnostjo Pt za uporabo v PEM gorivnih
celicah;
- sintezi ter strukturni elektrokemi~ni karakterizaciji nanokompozitnih protonsko
prevodnih polimernih membran za PEM
gorivne celice.
BIBLIOGRAFIJA
4 izvirni znanstveni ~lanki
konferencah
1 objavljeni povzetek strokovnega prispevka na konferenci
1 elaborat, pred{tudija, {tudija
2 diplomi
4 uredni{tva revij
- V okviru projektov APOLLON-B (6. OP EU) in
HyMIV (CRP projekt »Znanje za mir«) smo
skupaj s kolegi iz L10 sintetizirali PtCu/C
elektrokatalizator za katodno reakcijo
redukcije kisika za nizkotemperaturne PEM
gorivne celice. Masna aktivnost tega katalizatorja je nekajkrat (3-6 krat) aktivnej{a od
obstoje~ih industrijskih katalizatorjev ob
dvakrat ni`ji vsebnosti Pt v katalizatorju.
- Objavili smo poglavje (S. Ho~evar, W. Summers, »Hydrogen Production«) v knjigi »Hydrogen Technology: Mobile and Portable
Applications« (A. Leon, ur.), Springer-Verlag,
Berlin Heidelberg, 2008 ¢COBISS.SI-ID
3977242¥.
- study of kinetics and mechanisms of catalyzed reactions in the hydrogen production
and cleaning processes; design of compact
processor for hydrogen production from primary sources (fossil and renewable) for PEM
fuel cells;
- synthesis, structural and electrochemical characterization of new CO-tolerant anode catalysts for PEM fuel cells;
- structural and electrochemical characterization of new cathode catalysts with low Pt
content for PEM fuel cells;
- synthesis, structural and electrochemical characterization of proton conducting nanocomposite polymer membrane for PEM fuel
cells.
BIBLIOGRAPHY
in a Monograph
Contribution Abstract
1 Treatise, Preliminary Study, Study
- In the framework of two projects, APOLLONB (6 FP EU) and HyMIV (Targeted Research
Program »Knowledge for Peace«) together
with laboratory L10 we have synthesized a
PtCu/C electrocatalyst for cathode reaction
of oxygen reduction in low-temperature PEM
fuel cells and determined its electrocatalytic
activity. The mass activity of this catalyst is 36 times higher than that of the existing industrial electrocatalysts at two times lower
Pt content.
- S. Ho~evar (with W. Summers) published a
167
- S preu~evanjem procesa katalitske mokre
oksidacije (CWAO) aromatskih in alifatskih
organskih onesnaèval v vodnih raztopinah
smo pokazali, da uporabljeni Ru/TiO 2
katalizatorji zagotavljajo visoko aktivnost za
destruktivno pretvorbo modelnih spojin v
ogljikov dioksid in vodo. Ti katalizatorji so
kemijsko stabilni pri hidrotermalnih pogojih
CWAO procesa, zato omogo~ajo dolgotrajno
obratovanje kontinuirnih reaktorskih sistemov
¢COBISS.SI-ID 3942682¥.
chapter »Hydrogen Production« in the book
»Hydrogen Technology: Mobile and Portable
Applications« (A. Leon, Ed.), Springer-Verlag,
Berlin Heidelberg, 2008 ¢COBISS.SI-ID
3977242¥.
- We have demonstrated that Ru/TiO2 catalysts
are hydrothermally stable and highly active
in the catalytic wet air oxidation (CWAO) of
aromatic and aliphatic pollutants in water
solutions. Consequently, they are suitable for
long-term use in continuous reactor systems
- Postavili smo pilotni reaktor za izvajanje
avtotermi~nega reforminga teko~ih goriv
(metanol, etanol, i-oktan, dizel, ...), ki so
najprimernej{a za proizvodnjo vodika za
napajanje gorivnih celic v mobilnih sistemih
za proizvodnjo elektri~ne energije. Autotermi~ni reformer je ra~unalni{ko voden in lahko
obratuje v temperaturnem obmo~ju od 200
do 1300 oC ¢COBISS.SI-ID 3800090¥.
- A pilot reactor for liquid fuel (methanol, ethanol, i-octane, diesel) autothermal reforming
was designed and constructed. The reactor
produces hydrogen for fuel cells in mobile
systems. The autothermal reformer is computer guided and it can work in the tempera-
SLIKA 1:
FIGURE 1:
Kontinuirni reaktorski sistem (PID Eng&Tech) za
preu~evanje aktivnosti in selektivnosti heterogenih
katalizatorjev v ve~faznih reakcijah, povezan z GC/
Continuous-flow reactor system (PID Eng&Tech) for
activity and selectivity tests of heterogeneous catalysts in multiphase reactions, equipped with a GC/
MS sistemom (Agilent) za kvalitativno in kvantitativno
analizo prod 2020 MP/C).
MS system (Agilent) for qualitative and quantitative
analysis of reaction products.
168
- Razvili smo nove na~ine sinteze in nana{anja
Cu/CeO 2 katalizatorjev v kanale zaprtih
mikroreaktorskih struktur. Ti mikroreaktorji so
narejeni bodisi iz Si rezin anodno bondiranih
s steklom (sodelovanje s Fakulteto za
elektrotehniko UL) bodisi iz ve~slojne LTCC
keramike (sodelovanje z Institutom Joèf Stefan in Hipot, d.d.) ¢COBISS.SI-ID 21703207¥.
- Z razli~nimi tehnikami smo sintetizirali
nanostrukturne Cu xCe 1-xO2-y katalizatorje,
preu~evali pogoje sinteze na njihovo strukturo, povr{inske lastnosti in morfologijo ter
dolo~ili kvantitativne strukturno-aktivnostne
odvisnosti v procesu sinteze vodnega plina
(water gas shift reaction, WGSR), vodenem v
pulzno obratujo~em reaktorju ¢COBISS.SI-ID
3972634¥.
ture range between 200 and 1300 0 C
- New syntheses and deposition procedures of
nanostructured Cu/CeO2 catalysts into closed
microchannel structures were developed. The
microchannel reactors are either etched in Si
wafers (in co-operation with Faculty of
Electroengineering, University of Ljubljana) or
made from multilayer LTCC ceramics (in cooperation wth Jozef Stefan Institute and
Hipot, d.d.) ¢COBISS.SI-ID 21703207¥.
- CuxCe1-xO2-y nanostructured catalysts were
synthesized and their structure, surface properties and morphology were studied. Structure-activity relationship in water gas shift
reaction (WGSR) were studied using pulse
reactor ¢COBISS.SI-ID 3972634¥.
SLIKA 2:
TEM posnetek KIT-6 SiO2 {ablone z visoko specifi~no
FIGURE 2:
TEM micrograph of KIT-6 silica template with a high
povr{ino in urejeno notranjo strukturo.
surface area and ordered internal structure.
169
DRUGIMI PARTNERJI
- Z Ministrstvom za obrambo RS (MORS) smo
sklenili pogodbo za izvedbo projekta s
podro~ja vodikovih tehnologij in gorivnih celic
({tev. pog. 631-48/2007-77), pri kateri
na Kemijskem in{titutu nastopa kot edini
izvajalec (nosilec projekta dr. Gorazd Ber~i~).
OTHER PARTNERS
- The work was performed under contract with
MoD RS (MORS) in the field of hydrogen and
fuel cells (CT 631-48/2007-77, PI Dr. Gorazd
Ber~i~). The Laboratory of Catalysis and
Chemical Reaction Engineering from National
Institute of Chemistry is the only contractor
for this project.
- Z Ministrstvom za obrambo RS (MORS) smo
sklenili pogodbo za izvedbo projekta s
podro~ja vodikovih tehnologij in gorivnih celic
({tev. pog. 631-48/2007-78), pri kateri
na Kemijskem in{titutu nastopa kot soizvajalec
skupaj z Institutom Joèf Stefan in podjetjem
HIPOT-RR raziskave in razvoj tehnologij in
sistemov, d.o.o. (nosilec na KI dr. Stanko
Ho~evar).
- The work was performed under contract with
MoD RS (MORS) in the field of hydrogen and
fuel cells (CT 631-48/2007-78, PI Dr. Stanko
Ho~evar), in which the Laboratory of Catalysis and Chemical Reaction Engineering from
National Institute of Chemistry is in partnership with Jozef Stefan Institute and company
HIPOT-R&D, Slovenia.
SLIKA 3:
SEM posnetek strukture povr{ine 100 nm filma
CuxCe1-xO2-y katalizatorja nanesenega na ITO steklo.
FIGURE 3:
SEM micrograph of surface structure of 100 nm
CuxCe1-xO2-y catalyst thin film deposited on ITO glass.
170
- »Polymer Electrolytes and Non Noble Metal
Electrocatalysts for High Temperature PEM
Fuel Cells« v okviru EU 6 FP programa »Integrating and Strengthening of European Research Area« STREP projekt NMP3-CT-2006033228 (Akronim: APOLLON-B). Projekt traja
od 1. 10. 06 do 1. 10. 09, koordinator
projekta na KI je dr. Stanko Ho~evar.
- »Polymer Electrolytes and Non Noble Metal
Electrocatalysts for High Temperature PEM
Fuel Cells« STREP Project in EU 6 FP »Integrating and strengthening of European Research Area«, NMP3-CT-2006-033228 (Acronym: APOLLON-B). Project lasts from
1.10.06 to 1.10.09; Project coordinator
within NIC is Dr. Stanko Ho~evar.
- ra~unalni{ko voden teko~inski kromatograf
(HP)
MAJOR EQUIPMENT
- HPLC + ChemStation (HP)
- ve~ plinskih kromatografov s TCD, FID in MS
detektorjem (Agilent)
- analizatorja vsebnosti ogljika v teko~ih in
trdnih vzorcih (Tekmar/Dohrmann)
- ve~ me{alnih {ar`nih, kapalnih in cevnih
reaktorjev s strnjenim slojem opremljenih s
sistemi za nadzor in zajemanje podatkov
- several GCs with TCD, FID and MS detector
(Agilent)
- TOC analyzers in liquid and solid samples
(Tekmar/Dohrmann)
- several batch CST, trickle-bed and fixed-bed
laboratory reactors with data acquisition and
control units
- 600 W sistem za testiranje gorivnih celic z
ra~unalni{kim vodenjem (HP VEE OneLab)
- 600 W fuel cell test station with HP VEE
OneLab software-based data acquisition and
control unit
SLIKA 4:
FIGURE 4:
TEM posnetek rutenijevih delcev, dispergiranih na
ogljikovih nanocevkah, ki se uporabljajo kot
katalizator v procesu mokre oksidacije.
TEM micrograph of ruthenium particles dispersed on
carbon nanotubes employed as s catalyst in wet air
oxidation.
171
- LabMax-ReactIR 1000 me{alni {ar`ni reaktor
s sistemom za IR analizo reakcije v realnem
~asu (Mettler Toledo)
- ra~unalni{ko vodeni sistem za dolo~evanje
teksturalnih in adsorpcijskih lastnosti katalizatorjev in trdnih materialov (Micromeritics,
model ASAP 2020)
- avtomatizirani sistem za karakterizacijo
heterogenih katalizatorjev (Micromeritics,
model Autochem II 2920)
- masni spektrometer (Pfeiffer Vacuum, model
Thermostar)
- ra~unalni{ko vodeni, kontinuirni reaktorski
sistem »Microactivity Reference« za {tudij
dvo- in trifaznih katalitskih reakcij pri
temperaturah do 750 stopinj Celzija in tlakih
do 100 bar (PID Eng&Tech, [panija)
V letu 2008 je bilo zaklju~eno magistrsko delo
g. Jureta Lebna pod naslovom »Correlation between national development indicators and the
implementation of a hydrogen economy in
Slovenia« (Master of Science in Environmental
Assesment and Management) na School of the
Built Environment and School of Life Sciences v
okviru Oxford Brookes University (GB) pri
katerem je bil dr. Stanko Ho~evar povabljen kot
delovni mentor (Advisor).
Dr. Michele Besson, Institut de recherches sur
la catalyse et l’environnement de Lyon (IRCELYON) 2, avenue Albert Einstein, FR-69626
Villeurbanne, Francija je imela 27.11.2008
in{titutsko predavanje pod naslovom »Application of catalysts for the processing of biomass
to fuels and chemicals«.
Dr. Helder Teixeira Gomes, Laboratório de
Catálise e Materiais (LCM), Laboratório
Associado LSRE/LCM Faculdade de Engenharia,
Universidade do Porto, Portugalska in / and
Instituto Politécnico de Bragança, Portugalska,
je imel predavanje z naslovom »Role of carbon
materials as catalysts in WAO processes«.
172
- LabMax-ReactIR 1000 reactor and real-time
reaction analysis system (Mettler Toledo)
- Computerized system for determintion of
textural and adsorption properties of catalysts and solid materials (Micromeritics, model
ASAP 2020)
- Automated system for heterogeneous catalysts characterization (Micromeritics, model
Autochem II 2920)
- Mass spectrometer (Pfeiffer Vacuum, model
Thermostar)
- Computerized continuous-flow rector system
»Microactivity Reference« for studies of twoand three-phase catalytic reactions at temperatures up to 750 degrees C and pressures
up to 100 bar (PID Eng&Tech, Spain)
Dr. Stanko Ho~evar was Supervisor of Mr. Jure
Leben Master of Science degree in Environmental Assesment and Management entitled »Correlation between national development indicators and the implementation of a hydrogen
economy in Slovenia« at the School of the Built
Environment and School of Life Sciences, Oxford Brookes University (GB).
On 27.11.2008 Dr. Michele Besson, Institut de
recherches sur la catalyse et l’environnement
de Lyon (IRCELYON) Villeurbanne, France delivered invited lecture entitled »Application of
catalysts for the processing of biomass to fuels
and chemicals«.
On 10.11.2008 Dr. Helder Teixeira Gomes,
Laboratório de Catálise e Materiais (LCM),
Laboratório Associado LSRE/LCM Faculdade de
Engenharia, Universidade do Porto, Portugal in
/ and Instituto Politécnico de Bragança, Portugal delivered a lecture entitled »Role of carbon
materials as catalysts in WAO processes«.
Laboratorij za procesno inènirstvo
Laboratory for Chemical Process Engineering
L14
doc. dr. Ljudmila Fele @ilnik
mag. Muharem Husi} (tudi vodja slu`be za
zdravje in varnost pri delu KI / also Officer for
occupational safety and health)
YOUNG RESEARCHERS
Mija Seùn, u.d.i. (od / from 1.10.2008)
VODJA / HEAD
prof. dr. Viktor Grilc
[pela Boì~
Bojan Robi~
Alma Jazbin{ek
173
PODRO^JA DEJAVNOSTI
- Raziskave in razvoj proizvodnih procesov za
nove izdelke in storitve, razvoj sodobnih
separacijskih tehnik, modeliranje in optimiranje delovanja kriti~nih procesnih elementov in naprav; odpravljanje ozkih grl
procesov; izdelava tehnolo{kih podlag za
nove ali inovirane procese; pove~evanje novih
proizvodnih postopkov iz laboratorijskega v
pilotno in poindustrijsko merilo, izvajanje
pilotnih poskusov, materialno-energetsko
bilanciranje in modeliranje procesov.
- Merjenje izbranih fizikalno-kemijskih lastnosti
~istih snovi, me{anic in materialov; modeliranje termodinamskih ravnoteìj ve~faznih
oz. ve~komponentnih sistemov v {ir{em
obsegu termodinamskih pogojev PTC (teko~eteko~e, teko~e-parno, teko~e-trdno) za
potrebe na~rtovanja teh operacij in naprav;
razvoj materialov z veliko povr{ino in
kontrolirano dinamiko raztapljanja v specifi~nih biolo{kih pogojih.
- Razvoj in integracija preventivnih ukrepov
varstva okolja v industrijske procese; razvoj
in uvajanje ~istih tehnologij v industrijsko
174
RESEARCH ACTIVITIES
Process research and development
- Research and development of new products
and their production processes, development
of scale-up methods for physical-chemical
processes and their application in process
development, process debottlenecking, process simulation and optimization, process-integrated environmental protection.
- Measurement of thermodynamic properties
(e.g. L-V, L-L and L-S equilibria) of various industrially important multicomponent mixtures in broad range of thermodynamic conditions PTS and their modelling by means of
advanced statistical methods; microparticle
formation of defined release properties.
- Contribution of a monograph chapter on
R&D in solubility problems of complex solidliquid mixtures: effect of various physicalchemical properties of a solute on properties
of saturated solution and final products, on
process flowsheet and control diagram. Many
typical industrial case problems and solutions
are given.
prakso kot temelja trajnostnega industrijskega razvoja; adaptacija obstoje~ih
procesov zahtevam BAT tehnologij po
direktivi IPPC oz. izdelava ocen skladnosti z
BAT; izdelava analiz ìvljenskega cikla
izdelkov/storitev (paket GABI-4).
- Razvoj postopkov za regeneracijo uporabnih
komponent iz odpadnih tokov; zapiranje
tehnolo{kih krogov in uvajanje regeneracijskih
/ recikla`nih postopkov; identifikacija,
karakterizacija in klasifikacija odpadkov ter
razvoj postopkov obdelave in kon~nega
ravnanja z neogibnimi industrijskimi in
drugimi odpadki.
Ekspertize in svetovanje
- Izdelava in revizija poro~il o vplivih proizvodnih procesov na okolje (pooblastilo MOP);
- Izdelava na~rtov za gospodarjenje z odpadki
in ocen odpadkov (pooblastilo MOP);
- Razvoj in izvajanje regeneracije ~istih
laboratorijskih in procesnih topil (dovoljenje
MOP);
- Nadzor na~rtovanja in delovanja elementov
iz aktivnega oglja za civilno za{~ito (pooblastilo MO).
BIBLIOGRAFIJA
3 izvirni znanstveni ~lanki
1 samostojni strokovni sestavek ali poglavje
v monografski publikaciji
konferencah
2 kon~ni poro~ili o rezultatih raziskav
7 elaboratov, pred{tudij, {tudij
4 izvedenska mnenja, arbitra`ne odlo~be
2 diplomi
1 doktorat
3 uredni{tva revij
- Izvajanje integriranega EU projekta BIOCOUP
v okviru FP6-2004-Energy 3 z naslovom: »Coprocessing of upgraded bio-liquids in standard refinery units« (sprejet v financiranje od
- Contribution of thermodynamic analysis to
a deodoration study of vegetable oil, as a
final step in its production process, by using
alternative statistical thermodynamic models for prediction of phase equlibria.
- Integration of pollution prevention and environmental protection measures in new or
existing industrial/infrastructural processes,
development of reclamation processes for
recyclable components from various waste
process streams.
- Development and implementation of methods and procedures for identification, classification and characterization of hazardous
wastes; research and development of pretreatment processes for difficult effluents and
hazardous wastes in order to minimize their
quantity or hazardness.
- National inventories and balances of critical
environmental contaminants, wastes and
emissions; life cycle assessment, identification and modelling of transport routes of
selected contaminants in the environment,
elaboration of environmental action programmes.
- Development of sustainable industrial processes, assessment of large industrial and environmental protection plants with respect
to BAT-requirements, according to IPPC and
VOC directives and BREF documents.
Experteese, consulting and service
- Environmental impact assessment studies; life
cycle analysis (upon authorisation);
- Waste management plans and waste assessment reports (upon authorisation);
- Small scale production of specialty chemicals,
reclamation of extra-pure laboratory solvents
from waste mixtures, neutralization of hazardous laboratory chemicals (upon permission).
BIBLIOGRAPHY
1 Independent Professional Component
Part in a Monograph
175
leta 2006 dalje); sodelovanje s projektinimi
partnerji in posredovanje rezultatov na ve~
delovnih sre~anjih projektnega sveta.
1
5
- Objava rezultatov sodelovanja v {tudiji
optimizacije procesa deodorizacije kot
kon~ne stopnje rafinacije jedilnega olja, z
ustrezno izbranim modelom za popis
termodinamskega ravnote`ja teko~ina-para
obravnavanega ve~komponentnega sistema.
2
7
4
2
1
3
- Objava oz. poro~anje rezultatov ve~ raziskav
na podro~ju varstva okolja: o onesnaènosti
Ljubljanskega polja z nelegalno odloènimi
odpadki, o predelavi odpadnih blat biolo{kih
~istilnih naprav in lo~eno zbranih komunalnih
odpadkov v bioplin ali trdno gorivo.
- Poglavje v monografiji, ki opisuje stanje in
razvoj sistemov za integrirano ravnanje z
odpadki v Sloveniji. Prispevek obravnava
pomen integriranega ravnanja tako glede na
vrsto odpadkov kot tudi na prispevni teritorij
in tehni~no-tehnolo{ke mo`nosti v komunalnem in industrijskem sektorju.
- Izgradnja visokotla~ne celice za merjenje
faznih ravnoteìj v okviru sodelovanja s firmo
Bayer-Technology Services, Leverkusen na
podro~ju visokotla~ne analizne tehnologije za
dolo~itev termodinamskih lastnosti materialov in sodelovanja z Univerzo Erlangen na
podro~ju tvorbe mikrodelcev v farmacevtske
namene z uporabo SCF-GAS tehnike za
kontrolirano spro{~anje zdravilnih u~inkovin.
- Dogradnja dràvnega informacijskega
sistema za podro~je odpadkov in izdelava
nacionalnih bilanc in trendov komunalnih,
nenevarnih in nevarnih odpadkov za l. 2007,
po dejavnostih, povzro~iteljih, vrstah odpadkov in na~inih ravnanja. Opaziti je nadaljnji
trend pove~anega nastajanja odpadkov in
nezadostnega ravnanja z njimi.
- Sodelovanje pri izdelavi tehnolo{kih podlag
za na~rtovanje postopkov za pridobivanje
vodika iz alternativnih, obnovljivih surovin za
potrebe dolgoro~ne oskrbe Slovenije z
vodikom za napredne na~ine izrabe, pred-
176
Other Educational Material
Published Scientific Conference Contributions
Final Research Reports
Treatises, Preliminary Studies, Studies
Expertises, Arbitration Decisions
Undergraduate Thesis
Doctoral Dissertation
Journal Editorships
RESULTS IN 2008
- Participation in the integrated EU FP6 project
»BIOCOUP« named «Energy 3: Co-processing of upgraded bio-liquids in standard refinery units«. The laboratory is engaged in
identification of optimal recovery and
fractionation strategies and technologies for
the production of discrete target compounds
from the bio-liquids and development of
technically and economically feasible isolation and fractionation technologies for target oxygenate compounds.
- Completion of the COST Action C18 project
on “Performance assessment of urban infrastructure services: The case of water supply,
wastewater and solid waste”, working group
WG3 – solid waste.
- Chapter in a monograph, presenting and
analysing the situation and development of
an integrated waste management system for
sewage sludge and similar biodegradable
waste in Slovenia. The contribution discusses
the importance of integrated approach for
compatible wastes on a broader participating teritory.
- Publishing of a paper on optimisation of the
vegetable oil deodorization process, as a final major step in the refining of an edible oil,
by using the appropriate thermodynamic
model to describe the multicomponent phase
equilibria.
- Completion of a high pressure view-cell for
determination of thermophysical properties
of materials and design of related synthesis
and separations (in cooperation with Bayer
vsem za gorivne celice (v okviru projekta SPEV
- Slovenija in prehod na ekonomijo vodika).
- Sodelovanje pri izdelavi tehnolo{kih podlag
za optimiranje novega industrijskega postopka za proizvodnjo ~iste fosforne kisline ìvilske
kvalitete ter ravnanja s procesnimi ostanki v
TKI Hrastnik (v okviru programa Centra
odli~nosti »Ekolo{ke tehnologije«).
DRUGIMI PARTNERJI
- TKI Hrastnik d.d., Hrastnik
- JUB d.d., Dol pri Ljubljani
- Agencija RS za okolje, Ministrstvo za okolje
in prostor
- JP Snaga, Ljubljana in JP Vodovod-kanalizacija, Ljubljana
Technology Services, Leverkusen); cooperation with University of Erlangen, Germany,
for microparticle formation of drugs by use
of SCF-GAS technique; drug release studies
in various environments.
- Upgrade and update of the national information system on waste generation: data
collection system for municipal, industrial,
construction/demolition and hazardous
wastes, generated during the year 2007 in
relevant sectors and waste types according
to NACE and EWC classification.
- Completion of an applied project on hydrogen supply from renewable sources, aiming
at safe and continual supply of hydrogen,
storage and utilisation in various advanced
energy production systems (e.g. stationary
and mobile fuel cells).
- Participation in the design of industrial solvent extraction plant for producion of pure
SLIKA:
3D pogled (CNRS IRCELYON) na fenolno podro~je
FIGURE:
3D view (CNRS IRCELYON) on the phenolic area of
vzorca z oznako NIC PMO 12-08, pridobljenega iz
bio-olja bora
the sample NIC PMO 12-08 from pine bio-oil.
177
- Integrirani EU projekt BIOCOUP v okviru FP62004-Energy 3 z naslovom: “Co-processing
of upgraded bio-liquids in standard refinery
units”: podprojekt SP4 “Production of Discrete Oxigenated Target Compounds” optimizacija separacijskih strategij ter razvoj
separacijskih tehnologij za izolacijo potencialnih frakcij in komponent.
phosporic acid and its salts (TKI Hrastnik
Chemical Industry, Slovenia); participation in
the research of restructuring process for the
Ljublajna waste management company (complex analysis of input streams); material/energy recovery of municipal waste by treatment and processing (Snaga Ljubljana,
Slovenia) etc.
- COST Action C18 “Performance assessment
of urban infrastructure services: The case of
water supply, wastewater and solid waste”,
delovna skupina WG3 (trdni odpadki) –
zaklju~ek pojekta.
COLLABORATION WITH COMPANIES AND
OTHER PARTNERS
- Pilot-plant experiments, process modelling
and optimization (non-catalytic chemical syntheses, component/phase separation, mixing
etc.), products upgrading, pollution prevention and waste minimisation studies (for
many prominent Slovene chemical factories
and other process industries); municipal
waste separation and treatment (for some
bigger municipal waste management companies).
Laboratorij za pilotne kemijske poskuse (300
m 2 ), opremljen z modularno opremo za
izvajanje reakcij in separacij najrazli~nej{ih
snovnih sistemov v pilotnem oz. polindustrijskem merilu do velikosti reaktorjev 250
litrov; s pripadajo~o infrastrukturo, merilnoregulacijsko opremo, ra~unalni{ko programsko
opremo za na~rtovanje procesov ter analizo in
obdelavo podatkov; razli~na oprema za
dolo~anje faznih ravnoteìj sistemov teko~ina para, teko~ina - teko~ina in teko~ina - trdno za
potrebe na~rtovanja postopkov destilacije,
rektifikacije, ekstrakcije, absorpcije, adsorpcije,
su{enja, kristalizacije ipd; programska oprema
za modeliranje in vodenje procesov (ASPEN+,
GaBI-4; PROCEDE ...).
Mentorstva:
- 2 zaklju~eni diplomski deli ter ve~ seminarskih
nalog na fakultetah ljubljanske univerze.
Habilitacije in dejavnosti:
- V. Grilc, izr. prof. za kemijsko in ekolo{ko
inènirstvo (Fakulteta za kemijo in kemijsko
tehnologijo, Univerza v Ljubljani). Pou~evanje:
Gospodarjenje z odpadnimi snovmi (Univerzitetni {tudij vodarstva in komunalnega
inènirstva, Fakulteta za gradbeni{tvo in
geodezijo, Univerza v Ljubljani); Ravnanje z
178
- National inventories and mass balances of
selected hazardous materials, environmental pollutants and wastes in order to prepare
national action plans in specific fields (Ministry for environment).
IMPORTANT INSTRUMENTS AND EQUIPMENT
Laboratory of 300 m2 area for pilot-scale experiments, equipped with large assortment of
modular units for carrying out chemical reactions, separations and mixing of broad range
of systems in batch (up to 300 litres), semibatch
and continuous mode of operation; supported
by corresponding infrastructure, measuring/
control equipment, personal and process computers & software; equipment for measurement
and modeling of thermodynamic equilibrium
of various combination of systems (liquid-vapour, liquid-liquid and liquid-solid), supporting
design and calculation of basic unit operations
(distillation, extraction, absorption, adsorption,
drying, crystallization etc.).
odpadki (FGG – Podiplomski {tudij komunalne smeri ter Univerza v Ljubljani Interdisciplinarni podiplomski {tudij varstva
okolja).
EDUCATION
Supervison of student projects:
- 2 BSc projects, several MSc projects in
progress
- L. Fele @ilnik, docentka za podro~je kemijskega inènirstva (Fakulteta za kemijo in
kemijsko tehnologijo Univerze v Ljubljani).
Pou~evanje: Vodenje Praktikuma iz kemijskega inènirstva za 4. letnik (Katedra za
kemijsko, biokemijsko in ekolo{ko inènirstvo,
Fakulteta za kemijo in kemijsko tehnologijo,
Univerza v Ljubljani).
Assignments:
- V. Grilc: associate professor in chemical/environmental engineering
- L. Fele @ilnik: assistant professor in chemical
engineering
(both at University of Ljubljana, Slovenia, Faculty for chemistry and chemical technology, lecturing regularly or by invitation on various under- and postgraduate courses in chemical,
environmental and civil engineering).
179
Letno poro~ilo 2008
Annual report 2008
180
Nacionalni center za NMR spektroskopijo visoke lo~ljivosti - lokacija KI
National Centre for High Resolution NMR Spectroscopy - Location NIC
L15
Nacionalni center za NMR spektroskopijo
visoke lo~ljivosti - lokacija KI
National Centre for High Resolution
NMR Spectroscopy - Location NIC
dr. Igor Zhukov
dr. Primo` [ket
dr. Mirko Cevec
dr. Simona Goli~ Grdadolnik (delno / partly)
dr. Gregor Mali (delno / partly)
YOUNG RESEARCHERS
Peter Podbev{ek
Marko Trajkovski
VODJA / HEAD
prof. dr. Janez Plavec
Aleksandar Ga}e{a
Damjan Makuc
Gregor Ilc
Marjeta Kebri~ (delno / partly)
181
PODRO^JA DEJAVNOSTI
V program delovanja NMR centra za leto 2008
so bile vklju~ene NMR meritve in raziskave za
vse uporabnike, ki so le te potrebovali in
uporabljali pri svojem raziskovalnem in
razvojnem delu v okviru osnovnih in aplikativnih
raziskav in projektov za industrijo ali v industriji
sami. NMR center upravlja Programski svet v
182
RESEARCH ACTIVITIES
Slovenian NMR centre is a national facility open
to academic researchers and researchers from
industrial partners who co-financed the purchase of NMR spectrometers, as well as to the
third parties which require the use of high-field
high resolution NMR spectroscopy in solution
sestavi: prof. dr. Janez Dolin{ek (Institut Joèf
Stefan, predsednik), dr. Darko Kocjan (Lek,
namestnik predsednika), dr. Rok Zupet (Krka),
prof. dr. Ven~eslav Kau~i~ (KI), prof. dr. Roman
Jerala (KI), prof. dr. Daniel Kikelj (Fakulteta za
farmacijo UL), dr. Mitja Kocjan~i~ (Kmetijski
in{titut Slovenije), prof. dr. Branko Stanovnik
(Fakulteta za kemijo in kemijsko tehnologijo UL),
dr. Zoran [u{teri~ (Sava) in dr. Simona Goli~
Grdadolnik (MVZT).
Program dela NMR centra za leto 2008 je
obravnaval in potrdil Programski svet NMR centra. V letu 2008 je delo NMR centra potekalo v
okviru preko 62 programov in projektov.
Raziskave v okviru NMR centra so v letu 2008
izvajali raziskovalci naslednjih doma~ih institucij,
ki so soustanoviteljice in sovlagateljice v nakup
instrumentov NMR centra: KI, IJS, Fakulteta za
farmacijo UL, Fakulteta za kemijo in kemijsko
tehnologijo UL in Kmetijski in{titut Slovenije. V
zadnjih nekaj letih smo sodelovanje NMR centra na KI raz{irili na uporabnike z NUKa, In{tituta
za hmeljarstvo in pivovarstvo Slovenije,
Naravoslovno-tehni~ne, Biotehni{ke in Medicinske fakultete Univerze v Ljubljani ter
Politehnike iz Nove Gorice. Instrumenti so na
razpolago vsem ustanovam in podjetjem, ki jih
potrebujejo pri svojem delu. Podjetja Lek, Krka
in Helios jih kot sovlagatelji pri nakupu osnovne
opreme NMR centra uporabljajo pri rutinski
analitiki in v okviru svojega raziskovalnorazvojnega dela. V letu 2008 so instrumente v
okviru NMR centra na KI uporabljali tudi
raziskovalci iz podjetij Melamin, Pliva in TKK.
Raziskave v NMR centru so obsegale:
- {tudij struktur oligomernih fragmentov
nukleinskih kislin ter konformacijskih sprememb gradnikov DNK ob interakciji s
kovinskimi ioni,
- {tudij struktur in dinamike proteinov, zvijanja
proteinov in molekularnih interakcij peptidov
z lipopolisaharidi,
- {tudij interakcij med ligandi in receptorjem,
- {tudij struktur in dinamike antibiotikov v
povezavi z njihovim biolo{kim u~inkom,
or solid state in their research. The research
program for 2008 comprised NMR studies and
measurements for academic institutions and
researchers from industrial partners. Research
program of NMR centre includes data acquisition and interpretation for those who apply
NMR in their research as part of their research
and development projects in academic institutions or in industry itself. Annual research program is discussed and approved by the Scientific council of NMR centre. Current members
of the scientific council are: Prof. Dr. Janez
Dolin{ek (IJS, president), Dr. Darko Kocjan (Lek,
vice-president), Dr. Rok Zupet (Krka), Prof. Dr.
Ven~eslav Kau~i~ (NIC), Prof. Dr. Roman Jerala
(NIC), Prof. Dr. Daniel Kikelj (FP), Dr. Mitja
Kocjan~i~ (AIS), Prof. Dr. Branko Stanovnik
(FCCT), Dr. Zoran [u{teri~ (Sava), and Dr. Simona
Goli~ Grdadolnik (Ministry of Higher Education,
Science and Technology).
In 2008 the cooperation between various research groups and NMR centre at NIC involved
over 62 basic, applied and industrial projects
as well as international research projects. Research was conducted by the following academic institutions that are cofounders and
coinvestors into equipment of NMR centre:
National Institute of Chemistry, Institute Jozef
Stefan, Faculty of Pharmacy of University of
Ljubljana, Faculty of Chemistry and Chemical
Technology of University of Ljubljana and Agricultural Institute of Slovenia. In the last few
years cooperation of NMR centre at NIC has
been extended to National University Library,
The Slovenian Institute for Hops Research and
Brewing, Faculty of Natural Sciences and Engineering of University of Ljubljana, Faculty of
Biotechnology, Medicinal Faculty of University
of Ljubljana and University of Nova Gorica. NMR
spectrometers are available to all institutions
and companies which apply NMR spectroscopy
at their R&D. Companies Lek, Krka and Helios
use NMR spectrometers as analytical tool as well
as in their research and development projects.
In 2008 NMR centre offered services and help
to companies Melamin, Pliva and TKK.
183
- raziskave struktur in dinamike organskih
molekul, detekcija in karakterizacija reaktivnih
intermediatov pri reakcijah organskih in
organokovinskih spojin,
- {tudij naravnih produktov,
- {tudij sprememb v eritrocitih med bolezenskimi stanji,
- {tudij struktur in konformacijskih ravnoteìj
metabolitov v raztopini in v trdnem,
Research activities of NMR centre included studies of:
- structure of oligomeric nucleic acids fragments and conformational changes in DNA
upon interaction with metal ions,
- protein structure and dynamics, protein folding and molecular interactions of peptides
with lipopolysaharides,
- ligand-receptor interactions,
- dolo~anje neèlenih stranskih in razgradnih
produktov v zdravilih,
- structure and dynamics of antibiotics in relation with their biological role,
- karakterizacijo kemijskih struktur poroznih
materialov na fosfatni osnovi in strukturnih
sprememb v procesu hidrotermalne sinteze
zeolitov,
- structure and dynamics of organic molecules,
detection and characterization of reactive
intermediates in reactions of organic and
organometallic compounds,
- {tudij struktur in ~istosti polimernih materialov, vsebnosti stranskih produktov polimerizacije, mehanizmov polimerizacije, lastnosti
polimerov z na~rtovano makromolekularno
strukturo,
- natural products,
- dolo~anje kvalitete ter geografskega porekla
slovenskih vin.
Pomemben vidik delovanja NMR centra je
njegova izobraèvalna vloga. NMR center nudi
pomo~ pri snemanju in interpretaciji NMR
spektrov pri konkretnih strukturnih problemih
v okviru diplomskih del, magisterijev in
doktoratov.
BIBLIOGRAFIJA
1 objavljeni znanstveni prispevek na
2 predavanji na tujih univerzah
Raziskovalni dose`ki, ki so nastali v sodelovanju
NMR centra z raziskovalnimi laboratoriji in
skupinami {irom po Sloveniji so bili objavljeni v
preko 41 publikacijah v revijah z mednarodnim
recenzentskim sistemom (seznam je dostopen
184
- changes in erythrocytes during disease,
- structure and conformational equilibria of
metabolites in solution and in solid state,
- determination of byproducts in pharmaceuticals and their metabolites,
- structural characterization of phosphate
based porous materials and structural
changes in the process of hydrothermal synthesis of zeolites,
- structure and purity of polymers, byproducts
of polymerization, mechanisms of polymerization and properties of polymers with designed macromolecular structure,
- determination of authenticity, quality and
origin of Slovenian wines.
NMR centre plays important role in education
and training. NMR centre offers collection, and
interpretation of NMR spectra on specific structural problems that are part of bachelor, masters and doctoral thesis.
BIBLIOGRAPHY
na doma~i strani NMR centra na naslovu
www.nmr.ki.si). Precej{nje {tevilo teh dose`kov
je bilo objavljenih v revijah, ki segajo v vrh
znotraj posameznih podro~ij znanosti. Ti
dose`ki bodo posebej opisani med rezultati
posameznih laboratorijev na KI ali na drugih
in{titutih in fakultetah. Dose`ki sodelovanja
med NMR centrom in slovensko industrijo so
javno znani preko uspe{nega poslovnega
rezultata posameznega podjetja.
V letu 2008 je skupina vodje NMR centra
opravila strukturno {tudijo z gvanini bogatega
oligonukleotida d(G4T3G4). Soroden in eden od
najbolj {tudiranih G-kvadrupleksov d(G4T4G4)2
predstavlja eno in pol ponovitve telomernega
zaporedja organizma Oxytricha nova. Dobro je
znano, da tvori dimerni G-kvadrupleks d(G4T4G4)2 z diagonalnima T4 zankama v prisotnosti
K+, Na+ in 15NH4+ ionov. d(G4T3G4) predstavlja
sorodno zaporedje z enim timidinom manj.
Kristalografske {tudije so pokazale, da tvori t.i.
“head-to-tail” dimerni G-kvadrupleks v prisotnosti KCl. Nedavne {tudije so pokazale, da v
prisotnosti Na+ ionov v raztopini tvori asimet-
Scientific achievements, which are the result of
cooperation of NMR centre with laboratories
and groups around Slovenia were published in
over 41 publications in journals with international peer review evaluation procedure (complete list is available on NMR centre’s homepage at www.nmr.ki.si). Several of these publications were published in journals which are at
the top of the list within individual scientific
fields. These achievements will be specifically
described as results of individual laboratories
at NIC or other institutes or faculties. Results of
cooperation between NMR centre and Slovenian industry are publicly known only through
positive financial results of individual company.
In 2008 the group of head of NMR centre has
completed a structural study of guanine-rich
oligonucleotide d(G4T3G4). One of the most
studied G-quadruplexes, d(G4T4G4)2, is formed
by one-and-a-half units of the telomeric repeat sequence found in the protozoan
Oxytricha nova. It is well established that it
forms a bimolecular G-quadruplex with diago-
SLIKA 1:
Shematski prikaz dimernega G-kvadrupleksa
d(G4T3G4)2 in prostorske strukture T3 zanke. Gvaninski
FIGURE 1:
Schematic representation of d(G 4T 3G 4) 2 and 3D
strcuture of T3 loops. Guanine residues (colored in
preostanki (prikazani v modri in zeleni barvi) so
sestavni del {tirih G-kvartetov, med katerimi se
nahajajo tri vezavna mesta za amonijeve ione. Timidini
blue and green) are the building blocks of the four
G-quartets which define the three ammonium ion
binding sites between them. Thymidines (colored in
(prikazani v oran‘ni barvi) tvorijo robni zanki na
nasprotnih straneh kvadrupleksne sredice. Nalaganje
dveh timidinov na zunanji G-kvartet stabilizira
orange) form two edge-wise loops on the opposite
sides of G-quadrulex core. Base-base stacking of thymidine bases over the outer G-quartets stabilizes the
strukturo in jo naredi bolj togo, kar vodi upo~asnitve
izmenjave kationov.
structure and makes it more rigid, which leads to
slowing down of cation movement.
185
ri~no strukturo ali pa dve strukturi, ki sta v
ravnote`ju. Te polimorfne zna~ilnosti so nas
vzpodbudile, da z uporabo NMR spektroskopije
razi{~emo G-kvadrupleksne strukture, ki jih
d(G4T3G4) tvori v prisotnosti K+ in 15NH4+ ionov.
NMR meritve v raztopini so pokazale, da
d(G4T3G4) v prisotnosti 15NH4+ ionov tvori eno
samo dimerno G-kvadrupleksno strukturo, v
kateri so G-trakti v antiparalelni orientaciji, obe
T3 zanke pa povezujeta robove zunanjih Gkvartetov na razli~nih straneh G-kvadrupleksne
sredice. Ta topologija je podobna tisti, ki so jo
nedavno odkrili z X-àrkovno kristalografijo v
prisotnosti K+ ionov. V nasprotju d(G4T3G4) v
prisotnosti K+ ionov v raztopini tvori kompleksno zmes G-kvadrupleksnih struktur.
Molekularni modeli, osnovani na na{ih NMR
podatkih so pokazali, da se timidinske zanke v
raztopini v prisotnosti 15 NH 4+ ionov lepo
nalagajo na zunanje G-kvartete, kar prispeva k
stabilizaciji ene strukture. Uporaba heteronuklearne NMR spektroskopije je omogo~ila
lokalizacijo treh vezavnih mest za 15NH4+ ione
med pari sosednjih G-kvartetov in {tudij kinetike
njihove izmenjave. Kot izredno zanimivo se je
pokazalo, da pri 25 °C nismo opazili nikakr{ne
izmenjave 15NH4+ ionov znotraj G-kvadrupleksa.
Pri 35 °C smo opazili po~asno izmenjavo 15NH4+
ionov med zunanjimi vezavnimi mesti in
okoli{ko raztopino s karakteristi~nim reziden~nim ~asom 1.2 s. Po~asno izmenjavo
15
NH4+ ionov iz zunanjega vezavnega mesta v
okoli{ko raztopino in odsotnost izmenjave iz
notranjega vezavnega mesta smo pripisali
steri~nim oviram, ki jih predstavlja T3 zanka in
togosti G-kvadrupleksa. Razumevanje vloge
orientacije zank na hitrost izmenjave 15NH4+
ionov je pomembno za vpeljavo bolj splo{nih
pravil s kon~nim ciljem, da bi bili zmo`ni
napovedati katera zunanja vezavna mesta bodo
kazala hitrej{o izmenjavo kationov. To znanje
bo vodilo prizadevanja za pripravo sintetskih
ionskih kanalov na osnovi G-kvadrupleksnih
struktur. Rezultati te {tudije so bili objavljeni v
reviji J. Am. Chem. Soc. (2008, 130, 1428714293).
186
nal T4 loops in the presence of K+, Na+ and
15
NH4+ ions. d(G4T3G4), a closely related sequence with one less thymine residue, has been
shown by X-ray crystallography to form a headto-tail bimolecular G-quadruplex in the presence of KCl. Recent solution state NMR studies
suggested that the structure formed by
d(G4T3G4) in the presence of Na+ ions is asymmetric or that two G-quadruplexes coexist in
solution. The above polymorphic behavior
stimulated us to examine G-quadruplex structures formed by d(G4T3G4) in the presence of
K+ and 15NH4+ ions by NMR in solution. Solution state NMR study has shown that d(G4T3G4)
in the presence of 15NH4+ ions folds into a single bimolecular G-quadruplex structure in which
its G-tracts are antiparallel and the two T3 loops
span along the edges of the outer G-quartets
on the opposite sides of the G-quadruplex core.
This head-to-tail topology is in agreement with
the topology of the G-quadruplex recently
found in the X-ray crystal structure formed by
d(G4T3G4) in the presence of K+ ions. In contrast, the presence of K+ ions in solution resulted in a complex ensemble of G-quadruplex
structures. Molecular models based on NMR
data demonstrate that thymine loop residues
efficiently base-base stack on the outer G-quartets and in this way stabilize a single structure
in the presence of 15NH4+ ions. The use of
heteronuclear NMR enabled us to localize three
15
NH4+ ion binding sites between pairs of adjacent G-quartets and study kinetics of their
movement. Interestingly, no 15NH4+ ion movement within the G-quadruplex was detected at
25 °C. At 35 °C we were able to observe slow
movement of 15NH4+ ions from the outer binding sites to bulk solution with the characteristic residence lifetime of 1.2 s. The slow movement of 15NH4+ ions from the outer binding sites
into bulk solution and the absence of movement from the inner binding site were attributed to steric hindrance imposed by the T3 loops
and the rigidity of the G-quadruplex. An understanding of the influence of different loop
orientations on the rate of 15NH4+ ion move-
mikroRNK (miRNK) predstavljajo veliko skupino
majhnih RNK molekul, ki delujejo kot negativni
regulatorji genske ekspresije v evkariontih.
Regulirajo razli~ne biolo{ke procese od
~asovnega razvoja, diferenciacije, celi~ne
proliferacije do apoptoze. Bioinformatski
podatki kaèjo, da lahko vsaka miRNK kontrolira
ve~ sto genskih tar~, kar kaè na potencialni
vpliv miRNA na veliko genetskih poti. let-7
miRNK regulira heterokroni~ne gene v ~asovnem razvoju ~rva Caenorhabditis elegans. Na{li
pa so jo tudi pri ~loveku. Vezava miRNK na informacijsko-RNK (mRNA) in strukturne lastnosti
kompleksa so klju~ne za uti{anje genov. Dolo~ili
smo NMR strukturo modela, ki opona{a
interakcijo let-7 miRNK s komplementarnim
mestom (LCS 2) v 3’ neprepisani regiji (3’-UTR)
lin-41 mRNK. Strukturno {tudijo smo opravili z
NMR spektroskopijo ob uporabi NOE omejitev,
ment is important to establish more general
rules with the ultimate aim to predict which of
the outer cation binding sites will exhibit faster
ion movement. Such knowledge is expected to
guide future efforts to build synthetic ion channels based on G-quadruplex structures. The results of this study were published in J. Am.
Chem. Soc. (2008, 130, 14287-14293).
microRNAs (miRNAs) represent a large class of
small RNAs that function as negative gene regulators in eukaryotes. They regulate diverse biological processes such as developmental timing, differentiation, cell proliferation and
apoptosis. Bioinformatics data indicate that
each miRNA can control hundreds of gene targets, underscoring the potential influence of
miRNAs on many genetic pathways. let-7
miRNA regulates heterochronic genes in developmental timing of the nematode Caenor-
SLIKA 2:
FIGURE 2:
Stereo pogled na druìno 10 struktur 33-mernega
konstrukta med let-7 miRNK in lin-41 mRNK z najni`jo
energijo. Sladkorno-fosfatni skelet in citozinske baze
Stereo view of the family of 10 lowest energy structures of 33-nt let-7 miRNA and lin-41 mRNA construct. Sugar-phosphate backbone and cytosine bases
so obarvane modro, adenini so zeleni, uracili rde~i in
gvanini rumeni.
are colored in blue, adenine bases in green, uracil
bases in red and guanine bases in yellow.
187
omejitev torzijskih kotov in rezidualnih
sklopitvenih konstant. 33-merni RNK konstrukt
se je zvil v strukturo z dvema stebelnima
deloma, ki ju lo~i asimetri~na notranja zanka.
V enega od stebelnih delov je vklju~en G·U bazni
par, ki pa ne spremeni celokupne RNK konformacije A-tipa. Asimetri~na notranja zanka
tvori eno samo, dobro definirano strukturo, v
kateri trije uracilni preostanki tvorijo bazni triplet, dva adenina pa bazni par. Prostorska
struktura let-7 miRNK in lin-41 mRNK konstrukta je dala nove vpoglede na strukturne
aspekte interakcij med majhnimi nekodirajo~imi
RNK molekulami in ustreznimi mRNK. Na ta
na~in smo ocenili pomen notranjih zank in
nekanoni~nih baznih parov, ki jih pogosto
najdemo v miRNA:mRNA kompleksih, na
kontrolo genskega izraànja. Rezultati te {tudije
so bili objavljeni v reviji Nucl. Acids Res (2008,
36, 2330-2337).
DRUGIMI PARTNERJI
NMR center je infrastrukturni center, ki nudi
podporo naj{ir{emu krogu akademskih in
ostalih uporabnikov. Stiki so zelo intenzivni z
naslednjimi industrijskimi partnerji, ki so
sovlagatelji v opremo NMR centra:
- Helios d.d., Domàle.
Ostali uporabniki storitev NMR centra v letu
2008 so bili:
- Melamin, Ko~evje;
- Pliva, Zagreb;
- TKK, Serpenica.
Mednarodno sodelovanje NMR centra je
obse`no (seznam mednarodnih projektov je
dostopen na www.nmr.ki.si).
V okviru NMR centra na lokaciji Kemijski in{titut
so name{~eni slede~i NMR spektrometri visoke
lo~ljivosti:
188
habditis elegans. Binding of miRNA to messenger RNA (mRNA) and structural features of the
complex are crucial for gene silencing. We have
determined a NMR solution structure of a model
mimicking the interaction of let-7 miRNA with
its complementary site (LCS 2) in the 3’
untranslated region (3’-UTR) of the lin-41
mRNA. A structural study was performed by
NMR spectroscopy using NOE restraints, torsion angle restraints and residual dipolar couplings. The 33-nt RNA construct folds into a
stem-loop structure that features two stem regions which are separated by an asymmetric
internal loop. One of the stems comprises a G·U
wobble base pair, which does not alter its overall A-form RNA conformation. The asymmetric
internal loop adopts a single, well defined structure in which three uracils form a base triple,
while two adenines form a base pair. The 3D
structure of let-7 miRNA and lin-41 mRNA construct has given new insights into the structural aspects of interactions between a small
non-coding RNA molecule and respective
mRNA. In this way, a potential role of the internal loops and mismatch base pairs which are
frequently found in miRNA:mRNA complexes
involved in the regulation of gene expression
were evaluated. The results of this study were
published in Nucl. Acids Res. (2008, 36, 23302337).
OTHER PARTNERS
NMR centre plays a role of infrastructural facility and as such offers its support and expertise
in the field of NMR spectroscopy to all interested academic research institutions as well as
to commercial companies. The following industrial partners have participated in the purchase
of the equipment and are regular users of NMR
facility:
- Krka d.d., Novo mesto, Slovenia;
- Lek d.d., Ljubljana, Slovenia;
- Helios d.d., Domàle, Slovenia.
The other users of our services and expertise in
2008 were:
- Melamin, Ko~evje, Slovenia;
- Varian NMR systems 800;
- Pliva, Zagreb, Slovenia;
- TKK, Serpenica, Slovenia.
- Varian Unity Inova 300;
- Varian Unity Inova 300.
Zadnja velika posodobitev opreme je bila
izvedena s pomo~jo sredstev Evropskega sklada
za regionalni razvoj.
Pomemben vidik delovanja NMR centra je
njegova izobraèvalna vloga. NMR center nudi
pomo~ pri snemanju in interpretaciji NMR
spektrov pri konkretnih strukturnih problemih
v okviru diplomskih del, magisterijev in
doktoratov.
NMR centre is involved in extensive international collaboration. List of international
projects is available at www.nmr.ki.si.
MAJOR EQUIPMENT
Major equipment of NMR centre includes the
following high-resolution NMR spectrometers:
- Varian Unity Inova 300;
- Varian Unity Inova 300.
We are proud to note that the latest upgrade
of research equipment was made possible with
the financial support of European Regional
Development Funds.
Important aspect of NMR centre’s activity is its
role in educational role. NMR centre offers help
at collection and interpretation of NMR spectra on specific structural problems that are part
of B. Sc., M. Sc. and Ph. D. theses.
189
Letno poro~ilo 2008
Annual report 2008
190
Center za validacijske tehnologije in analitiko (CVTA)
Centre for Validation Technologies and Analytics (CVTA)
L16
Center za validacijske tehnologije in
analitiko (CVTA)
Centre for Validation Technologies and
Analytics (CVTA)
Sodelavci iz L06 – odgovorni nosilci nalog / associates from L06:
dr. Mirko Pro{ek (vodja podro~ja)
dr. Alenka Golc Wondra (vodja podro~ja)
dr. Andrej [midovnik
VODJA / HEAD
doc. dr. Janko @mitek (do 31.8.08 / till 31.8.08)
dr. Alenka Golc Wondra (vr{ilka dol`nosti od.
1.9.08,/ acting manager from 1.9.08)
OSEBJE / STAFF
Ana Andri} (porodni{ki dopust / maternity leave)
dr. Maja Gri~ar (od / since 1.6.08)
Katarina Jankovi~
Adolf Kra{na
Darija Lorber
Barbara Le~nik Spai}
Simona Lojevec
Katja Nediàvec (od / from 1.10.08)
Katja Ro`manc Babnik
191
PODRO^JA DEJAVNOSTI
CVTA na~rtuje in izvaja razvojno-analitske
storitve na podro~ju zdravil in prehrane; njegova
dejavnost obsega:
- razvoj HPLC, GC, TLC analiznih postopkov za
dolo~anje u~inkovin in ostankov u~inkovin,
RESEARCH ACTIVITIES
CVTA designs and perform the foolowing activities related to medicines and food:
- development of HPLC, GC, TLC, dissolution
testing and other analytical procedures,
- izvajanje postopkov za dolo~anje hitrosti
raztapljanja tablet in kapsul,
- analyses and analytical studies for quality
control of products, and validation of production and cleaning technologies,
- na~rtovanje in izvedbo HPLC, GC in TLC
validacij analiznih postopkov,
- bioanylitical studies of bioavailability and
bioequivalence,
- izvajanje analiz in analiznih {tudij za potrebe
kontrole kakovosti izdelkov ter validacij
proizvodnih tehnologij in tehnologij ~i{~enja
proizvodne opreme,
- validation of analytical methods and technologies,
- izvajanje analiz za {tudij biorazpolo`ljivosti
oz. bioekvivalentnosti zdravil,
Activities are performed according to GLP and/
or GMP standards.
- izdelava ekspertnih mnenj in svetovanja na
podro~ju dejavnosti.
Aktivnosti potekajo v skladu s standardi dobre
laboratorijske oz. dobre proizvodne prakse.
CVTA sledi nara{~ajo~im potrebam slovenske
farmacevtske in druge industrije po analitski
podpori razvojnim in proizvodnim projektom
ob zaostrovanju kakovostnih zahtev za izvajanje
192
- preparation of expert opinions and consulting.
CVTA follows the increasing needs of pharmaceutical industry for analytical support to their
R&D and production projects, combined with
sharpening requirements of quality standards.
All the activities were performed in tight collaboration with L06, which offered professional
support of its experts to CVTA.
Crucial achievements in the year 2008 are:
tak{nih del. Delo poteka v sodelovanju s
sodelavci Laboratorija za prehrambeno kemijo
(L06). Sodelovanje je vezano predvsem na
strokovno podporo in pomo~ pri izvajanju
zahtevnej{ih razvojnih nalog.
V l. 2008 smo za slovensko farmacevtsko
industrijo izvedli:
- razvoj ve~ analitskih postopkov (ve~ kot 10),
- validacije HPLC, GC in TLC analitskih postopkov (ve~ kot 40),
- Development of analytical methods (more
than 10),
- Validation of about 40 HPLC, GC in TLC analytical methods,
- Analyses for 10 active substances for process validations for tablets and capsules,
- Analyses for about 20 cleaning validations
(more than 500 samples),
- Analyses for several stability studies,
- analize za validacijo in kontrolo proizvodnih
tehnologij (ve~ kot 10 preparatov in u~inkovin),
- Analyses of residual solvents (OVI) in approximately 200 samples of pharmaceutical finished dosage forms,
- analize za validacije in kontrolo tehnologij
~i{~enja proizvodne opreme (ve~ kot 20
preparatov in u~inkovin),
- Analyses of different parameters of ca 800
other samples.
- analize v okviru stabilitetnih {tudij za ve~
preparatov,
- analize rezidualnih topil v surovinah in vzorcih
razli~nih preparatov,
- analize razli~nih parametrov aktivnih u~in-
SLIKA:
Oprema za tankoplastno kromatografijo (TLC) firme
All activities were performed according to GLP
and/or GMP standards.
OTHER PARTNERS
According to the goals CVTA has earned all incomes by activities on free market, for industrial partners, particularly Lek d.d., Ljubljana,
FIGURE:
System for Thin layer chromatoraphy, Camag
Camag
193
kovin v vzorcih za spro{~anju na doma~e in
tuje trì{~e (cca. 800 vzorcev).
Vsa dela so bila izvedena v skladu s standardi
dobre laboratorijske oz. dobre proizvodne
prakse.
DRUGIMI PARTNERJI
CVTA je v skladu s cilji vse prihodke v l. 2008
ustvaril z delom na trgu, prvenstveno za
farmacevtsko industrijo (Lek d.d., Ljubljana, ~lan
skupine Sandoz in Krka d.d., Novo Mesto).
[tirje HPLC sistemi, trije GC sistemi in sistem za
dolo~anje hitrosti raztapljanja ter TLC sistem
(skupaj z L06). Vsi instrumenti so validirani in
delujejo v skladu s principi dobre laboratorijske
prakse (GLP).
194
Slovenia, the member of Sandoz company, and
Krka d.d., Novo Mesto, Slovenia.
MAJOR EQUIPMENT
Four HPLC systems, three GC and TLC system,
as well as system for dissolution testing, all validated and operating according to GLP principles
Izbrana bibliografija v letu 2008
Selected Bibliography in Year 2008
L01
Laboratorij za molekularno modeliranje
in NMR spektroskopijo
Laboratory for Molecular Modelling and
NMR Spectroscopy
V celoti objavljeni ~lanki (znanstveni, strokovni, poljudni) / Full Text Articles
1.
BREN, Urban, KR@AN, Andrej, MAVRI, Janez. Microwave catalysis through rotationally hot
reactive species. J. Phys. Chem., A, Mol. Spectrosc. Kinet. Environ. Gen. Theory, 2008, vol.
112, no. 2, str. 166-171. ¢COBISS.SI-ID 3846938¥
2.
CARL, Nejc, KONC, Janez, JANE@I^, Du{anka. Protein surface conservation in binding sites. J.
Chem. Inf. Mod., 2008,vol. 48, issue 6, str. 1279-1286. ¢COBISS.SI-ID 3923482¥
3.
DELGADO-BUSCALIONI, Rafael, KREMER, Kurt, PRAPROTNIK, Matej. Concurrent triple-scale
simulation of molecular liquids. J. Chem. Phys., 2008, vol. 128, no. 11, str. 114110-1-1141109. ¢COBISS.SI-ID 3888922¥
4.
GALE[A, Katja, BREN, Urban, KRANJC, Agata, MAVRI, Janez. Carcinogenicity of acrylamide
: a computational study. J. Agric. Food Chem., 2008, vol. 56, no. 18, str. 8720-8727.
¢COBISS.SI-ID 3975962¥
5.
GRDADOLNIK, Joè, GOLI^ GRDADOLNIK, Simona, AVBELJ, Franc. Determination of
conformational preferences of dipeptides using vibrational spectroscopy. J. Phys. Chem., B,
Condens. Mater. Surf. Interfaces Biophys., 2008, vol. 112, no. 9, str. 2712-2718. ¢COBISS.SIID 3877146¥
6.
GROBELNIK, Barbara, GRDADOLNIK, Joè. Calculation of the absorption spectrum from an
ATR infrared experiment. Acta Chim. Slov., 2008, vol. 55, no. 4, str. 978-984. ¢COBISS.SI-ID
4076570¥
7.
HUMLJAN, Jan, KOTNIK, Miha, CONTRERAS-MARTEL, Carlos, BLANOT, Didider, URLEB, Uro{,
DESSEN, Andréa, [OLMAJER, Toma`, GOBEC, Stanislav. Novel naphthalene-N-sulfonyl-Dglutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme. J.
Med. Chem., 2008, vol. 51, no. 23, str. 7486-7494. ¢COBISS.SI-ID 4060698¥
195
8.
JUNGHANS, Christoph, PRAPROTNIK, Matej, KREMER, Kurt. Transport properties controlled
by a thermostat : an extended dissipative particle dynamics thermostat. Soft Matter., 2008,
vol. 4, no. 1, str. 156-161. ¢COBISS.SI-ID 3863322¥
9.
KOVA^, Andreja, KONC, Janez, VEHAR, Bla`, BOSTOCK, Julieanne M., CHOPRA, Ian, JANE@I^,
Du{anka, GOBEC, Stanislav. Discovery of new inhibitors of D-alanine:D-alanine ligase by
structure-based virtual screening. J. Med. Chem., 2008, vol. 51, no. 23, str. 7442-7448.
10. LEE, Yong-Sok, PIKE, Victor W., HODO[ÊK, Milan. Identification of the transition states in
the inversion of 1,4-benzodiazepines with the Ab initio replica path method. J. Phys. Chem.,
A, Mol. Spectrosc. Kinet. Environ. Gen. Theory, 2008, vol. 112, no. 7, str. 1604-1611.
11. LUI], Marija, [TEFANI], Zoran, CEILINGER, Igor, HODO[ÊK, Milan, JANE@I^, Du{anka, LENAC,
Tihana, LE[Î] A[LER, Ivana, [EPAC, Dragan, TOMI], Sanja. Combined X-ray diffraction and
QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification.
J. Phys. Chem., B, Condens. Mater. Surf. Interfaces Biophys., 2008, vol. 112, no. 16, str.
4876-4883. ¢COBISS.SI-ID 3898650¥
12. MANTZOURANI, Efthimia D., BLOKAR, Klemen, TSELIOS, Theodore V., MATSOUKAS, John,
PLATTS, James A., MAVROMOUSTAKOS, Thomas, GOLI^ GRDADOLNIK, Simona. A combined
NMR and molecular dynamics simulation study to determine the conformational properties
of agonists and antagonists against experimental autoimmune encephalomyelitis. Bioorg.
Med. Chem., 2008, vol. 16, no. 5, str. 2171-2182. ¢COBISS.SI-ID 3843610¥
13. MATYSIAK, Silvina, CLEMENTI, Cecilia, PRAPROTNIK, Matej, KREMER, Kurt, DELLE SITE, Luigi.
Modeling diffusive dynamics in adaptive resolution simulation of liquid water. J. Chem. Phys.,
2008, vol. 128, str. 024503-1-024503-12. ¢COBISS.SI-ID 3863578¥
14. MAVRI, Janez, LIU, Hanbin, OLSSON, Mats H. M., WARSHEL, Arieh. Simulation of tunneling
in enzyme catalysis by combining a biased propagation approach and the quantum classical
path method : application to lipoxygenase. J. Phys. Chem., B, Condens. Mater. Surf. Interfaces
Biophys., 2008, vol. 112, issue 19, str. 5950-5954. ¢COBISS.SI-ID 3835930¥
15. MILLER, Benjamin T., SINGH, Rishi P., KLAUDA, Jeffrey B., HODO[ÊK, Milan, BROOKS, Bernard
R., WOODCOCK, H. Lee. CHARMMing : a new, flexible web portal for CHARMM. J. Chem.
Inf. Mod., 2008, issue 9, vol. 4, str. 1920-1929. ¢COBISS.SI-ID 3983386¥
16. PETERNEL, [pela, GRDADOLNIK, Joè, GABERC-POREKAR, Vladka, KOMEL, Radovan.
Engineering inclusion bodies for non denaturing extraction of functional proteins. Microb.
Cell Fact., 2008, vol. 7, art. 34, str. 1-32. ¢COBISS.SI-ID 4060186¥
17. PICCOLI, Paula, KOETZLE, Thomas, SCHULTZ, Arthur, ZHUROVA, Elizabeth, STARE, Jernej,
PINKERTON, Alan, ECKERT, Jürgen, HAD@I, Du{an. Variable temperature neutron diffraction
and X-ray charge density studies of tetraacetylethane. J. Phys. Chem., A, Mol. Spectrosc.
Kinet. Environ. Gen. Theory, 2008, vol. 112, no.29, str. 6667-6677. ¢COBISS.SI-ID 3975706¥
196
18. PIRC, Gordana, STARE, Jernej. Titanium site preference problem in the TS-1 zeolite catalyst :
a periodic Hartree-Fock study. Acta Chim. Slov., 2008, vol. 55, no. 4, str. 951-959. ¢COBISS.SIID 4076826¥
19. PRAPROTNIK, Matej, DELLE SITE, Luigi, KREMER, Kurt. Multiscale simulation of soft matter :
from scale bridging to adaptive resolution. Annu. Rev. Phys. Chem., 2008, vol. 59, str. 545571. ¢COBISS.SI-ID 3863834¥
20. PRAPROTNIK, Matej, HOÊVAR, Stanko, HODO[ÊK, Milan, PENCA, Matej, JANE@I^, Du{anka.
New all-atom force field for molecular dynamics simulation of an AlPO4-34 molecular sieve.
J. Comput. Chem., 2008, vol. 29, no. 1, str. 122-129. ¢COBISS.SI-ID 3707418¥
21. PRAPROTNIK, Matej, JUNGHANS, Christoph, DELLE SITE, Luigi, KREMER, Kurt. Simulation
approaches to soft matter : generic statistical properties vs. chemical details. V: MARESCHAL,
Michel (ur.). Conference on computational physics 2007 : CCP 2007 : Brussels, Belgium, 0508 September 2007, (Comput. Phys. Commun., Vol. 179, Issues 1-3, 2008). Amsterdam:
North-Holland, 2008, str. 51-60. ¢COBISS.SI-ID 3878682¥
22. PUMPERNIK, Danilo, OBLAK, Borut Tone, BOR[TNIK, Branko. Replication slippage versus
point mutation rates in short tandem repeats of the human genome. Mol. Genet. Genomics,
2008, vol. 279, no. 1, str. 53-61. ¢COBISS.SI-ID 3808794¥
23. ROSALES, Tilman, XU, Jianhua, WU, Xiongwu, HODO[ÊK, Milan, CALLIS, Patrik, BROOKS,
Bernard R., KNUTSON, Jay R. Molecular dynamics simulations of perylene and tetracene
libration : comparison with femtosecond upconversion data. J. Phys. Chem., A, Mol. Spectrosc.
Kinet. Environ. Gen. Theory, 2008, vol. 112, no. 25, str. 5593-5597. ¢COBISS.SI-ID 4135962¥
24. STARE, Jernej, PANEK, Jaroslaw J., ECKERT, Jürgen, GRDADOLNIK, Joè, MAVRI, Janez, HAD@I,
Du{an. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid Noxide. A new computational approach and infrared, Raman and INS study. J. Phys. Chem.,
25. URBI^, Tja{a, URBI^, Toma`, AVBELJ, Franc, DILL, Ken A. Molecular simulations find stable
structures in fragments of protein G. Acta Chim. Slov., 2008, vol. 55, no. 2, str. 385-395.
26. ZEGA, Anamarija, SRÎ^, Stanko, MAVRI, Janez, BE[TER-ROGA^, Marija. Molecular
interactions of 1,4-dihydropyridine derivatives with selected organic solvents : a volumetric,
spectroscopic and computational study. J. Mol. Struct., 2008, vol. 875, issues 1/3, str. 354363. ¢COBISS.SI-ID 3741978¥
27. ZIDAR, Jernej, TRATAR-PIRC, Elizabeta, HODO[ÊK, Milan, BUKOVEC, Peter. Copper(II) ion
binding to cellular prion protein. J. Chem. Inf. Mod., 2008, vol. 48, no. 2, str. 283-287.
197
28. MLIN[EK, Gregor, FRIEDRICH, Reiner, [OLMAJER, Toma`. Thrombin inhibitors with novel
azaphenylalanine scaffolds and a new P1 binding pocket functionality : structural analysis of
binding. Acta Chim. Slov., 2008, vol. 55, no. 4, str. 739-751. ¢COBISS.SI-ID 4075290¥
V celoti objavljeni prispevki s konferenc / Full Text Conference Contributions
29. MINOVSKI, Nikola, VRA^KO, Marjan, [OLMAJER, Toma`. QSAR study of antitubercular agents.
V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2008,
Maribor, 25. in 26. september 2008 : ¢zbornik referatov¥. Maribor: Univerza v Mariboru,
Fakulteta za kemijo in kemijsko tehnologijo, 2008, str. 1-10. ¢COBISS.SI-ID 4022554¥
30. ROSINA, Mitja, OBLAK, Borut Tone. Imitating continuum in lattice models : ¢presented at
Mini-Workshop Few-Quark States and the Continuum, Bled, Slovenia, September 15-22,
2008¥. Blejska delavn. fiz., 2008, let. 9, {t. 1, str. 98-101. ¢COBISS.SI-ID 2144612¥
Monografije in sestavki v monografijah / Monographs and Contributions in Monographs
31. HODO[ÊK, Milan, JANE@I^, Du{anka. Uvod v ra~unalni{ko modeliranje makromolekul za
zahtevne uporabnike : u~no gradivo pri predmetu Ra~unalni{ko modeliranje biolo{kih
makromolekul univerzitetnega {tudija Biomedicina. Ljubljana: Kemijski in{titut, april 2008.
234 str., ilustr. ¢COBISS.SI-ID 3898138¥
Patenti in patentne prijave / Patents and Patent Applications
32. KOTNIK, Miha, OBLAK, Marko, [TEFANI^, Petra, PRE@ELJ, Andrej, HUMLJAN, Jan, PLANTAN,
Ivan, URLEB, Uro{, [OLMAJER, Toma` (avtor). 3-(benzo¢d¥¢1,3¥dioxol-5-ylmethyl)-4-(thio)oxo2-(thio)oxo-azolidin-5-ylidene derivatives as antibacterial agents : EP1916249 A1 : datum
objave 30.4.2008. ¢S. l.¥: European Patent Office, 2008. ¢COBISS.SI-ID 1339484¥
33. RE@ELJ, Andrej, URLEB, Uro{, [OLMAJER, Toma`. Antibacterial combination of a tricyclic
carbapenem and an antibiotic : international publication number WO 2008/098955 A3,
publication date 21 August 2008 : published also as EP1958630 A1, date of publication 20
August 2008. ¢S. l.¥: World Intellectual Property Organization, 2008. ¢COBISS.SI-ID 4059418¥
Doktorati, magisteriji in diplome / Ph.D., M.Sc. and B.Sc. Theses
34. KONC, Janez, Janeì~, Du{anka (mentor), Pe~ar, Slavko (komentor). Razvoj metod
molekularnega modeliranja za napovedovanje vezavnih mest na proteinih = Molecular
modeling methods development for protein binding sites prediction : doktorska disertacija.
Ljubljana: ¢J. Konc¥, 2008. 104 str., ilustr. ¢COBISS.SI-ID 3944986¥
Mentorstva / Mentorships
35. KONC, Janez, Janeì~, Du{anka (mentor), Pe~ar, Slavko (komentor). Razvoj metod
molekularnega modeliranja za napovedovanje vezavnih mest na proteinih = Molecular
198
modeling methods development for protein binding sites prediction : doktorska disertacija.
Ljubljana: ¢J. Konc¥, 2008. 104 str., ilustr. ¢COBISS.SI-ID 3944986¥
36. URBI^, Tja{a, Avbelj, Franc (mentor). Stabilnost fragmentov proteina G : doktorska disertacija.
Ljubljana: ¢T. Urbi~¥, 2008. VIII, 89 f., ilustr. ¢COBISS.SI-ID 29504773¥
37. VEHAR, Bla`, Gobec, Stanislav (mentor), Janeì~, Du{anka (komentor). Odkrivanje novih
inhibitorjev D-alanil-D-alanin ligaze z virtualnim re{etanjem = Discovery of new inhibitors of
D-alanyl-D-alanine ligase by virtual screening : diplomska naloga. Ljubljana: ¢B. Vehar¥, 2008.
56 str., ilustr. ¢COBISS.SI-ID 2296945¥
38. ZUPAN, Mateja, Plavec, Janez (mentor), Mavri, Janez (komentor). Izra~un reaktivnosti
kloroetilen oksida pri alkiliranju DNK : diplomsko delo. Ljubljana: ¢M. Zupan¥, 2008. 36 f.,
ilustr. ¢COBISS.SI-ID 3962906¥
Uredni{tva / Editorships
39. Journal of chemical information and modeling. Janeì~, Du{anka (urednik 2005-). Washington:
American Chemical Society, 2005-. ISSN 1549-9596. ¢COBISS.SI-ID 26533125¥
40. Acta chimica slovenica. Mavri, Janez (~lan uredni{kega odbora 2005-). Ljubljana: Slovensko
kemijsko dru{tvo = Slovenian Chemical Society, 1993-. ISSN 1318-0207. ¢COBISS.SI-ID
14086149¥
41. JANE@I^, Du{anka. Member of International editorial advisory board for the book series
Advances in chemoinformatics and computational methods (ACCM). Hershey ¢PA, USA¥: IGI
global, 2008-. ¢COBISS.SI-ID 3927322¥
199
200
L02
1.
SIMONÎ^, Barbara, ÊRNE, Lidija, TOM[I^, Brigita, OREL, Boris. Surface properties of cellulose
modified by imidazolidinone. Cellulose (Lond.), 2008, vol. 15, no. 1, str. 47-58. ¢COBISS.SIID 1879920¥
2.
AN@LOVAR, Alojz, CRNJAK OREL, Zorica, @IGON, Majda. Morphology and particle size of
di(ethylene glycol) mediated metallic copper nanoparticles. J. Nanosci. Nanotechnol., 2008,
3.
AN@LOVAR, Alojz, CRNJAK OREL, Zorica, @IGON, Majda. Nanocomposites with nano-tosub-micrometer size zinc oxide as an effective UV absorber. Polimeri (Zagreb), 2008, vol. 29,
no. 2, str. 84-87. ¢COBISS.SI-ID 4063770¥
4.
BITENC, Marko, MARIN[EK, Marjan, CRNJAK OREL, Zorica. Preparation and characterization
of zinc hydroxide carbonate and porous zinc oxide particles. J. Eur. Ceram. Soc., 2008, vol.
5.
DECKER, Franco, DONSANTI, Frederique, SALVI, Anna Maria, IBRIS, Neluta, CASTLE, James
E., MARTIN, Franz, ALAMARGUY, David, [URCA VUK, Angela, OREL, Boris, LOURENCO, Airton.
Li+ distribution into V2O5 films resulting from electrochemical intercalation reactions. V: XVI
Brazilian symposium of electrochemistry and electroanalytical chemistry : April 15 to 19,
2007, Aguas de Lindoia-SP, (J. Braz. Chem. Soc., vol. 19, no. 4, 2008). Sao Paolo: Brazilian
Chemical Society, 2008, str. 667-671. ¢COBISS.SI-ID 3948058¥
6.
HAUPTMAN, Nina, KLANJ[EK GUNDE, Marta, VESEL, Alenka, KUNAVER, Matja`. Spremembe
povr{ine pra{kastega premaza zaradi jedkanja s kisikovo plazmo. Vakuumist, 2008, let. 28,
{t. 1/2, str. 4-7. ¢COBISS.SI-ID 3961626¥
7.
HOÊVAR, Mateja, OPARA KRA[OVEC, Ur{a, BERGINC, Marko, DRA@I], Goran, HAUPTMAN,
Nina, TOPI^, Marko. Development of TiO2 pastes modified with Pechini sol-gel method for
201
high efficiency dye-sensitized solar cell. J. Sol-gel Sci. Technol., November 2008, vol. 48, no.
1/2, str. 156-162 ¢and¥ December 2008, vol. 48, no. 3, str. 384. ¢COBISS.SI-ID 6501972¥
8.
JAPELJ, Bo{tjan, [URCA VUK, Angela, OREL, Boris, SLEMENIK PER[E, Lidija, JERMAN, Ivan,
KOVA^, Janez. Preparation of a TiMEMO nanocomposite by the sol-gel method and its
application in coloured thickness insensitive spectrally selective (TISS) coatings. Sol. Energy
Mater. Sol. Cells, 2008, vol. 92, no. 9, str. 1149-1161. ¢COBISS.SI-ID 3955994¥
9.
JERMAN, Ivan, JOVANOVSKI, Vasko, [URCA VUK, Angela, HOÊVAR, Samo B., GABER[ÊK,
Miran, JESIH, Adolf, OREL, Boris. Ionic conductivity, infrared and Raman spectroscopic studies
of 1-methyl-3-propylimidazolium iodide ionic liquid with added iodine. Electrochim. Acta,
10. JERMAN, Ivan, [URCA VUK, Angela, KO@ELJ, Matja`, OREL, Boris, KOVA^, Janez. A structural
and corrosion study of triethoxysilyl functionalized POSS coatings on AA 2024 alloy. Langmuir,
11. KO@ELJ, Matja`, OREL, Boris. Synthesis of polyhedral phenylsilsesquioxanes with KF as the
source of fluoride ion. Dalton Trans., 2008, no. 37, str. 5072-5075. ¢COBISS.SI-ID 3992090¥
12. KUNI^, Roman, OREL, Boris. Pospe{eno staranje in dolo~evanje ìvljenske dobe gradbenih
materialov = Accelarated ageing and service life prediction of building materials. Gradb.
vestn., avgust 2008, letn. 57, {t. 8, str. 222-228, ilustr. ¢COBISS.SI-ID 4333921¥
13. KUNI^, Roman, OREL, Boris. Pospe{eno staranje in dolo~evanje ìvljenske dobe gradbenih
materialov. Del. 2, Pospe{eno staranje bitumenskih trakov = Accelarated ageing and service
life prediction of building materials. 2nd Part, Accelerated ageing of bitumnous sheeets.
Gradb. vestn., september 2008, letn. 57, {t. 9, str. 230-237, ilustr. ¢COBISS.SI-ID 4334177¥
14. [URCA VUK, Angela, FIR, Mojca, JE[E, Robi, VIL^NIK, Alja`, OREL, Boris. Structural studies of
sol-gel urea/polydimethylsiloxane barrier coatings and improvement of their corrosion
inhibition by addition of various alkoxysilanes. Prog. Org. Coat., 2008, vol. 63, no. 1, str.
123-132. ¢COBISS.SI-ID 3957274¥
15. [URCA VUK, Angela, JOVANOVSKI, Vasko, POLLET-VILLARD, Aurelien, JERMAN, Ivan, OREL,
Boris. Imidazolium-based ionic liquid derivatives for application in electrochromic devices.
Sol. Energy Mater. Sol. Cells, 2008, vol. 92, no. 2, str. 126-135. ¢COBISS.SI-ID 3813146¥
16. TOM[I^, Brigita, SIMONÎ^, Barbara, CVIJIN, Danijela, OREL, Boris, ZORKO, Mateja, SIMONÎ^,
Andrej. Elementarno srebro nano delcev kot antibakterijsko sredstvo na bomba`ni tkanini =
Elementary nano sized silver as antibacterial agent on cotton fabric. Tekstilec, 2008, letn.
51, {t. 7/9, str. 199-215. ¢COBISS.SI-ID 2837608¥
17. TOM[I^, Brigita, SIMONÎ^, Barbara, OREL, Boris, ÊRNE, Lidija, FORTE-TAVÊR, Petra, ZORKO,
Mateja, JERMAN, Ivan, VIL^NIK, Alja`, KOVA^, Janez. Sol-gel coating of cellulose fibres with
202
antimicrobial and repellent properties. J. Sol-gel Sci. Technol., 2008, vol. 47, no. 1, str. 4457. ¢COBISS.SI-ID 3894042¥
18. VESEL, Alenka, MOZETI^, Miran, DRENIK, Aleksander, HAUPTMAN, Nina, BALAT-PICHELIN,
Marianne. High temperature oxidation of stainless steel AISI316L in air plasma. Appl. Surf.
Sci., 2008, vol. 255, issue 5, part 1, str. 1759-1765. ¢COBISS.SI-ID 22237479¥
19. KLANJ[EK GUNDE, Marta. Koliko ultravijoli~ne svetlobe je v naravnem okolju in zakaj je to
pomembno? Naravosl. solnica, zima 2008, let. 12, {t. 2, str. 6-10, ilustr. ¢COBISS.SI-ID
3869722¥
20. MUCK, Tadeja, STARE[INI^, Marica, KLANJ[EK GUNDE, Marta. Tiskana organska elektronika.
Grafi~ar (Ljubl.), 2008, ¢{t.¥ 6, str. 28-¢31¥, ilustr. ¢COBISS.SI-ID 2106736¥
21. @VEGLI^, Ma{a. Na preizku{nji : odtisi Xerox in Océ. Grafi~ar (Ljubl.), 2008, {t. 1, str. 11-30,
22. HAUPTMAN, Nina, KLANJ[EK GUNDE, Marta, MAÊK, Marijan. Resistivity and applicability
of carbon black/epoxy nanocomposite. V: AMON, Slavko (ur.), MOZETI^, Miran (ur.), [ORLI,
Iztok (ur.). 44th International Conference on Microelectronics, Devices and Materials ¢and¥
the Workshop on Advanced Plasma Technologies, September 17. - September 19. 2008,
Fiesa, Slovenia. Proceedings. Ljubljana: MIDEM - Society for Microelectronics, Electronic
Components and Materials, 2008, str. 141-146, ilustr. ¢COBISS.SI-ID 6647380¥
23. HAUPTMAN, Nina, KLANJ[EK GUNDE, Marta, MAÊK, Marijan, BE[TER-ROGA^, Marija
(avtor). Electrical properties of epoxy-based carbon black nanocomposite and its technological
reliability. V: XX kongres na hemi~arite i tehnolozite na Makedonija : izvodi od soop{tenijata
: abstract book. Skopje: Sojuz na hemi~arite i tehnolozite na Makedonija, 2008, str. 1-4.
24. JAPELJ, Bo{tjan, JERMAN, Ivan, KO@ELJ, Matja`, SPREIZER, Helena, OREL, Boris, VODLAN,
Marjanca, MERLINI, Du{an. Colored thickness insensitive spectrally selective (TISS) paint
coatings for polymeric solar absorbers. V: 10th World renewable energy congress : 19-25
July, 2008, Glasgow, Scotland : ¢proceedings¥ : WREC X. Oxford: Elsevier, cop. 2008, str.
1493-1498. ¢COBISS.SI-ID 4003098¥
25. JERMAN, Ivan, TOM[I^, Brigita, KOVA^, Sa{a, SIMONÎ^, Barbara, OREL, Boris. Novel
polyhedral oligomeric silsesquioxanes (POSS) as surface modifiers for cotton fabrics. V:
DRAGÊVI], Zvonko (ur.). 4th International Textile, Clothing & Design Conference ¢also¥
ITC&DC, October 5th to October 8th, 2008, Dubrovnik, Croatia. Magic world of textiles :
book of proceedings. Zagreb: Faculty of Textile Technology, University of Zagreb, 2008, str.
370-375, ilustr. ¢COBISS.SI-ID 2086512¥
203
26. KLANJ[EK GUNDE, Marta, HAUPTMAN, Nina, MAÊK, Marijan. Electrical properties of thin
epoxy-based polymer layers filled with n-carbon black particles. V: MAHER, Mary-Ann (ur.).
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ZnO with organophilic surfaces and their nanocomposites with poly(methyl methacrylate)
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***Ni narejeno na KI / Not done at NIC
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FJODOROVA, Natalja Stanislavovna, ZUPAN, Jure, NOVI^, Marjana, VRA^KO, Marjan, TU[AR,
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GRO[ELJ, Neva, VRA^KO, Marjan, PIERNA, Juan Antonio Fernández, BAETEN, Vincent, NOVI^,
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NOVI^, Marjana, RANDI], Milan. Representation of proteins as walks in 20-D space. SAR
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Nina, ZHOLDAKOVA, Zoya, SINITSYNA, Oxana, BENFENATI, Emilio. Regulatory assessment
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KHARCHEVNIKOVA, Nina, ZHOLDAKOVA, Zoya, NAVIKOV, Sergei, SKVORTSOVA, Natalja,
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Jana (Ljubl.), 25. mar. 2008, letn. 36, {t. 13, str. 12-13, portreti. ¢COBISS.SI-ID 3910938¥
38. NOVI^, Marjana, SNE@I^, Jasna. Ali je hrana, ki jo uìvamo, varna? : Mejne koli~ine {kodljivih
substanc v hrani dolo~ajo predpisi, zato izdelki na policah na{ih trgovin ne bi smeli vsebovati
{kodljivih snovi nad dolo~eno mejo. Ve~er (Marib.), 23. jul. 2008, 64, {t. 169, str.43, ilustr.
39. NOVI^, Marjana, Snoj, Tina Nika (oseba, ki intervjuva), Poto~nik, Mateja J. (fotograf). Med
matematiko in kemijo : Marjana Novi~. Jana (Ljubl.), 1. apr. 2008, let. 36, {t. 14, str. 36-37.
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L04
1.
BEESTON, Michael Philip, ELTEREN, Johannes Teun van, [LEJKOVEC, Zdenka, GLASS, Hylke J.
Migration of arsenic from old tailings ponds - a case study on the King Edward Mine, Cornwall,
UK. Environ. Res., 2008, vol. 108, no. 1, str. 28-34. ¢COBISS.SI-ID 3974426¥
2.
CUDERMAN, Petra, KREFT, Ivan, GERM, Mateja, KOVAÊVI^, Miroslav, STIBILJ, Vekoslava.
Selenium species in selenium-enriched and drought-exposed potatoes. J. Agric. Food Chem.,
2008, issue 19, vol. 59, str. 9114-9120, ilustr. ¢COBISS.SI-ID 5694329¥
3.
DRA[KOVI^, Petra, SAIARDI, Adolfo, BHANDARI, Rashna, BURTON, Adam, ILC, Gregor,
KOVAÊVI^, Miroslav, SNYDER, Solomon H., PODOBNIK, Marjetka. Inositol hexakisphosphate
kinase products contain diphosphate and triphosphate groups. Chem. Biol., 2008, vol. 15,
4.
DRGAN, Viktor, NOVI^, Marjana, PIHLAR, Boris, NOVI^, Milko. Hard-modeling of ion
chromatography separations on hydroxide-selective stationary phase. J. Chromatogr., A,
2008, vol. 1185, issue 1, str. 109-116. ¢COBISS.SI-ID 3858970¥
5.
ELTEREN, Johannes Teun van, KROON, Koos J., [LEJKOVEC, Zdenka, VERBURG, T., KOLAR,
Zvonko I. Topical isotopic exchange and compartmental analysis approach for probing solute
behaviour at the soil/arsenate solution interface. Talanta, 2008, vol. 75, no. 1, str. 253-257.
6.
GLIGOROVSKI, Sa{o, ELTEREN, Johannes Teun van, GRGI], Irena. A multi-element mapping
approach for size-segregated atmospheric particles using laser ablation ICP-MS combined
with image analysis. Sci. Total Environ., 2008, vol. 407, no. 1, str. 594-602. ¢COBISS.SI-ID
4031258¥
7.
GRABEC [VEGL, Irena, BELE, Marjan, OGOREVC, Boìdar. Carbon black nanoparticles film
electrode prepared by using substrate-induced deposition approach. Anal. Chim. Acta, 2008,
215
8.
9.
KOÂR, Drago, STRLI^, Matija, KOLAR, Jana, [ELIH, Vid Simon, PIHLAR, Boris. Peroxiderelated chemiluminiscence of cellulose and its self-absorption. Polym. Degrad. Stab., 2008,
10. LJUBOMIROVA, Valentina, DJINGOVA, Rumyana, ELTEREN, Johannes Teun van, VEBER, Marjan,
KOWALKOWSKI, Tomasz, BUSZEWSKI, Boguslaw. Investigation of the solubilization of caremitted Pt, Pd and Rh in street dust and spiked soil samples. Int. J. Environ. Anal. Chem.,
11. MALE[I^, Jasna, KOJC, Meta, [ELIH, Vid Simon. Assessment of the effect of various bleaching
agents on paper with foxing strains. Restaurator, 2008, vol. 29, no. 3, str. 142-154. ¢COBISS.SIID 4024858¥
12. PAULIUKAITE, Rasa, HOÊVAR, Samo B., HUTTON, Emily A., OGOREVC, Boìdar. Novel
electrochemical microsensor for hydrogen peroxide based on iron-ruthenium hexacyanoferrate
modified carbon fiber electrode. Electroanalysis, 2008, vol. 20, no. 1, str. 47-53. ¢COBISS.SIID 3832090¥
13. SLAVEC, Marija, HOÊVAR, Samo B., OGOREVC, Boìdar. Bismuth film microelectrode
modified with overoxidized poly-1-naphtylamine protective membrane for enhanced stripping
voltammetric detection. Electroanalysis, 2008, vol. 20, no. 12, str. 1309-1316. ¢COBISS.SIID 3951130¥
14. [LEJKOVEC, Zdenka, FALNOGA, Ingrid, GOESSLER, Walter, ELTEREN, Johannes Teun van,
RAML, Reingard, PODGORNIK, Helena, ÊRNEL^, Peter. Analytical artefacts in the speciation
of arsenic in clinical samples. Anal. Chim. Acta, 2008, vol. 607, no. 1, str. 83-91. ¢COBISS.SIID 21294375¥
15. TUR[I^, Janja, GRGI], Irena, BERNER, Axel, [KANTAR, Jaroslav, ÛHALEV, Igor. Measurements
of size-segregated emission particles by a sampling system based on the cascade impactor.
Environ. Sci. Technol., 2008, vol. 42, no. 3, str. 878-883. ¢COBISS.SI-ID 3839002¥
16. TUR[I^, Janja, RADI^, Helena, KOVAÊVI^, Miroslav, VEBER, Marjan. Determination of selected
trace elements in airborne aerosol particles using different sample preparation = Dolo~evanje
nekaterih elementov v sledovih v atmosferskih delcih. Arh. hig. rada toksikol., 2008, vol. 59,
no. 2, str. 111-116, graf. prikazi. ¢COBISS.SI-ID 29941253¥
17. VODNIK, Dominik, GR^MAN, Helena, MAÊK, Irena, ELTEREN, Johannes Teun van,
KOVAÊVI^, Miroslav. The contribution of glomalin-related soil protein to Pb and Zn
sequestration in polluted soil. Sci. Total Environ., 2008, vol. 392, issue 1, str. 130-136.
216
18. BEESTON, Michael Philip, GLASS, Hylke J., ELTEREN, Johannes Teun van, [LEJKOVEC, Zdenka.
Ocena mobilnosti elementov v zemlji z uporabo “fluidised bed” ekstrakcije z on-line ICP-MS
analizo = Assessment of elemental mobility in soil using a fluidised bed approach with online ICP-MS analysis. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski
kemijski dnevi 2008, Maribor, 25. in 26. september 2008 : ¢zbornik referatov¥. Maribor:
Univerza v Mariboru, Fakulteta za kemijo in kemijsko tehnologijo, 2008, str. 1-7. ¢COBISS.SIID 4022810¥
19. GRGI], Irena, NIETO-GLIGOROVSKI, Laura, GLIGOROVSKI, Sa{o, WORTHAM, Henri.
Fotokemijske reakcije v prisotnosti piruvi~ne kisline: moèn izvor sekundarnih organskih
aerosolov v oblakih = Photochemical reactions in the presence of pyruvic acid: possible
source of secondary organic aerosols in clouds. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA,
str. 1-7. ¢COBISS.SI-ID 4017946¥
20. KOTNIK, Darja, PIHLAR, Boris, NOVI^, Milko. Cyclic voltammetry of selected carbohydrates
at Au and Cu electrodes. V: PROSEN, Helena (ur.). 15th Young Investigators’ Seminar on
Analytical Chemistry, Ljubljana, Slovenia, July 2-5, 2008. Book of abstracts. Ljubljana: Faculty
of Chemistry and Chemical Technology, 2008, str. 18-22. ¢COBISS.SI-ID 4028186¥
21. GRGI], Irena. Metals in aerosols. V: COLBECK, Ian (ur.). Environmental chemistry of aerosols.
1st ed. Oxford: Blackwell, 2008, str. 117-140. ¢COBISS.SI-ID 3826202¥
22. STRLI^, Matija, [ELIH, Vid Simon, KOLAR, Jana. Analytical methods based on laser ablation
sampling. V: SCHREINER, Manfred (ur.), STRLI^, Matija (ur.), SALIMBENI, Renzo (ur.). Handbook
of the use of lasers in conservation and conservation science. Brussels: COST office, 2008,
str. 1-9 (poglavje 4.5, elektronska verzija). ¢COBISS.SI-ID 29199365¥
23. SLAVEC, Marija, Ogorevc, Boìdar (mentor), Pihlar, Boris (komentor). Priprava in karakterizacija
povr{insko modificiranih ogljikovih mikro-elektrod kot senzorjev za nekatere biolo{ko in
okoljsko pomembne snovi : doktorska disertacija. Ljubljana: ¢M. Slavec¥, 2008. 158 f., ilustr.,
tabele. ¢COBISS.SI-ID 241942272¥
24. MAUKO, Lea, Ogorevc, Boìdar (mentor), Pihlar, Boris (komentor). Priprava in karakterizacija
glukoznih biosenzorjev na osnovi modificiranih ogljikovih elektrod : magistrsko delo. Ljubljana:
¢L. Mauko¥, 2008. 62 f., ilustr. ¢COBISS.SI-ID 3903770¥
217
218
L05
Laboratorij za kemijo,
biologijo in tehnologijo vod
Laboratory for Chemistry,
Biology and Technology of Water
1.
COTMAN, Magda, DROLC, Andreja, ZAGORC-KONÂN, Jana. Assessment of pollution loads
from point and diffuse sources in small river basin : case study Ljubljanica river. Environ.
Forensics, 2008, vol. 9, no. 2/3, str. 246-251. ¢COBISS.SI-ID 3980570¥
2.
DROBNE, Damjana, BLA@I^, Mateja, GESTEL, Cornelis A. M. van, LE[ER, Vladka, ZIDAR,
Primo`, JEMEC, Anita, TREB[E, Polonca. Toxicity of imidacloprid to the terrestrial isopod
Porcellio scaber (Isopoda, Crustacea). Chemosphere, 2008, vol. 71, no. 7, str. 1326-1334.
3.
DROLC, Andreja, ZAGORC-KONÂN, Jana. Diffuse sources of nitrogen compounds in the
Sava River basin, Slovenia. Desalination, June 2008, vol. 226, iss. 1/3, str. 256-261. ¢COBISS.SIID 3825690¥
4.
JEMEC, Anita, DROBNE, Damjana, REM[KAR, Maja, SEPÎ], Kristina, TI[LER, Tatjana. Effects
of ingested nano-sized titanium dioxide on terrestrial isopods Porcellio scaber. Environ. Toxicol.
Chem., 2008, vol. 27, no. 9, str. 1904-1914. ¢COBISS.SI-ID 3900698¥
5.
JEMEC, Anita, TI[LER, Tatjana, DROBNE, Damjana, SEPÎ], Kristina, JAMNIK, Polona, RO[,
Milenko. Biochemical biomarkers in chronically metal-stressed daphnids. Comp. Biochem.
Physiol., Toxicol. Pharmacol., 2008, vol. 147, no. 1, str. 61-68. ¢COBISS.SI-ID 1758543¥
6.
KURBUS, Tanja, RO[, Milenko. An SBR system with a high flocculent biomass concentration.
Acta Chim. Slov., 2008, vol. 55, no. 2, str. 474-479. ¢COBISS.SI-ID 3955738¥
7.
PINTAR, Albin, BATISTA, Jurka, TI[LER, Tatjana. Catalytic wet-air oxidation of aqueous solutions
of formic acid, acetic acid and phenol in a continuous-flow trickle-bed reactor over Ru-TiO2
catalysts. Appl. Catal., B Environ., 2008, vol. 84, issue 1/2, str. 30-41. ¢COBISS.SI-ID 3942682¥
8.
REP, Karmen, KOMPARE, Boris, RO[, Milenko, KRAVANJA, Stojan. Cost optimization of
integrated wastewater drainage and treatment systems. Water Environ. Res., 2008, vol. 80,
no. 7, str. 581-595, ilustr. ¢COBISS.SI-ID 3975450¥
219
9.
RO[, Milenko, VRTOV[EK, Janez. Industrial and municipal wastewater treatment in the
sequencing batch reactor. Kem. ind., 2008, vol. 57, no. 10, str. 459-463, graf. prikazi.
10. TEPU[, Brigita, RO[, Milenko. Municipal wastewater and pig slurry treatment in a batch
reactor. Chem. Biochem. Eng. Q., 2008, vol. 22, no. 1, str. 97-103. ¢COBISS.SI-ID 12158742¥
11. ZUPANÎ^, Gregor Drago, GRILC, Viktor, RO[, Milenko, URANJEK @EVART, Nata{a. Municipal
waste sludge digestion in an autothermal aerobic sequencing batch reactor. Water Sci.
Technol., 2008, vol. 58, no. 6, str. 1237-1243. ¢COBISS.SI-ID 4033050¥
12. ZUPANÎ^, Gregor Drago, RO[, Milenko. Aerobic and two-stage anaerobic-aerobic sludge
digestion with pure oxygen and air aeration. Bioresour. Technol., 2008, vol. 99, no. 1, str.
100-109. ¢COBISS.SI-ID 3642394¥
13. ZUPANÎ^, Gregor Drago, URANJEK @EVART, Nata{a, RO[, Milenko. Full-scale anaerobic codigestion of organic waste and municipal sludge. Biomass Bioenergy, 2008, vol. 132, issue
2, str. 162-167. ¢COBISS.SI-ID 3900442¥
14. RO[, Milenko. U~inkoviti filtri z nanodelci : kako do zdrave pitne vode. Delo (Ljubl.), 3. jul.
2008, leto 50, {t. 152, str. 24, ilustr. ¢COBISS.SI-ID 3955226¥
15. RO[, Milenko. Slovenia : improving the quality of water and wastewater analysis. V:
International water association yearbook 2008. London: IWA Publishing, 2008, str. 24.
16. RO[, Milenko. Water treatment and reuse : ¢invited keynote lecture¥. V: GÖKÇEKUS, Hüseyin
(ur.). Regional process of the 5th world water forum “Bridging divides for water”, 9-11
October 2008, Near East University, Lefkosa, TRNC. Regional meeting on water in the
Meditrerranean basin : abstracts. Nicosia ¢Turkish Republic of Northern Cyprus¥: Educational
Foundation of Near East University, 2008, str. 156. ¢COBISS.SI-ID 4050970¥
17. BISTAN, Mirjana, TI[LER, Tatjana, KUNAVER, Matja`, MARIN[EK-LOGAR, Romana. Dolo~anje
prisotnosti hormonov in hormonskih motilcev v vodah s kemijskimi in biolo{kimi metodami
: chemical and biological approaches = Detection of endocrine disrupting compounds in
waters : chemical and biological approaches. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA,
18. COTMAN, Magda, @GAJNAR GOTVAJN, Andreja. Toxicity reduction evaluation (TRE) procedure
for identification of toxic substances in landfill leacdhate. V: KUNGOLOS, Athanassios (ur.).
Environmental toxicology II, (WIT transactions on ecology and the environment, vol. 110).
Southampton: WIT Press, 2008, str. 117-126. ¢COBISS.SI-ID 3949594¥
220
19.
GRILC, Viktor, HUSI], Muharem, ZUPANÎ^, Gregor Drago, MELE, Martin. Izvedba in rezultati
fizikalno kemijske analize in merjenja biokemi~nega potenciala komunalnih odpadkov
Ljubljane. V: KORTNIK, Joè (ur.), BAJ@ELJ, Uro{ (ur.), GRILC, Viktor (ur.), HRAST, Klementina
(ur.), IVANC, Marijan (ur.), JELEN, Bojan (ur.), LESKO[EK, Milka (ur.), LESKOVAR, Joè (ur.),
PODLIPNIK, Bernarda (ur.), VOVK, Marinka (ur.). “Gospodarjenje z odpadki - GzO’08" : zbornik
9. strokovnega posvetovanja z mednarodno udele`bo, Oto~ec, 28. avgust 2008. Ljubljana:
Naravoslovnotehni{ka fakulteta, Oddelek za geotehnologijo in rudarstvo, 2008, str. 124134, ilustr. ¢COBISS.SI-ID 4108058¥
20. GRILC, Viktor, ZUPANÎ^, Gregor Drago, MARIN[EK-LOGAR, Romana, SE@UN, Mija. Municipal
waste as a potential source of alternative energy. V: Second International Symposium on
Energy from Biomass and Waste 17-20 November, Fondazione Cini, Venice, Italy. ¢S.l.: s.n..¥,
2008, pdf 182. ¢COBISS.SI-ID 2414216¥
21. HUSI], Muharem, GRILC, Viktor, ZUPANÎ^, Gregor Drago, MELE, Martin. Sortirne, fizikalnokemijske analize i bioplinski potencial komunalnog otpada Ljubljane = Sorted, physical and
chemical analyses and biogas potencial of municipal solid waste from the city of Ljubljana.
V: MILANOVI], Zlatko (ur.). X. me|unarodni simpozij Gospodarenje otpadom - Zagreb 2008,
Hrvatska, 19.-21.11.2008 = X. International symposium Waste management - Zagreb 2008,
Croatia, November 19th - 21th 2008. Zbornik radova. Zagreb: ¢ s. n.¥, 2008, str.335-346.
22. JEMEC, Anita, TI[LER, Tatjana. Dolo~anje strupenosti onesnaèval na zarodke rib zebric Danio
rerio = Toxicity evaluation of pollutants to zebrafish (Danio rerio). V: GLAVI^, Peter (ur.),
BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2008, Maribor, 25. in 26.
september 2008 : ¢zbornik referatov¥. Maribor: Univerza v Mariboru, Fakulteta za kemijo in
kemijsko tehnologijo, 2008, str. 1-9. ¢COBISS.SI-ID 4013338¥
23. KURBUS, Tanja, VRTOV[EK, Janez, RO[, Milenko. Influence of SRT on SBR performance. V:
CHIAVOLA, Agostina (ur.). 4th Sequencing batch reactor conference : SBR4 : 7-10 April,
2008, Rome, Italy : conference proceedings, poster presentations. Roma: Universita degli
studi di Roma La Sapienza, 2008, str. 87-90. ¢COBISS.SI-ID 3981082¥
24. OJSTR[EK, Alenka, FAKIN, Darinka, RO[, Milenko, LOBNIK, Aleksandra, SAMEC, Niko. Textile
dye-rich effluents treatment using biofilter packed with low-cost natural materials. V:
1096-1101. ¢COBISS.SI-ID 12730646¥
25. PINTAR, Albin, BATISTA, Jurka, TI[LER, Tatjana. Detoxification of aliphatic and aromatic organic
pollutants by means of catalytic wet-air oxidation. V: KUNGOLOS, Athanassios (ur.).
221
26. PINTAR, Albin, BATISTA, Jurka, TI[LER, Tatjana. Katalitska oksidacija alifatskih in aromatskih
polutantov v kapalnem reaktorju = Catalytic wet-air oxidation of aliphatic and aromatic
pollutants in a trickle-bed reactor. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.).
Slovenski kemijski dnevi 2008, Maribor, 25. in 26. september 2008 : ¢zbornik referatov¥.
Maribor: Univerza v Mariboru, Fakulteta za kemijo in kemijsko tehnologijo, 2008, str. 1-10.
27. RO[, Milenko, VRTOV[EK, Janez, KURBUS, Tanja. Nitrification and denitrification in an SBR at
long SRTs. V: 8th Specialized conference on small water and wastewater systems (SWWS)
¢and¥ 2nd Specialized conference on decentralised water and wastewater international network
(DEWSIN) : ¢proceedings¥ : Coimbatore, India, February 06-09, 2008. ¢S.l.¥: IWA - International
water association, 2008, str. 1-10. ¢COBISS.SI-ID 3872026¥
28. TI[LER, Tatjana, ZAGORC-KONÂN, Jana. Primernost preskusa strupenosti z raki Daphnia magna
za namene monitoringa odpadnih vod = Suitability of toxicity test with crustacean Daphnia
magna for waste water monitoring purposes. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA,
29. TI[LER, Tatjana, ZAGORC-KONÂN, Jana. Toxicity assessment of effluents. V: KUNGOLOS,
Athanassios (ur.). Environmental toxicology II, (WIT transactions on ecology and the
environment, vol. 110). Southampton: WIT Press, 2008, str. 83-91. ¢COBISS.SI-ID 3949338¥
30. VRTOV[EK, Janez, KURBUS, Tanja, RO[, Milenko. Optimizacija delovanja {ar`nega biolo{kega
reaktorja z visoko koncentracijo biomase = Optimization of the flocculent/granular SBR
operation. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi
2008, Maribor, 25. in 26. september 2008 : ¢zbornik referatov¥. Maribor: Univerza v Mariboru,
31. VRTOV[EK, Janez, RO[, Milenko. Veneer industry wastewater treatment : from pilot experiments
to industrial SBR plant. V: 8th Specialized conference on small water and wastewater systems
(SWWS) ¢and¥ 2nd Specialized conference on decentralised water and wastewater international
network (DEWSIN) : ¢proceedings¥ : Coimbatore, India, February 06-09, 2008. ¢S.l.¥: IWA International water association, 2008, str. 1-7. ¢COBISS.SI-ID 3872282¥
32. ZUPANÎ^, Gregor Drago, GRILC, Viktor, RO[, Milenko, URANJEK @EVART, Nata{a. Municipal
waste sludge digestion in an autothermal aerobic sequencing batch reactor. V: 8th Specialized
conference on small water and wastewater systems (SWWS) ¢and¥ 2nd Specialized conference
on decentralised water and wastewater international network (DEWSIN) : ¢proceedings¥ :
Coimbatore, India, February 06-09, 2008. ¢S.l.¥: IWA - International water association, 2008,
33. ZUPANÎ^, Gregor Drago, RO[, Milenko, GROM, Gregor. Biogas production from tannery
waste in a thermophilic anaerobic sequencing batch digester. V: Second International
Symposium on Energy from Biomass and Waste 17-20 November, Fondazione Cini, Venice,
Italy. ¢S.l.: s.n..¥, 2008, pdf 096 ¢str. 1-9¥. ¢COBISS.SI-ID 4072474¥
222
34. ZUPANÎ^, Gregor Drago, RO[, Milenko, STRA@I[ÂR, Matej, KLEMENÎ^, Miran. Energy
recovery with biogas production from brewery waste - a step towards self-sufficiency. V:
10th World renewable energy congress : 19-25 July, 2008, Glasgow, Scotland : ¢proceedings¥
: WREC X. Oxford: Elsevier, cop. 2008, str. 207-212. ¢COBISS.SI-ID 4003354¥
35. GRILC, Viktor, ZUPANÎ^, Gregor Drago. Sewage sludge management in Slovenia. V: LEBLANC,
Ronald J. (ur.). Global atlas of excreta, wastewater sludge, and biosolids management :
moving forward the sustainable and welcome uses of a global resource. Nairobi, Kenya:
United Nations Human Settlements Programme (UN-HABITAT); Moncton, New Brunswick,
Canada: Greater Moncton Sewerage Commission, cop. 2008, str. 503-510. ¢COBISS.SI-ID
4080410¥
36. JEMEC, Anita, Drobne, Damjana (mentor), Sep~i}, Kristina (komentor). Biokemijski in fiziolo{ki
biomarkerji stresa pri nevreten~arjih : doktorska disertacija = Biochemical and physiological
biomarkers of stress in invertebrates : doctoral dissertation. Ljubljana: ¢A. Jemec¥, 2008. XIII,
152 f., ¢10¥ f. pril., ilustr., preglednice. ¢COBISS.SI-ID 238470144¥
37. KURBUS, Tanja, Ro{, Milenko (mentor), Zagorc-Kon~an, Jana (komentor). Razvoj visoko
u~inkovitega postopka ~i{~enja odpadnih vod v {ar`nem biolo{kem reaktorju : doktorska
disertacija. Ljubljana: ¢T. Kurbus¥, 2008. VIII, 117 f., ilustr. ¢COBISS.SI-ID 29504517¥
40
CUKJATI, Nevenka, Ro{, Milenko (mentor), Pavko, Aleksander (komentor). Primerjalno
kompostiranje mezofilno in termofilno stabiliziranega blata iz komunalne ~istilne naprave :
magistrsko delo. Ljubljana: ¢N. Cukjati¥, 2008. 104 f., ilustr. ¢COBISS.SI-ID 4051482¥
41. RANDO, Vesna, Ro{, Milenko (mentor). Biolo{ko odstranjevanje nitratov iz onesnaènih
podzemnih vod : diplomsko delo. Nova Gorica: ¢V. Grando¥, 2008. VI, 41 str., ilustr. ¢COBISS.SIID 1000955¥
42. PETRI^, Marta, Ti{ler, Tatjana (mentor). Optimizacija metode za dolo~anje strupenosti
onesnaèval na zarodke zebric : diplomsko delo. Nova Gorica: ¢M. Petri~¥, 2008. X, 63 str.,
223
43. TURK, Damjan, Ro{, Milenko (mentor). Delovanje komunalne ~istilne naprave in mo`nost
uporabe produktov ~i{~enja : diplomsko delo. Nova Gorica: ¢D. Turk¥, 2008. V f., 88 str.,
44. Ro{, Milenko (urednik), Kompare, Boris (~lan uredni{kega odbora). Vodni dnevi 2008, Portoro`,
15.-16. oktober 2008. Zbornik referatov. Ljubljana: Slovensko dru{tvo za za{~ito voda, 2008.
158 str., ilustr. ISBN 978-961-6631-02-0. ¢COBISS.SI-ID 241231104¥
224
L06 in CVTA
Laboratorij za prehrambeno kemijo in
Laboratory for Food Chemistry and
1.
FILIPI], Slavica, NIKOLI], Katarina, KRI@MAN, Mitja, AGBABA, Danica. The quantitative
structure-retention relationship (QSRR) analysis of some centrally acting antihypertensives
and diuretics. QSAR Comb. Sci., 2008, vol. 27, issue 8, str. 1036-1044. ¢COBISS.SI-ID 3905818¥
2.
MI[ELJI], Branislava, POPOVI], Gordana V., AGBABA, Danica, MARKOVI], Slavko,
SIMONOVSKA, Breda, VOVK, Irena. Column high-performance liquid chromatographic
determination of norfloxacin and its main impurities in pharmaceuticals. J. AOAC Int., 2008,
3.
PRO[EK, Mirko, BUTINAR, Jano{, LUKANC, Barbara, FIR MILIVOJEVI^, Maja, MILIVOJEVI^,
Luka, KRI@MAN, Mitja, [MIDOVNIK, Andrej. Bioavailability of water soluble CoQ10 in beagle
dogs. J. Pharm. Biomed. Anal., 2008, issues 4/5, vol. 47, str. 918-922. ¢COBISS.SI-ID 3904282¥
4.
STRA@I[AR, Monika, ANDREN[EK, Samo, [MIDOVNIK, Andrej. Effect of β-cyclodextrin on
antioxidant activity of coumaric acids. Food Chem., 2008, issue 3, vol. 110, str. 636-642.
5.
TRDAN, Stanislav, VALI^, Nevenka, AN\US, Ljiljana, VOVK, Irena, MARTELANC, Mitja,
SIMONOVSKA, Breda, JERMAN, Janez, VIDRIH, Rajko, VIDRIH, Matej, @NIDARÎ^, Dragan.
Which plant compounds influence the natural resistance of cabbage against onion thrips
(Thrips tabaci Lindeman)? Acta Phytopathol. Entomol. Hung., 2008, vol. 43, {t. 2, str. 385395. ¢COBISS.SI-ID 5760633¥
6.
TRO[T, Kajetan, GOLC-WONDRA, Alenka, PRO[EK, Mirko, MILIVOJEVI^, Luka. Anthocyanin
degradation of blueberry-aronia nectar in glass compared with carton during storage. J.
Food Sci., 2008, vol. 73, no. 8, str. S 405-411. ¢COBISS.SI-ID 4033818¥
7.
@MITEK, Janko, [MIDOVNIK, Andrej, FIR MILIVOJEVI^, Maja, PRO[EK, Mirko, @MITEK, Katja,
WALCZAK, Jaroslaw, PRAVST, Igor. Relative bioavailability of two forms of a novel watersoluble coenzyme Q10. Ann. Nutr. Metab., 2008, vol. 52, no. 4, str. 281-287. ¢COBISS.SI-ID
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PRO[EK, Mirko, [MIDOVNIK, Andrej, JAZBEC, Petra. Vloga koencima Q10 pri pretvorbi energije
in obrambi organizma. Proteus, dec. 2008, letn. 71, {t. 4, str. 150-157, ilustr. ¢COBISS.SI-ID
28986413¥
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GLAVNIK, Vesna, SIMONOVSKA, Breda, VOVK, Irena. Quantification of procyanidin B2 and
(-)-epicatechin in various chocolates by TLC. V: ESCRIBANO-BAILÓN, M. Teresa (ur.). Polyphenols
communications 2008 : XXIVth International Conference on Polyphenols, Salamanca, 8th11th July 2008. ¢Salamanca: University of Salamanca¥, 2008, vol. 2, str. 513-514. ¢COBISS.SIID 4008474¥
10. SRBINOSKA, Marija, VOVK, Irena, FILIPOVSKI, Kiril, Simonovska, Breda (avtor). Lutein content
in flowers of Tagetes patula L. and Tagetes erecta L. = Sodrìna na lutein vo cvetovi od
Tagetes patula L. i Tagetes erecta L. V: XX kongres na hemi~arite i tehnolozite na Makedonija
: izvodi od soop{tenijata : abstract book. Skopje: Sojuz na hemi~arite i tehnolozite na
Makedonija, 2008, str. 1-3. ¢COBISS.SI-ID 4012058¥
11. TRDAN, Stanislav, VALI^, Nevenka, VOVK, Irena, MARTELANC, Mitja, SIMONOVSKA, Breda,
VIDRIH, Rajko, @NIDARÎ^, Dragan. Naravna odpornost zelja na napad kapusovih bolha~ev
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beetles (Phyllotreta spp., Coleoptera, Chrysomelidae). V: TAJN[EK, Anton (ur.). Novi izzivi v
poljedelstvu 2008 : zbornik simpozija : proceedings of symposium, Roga{ka Slatina, ¢4. in 5.
december¥ 2008. Ljubljana: Slovensko agronomsko dru{tvo, 2008, str. 279-286. ¢COBISS.SIID 3549048¥
12. PRO[EK, Mirko, [MIDOVNIK, Andrej, FIR MILIVOJEVI^, Maja, GOLC-WONDRA, Alenka,
@MITEK, Janko, KOSTANJEVEC, Bo{tjan, DON[A, Bo{tjan, VINDI[-ZELENKO, Brigita. Use of
coenzyme Q10 for improved effectiveness of animal husbandry and production of animal
tissues with an increased content of the said coenzyme = Uporaba koencima Q10 za
u~inkovitej{o vzrejo ìvali in pridelavo ìvalskih tkiv s pove~ano vsebnostjo tega koencima :
international publication number WO 2008/082369 A2, international publication date 10
July 2008 : family member SI 22407 A (30 June 2008). ¢S.l.¥: WIPO - World Intellectual
Property Organization, 2008. 18 str. ¢COBISS.SI-ID 3966234¥
13. NEDI@AVEC, Katja, Zupan~i~-Kralj, Lucija (mentor), Pro{ek, Mirko (komentor). Primerjava
lo~evanja nekaterih spojin s tenkoplastno kromatografijo v razli~nih kadeh : diplomsko delo.
Ljubljana: ¢K. Nediàvec¥, 2008. V, 48 f., ilustr. ¢COBISS.SI-ID 29652741¥
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L07
Laboratorij za polimerno
kemijo in tehnologijo
Laboratory for Polymer
Chemistry and Technology
1.
AN@LOVAR, Alojz, CRNJAK OREL, Zorica, @IGON, Majda. Morphology and particle size of
di(ethylene glycol) mediated metallic copper nanoparticles. J. Nanosci. Nanotechnol., 2008,
2.
AN@LOVAR, Alojz, CRNJAK OREL, Zorica, @IGON, Majda. Nanocomposites with nano-tosub-micrometer size zinc oxide as an effective UV absorber. Polimeri (Zagreb), 2008, vol. 29,
3.
BREN, Urban, KR@AN, Andrej, MAVRI, Janez. Microwave catalysis through rotationally hot
reactive species. J. Phys. Chem., A, Mol. Spectrosc. Kinet. Environ. Gen. Theory, 2008, vol.
4.
BRNARDI], Ivan, HUSKI], Miroslav, @IGON, Majda, IVANKOVI], Marica. Montmorillonite
modified with liquid crystalline diol hydrochlorides : preparation and characterization. J.
Non-cryst. Solids, 2008, vol. 354, no. 18, str. 1986-1991. ¢COBISS.SI-ID 3885338¥
5.
GRIÂR, Maja, POLJAN[EK, Ida, BRULC, Bla`, [MIGOVEC, Tina, @IGON, Majda, @AGAR, Ema.
Preparation and structural characteristics of multiblock and diblock poly(L,L-lactide-co-Laspartic acid) copolymers. Acta Chim. Slov., 2008, vol. 55, no. 3, str. 575-581. ¢COBISS.SI-ID
4004122¥
6.
GYERGYEK, Sa{o, HUSKI], Miroslav, MAKOVEC, Darko, DROFENIK, Mihael. Superparamagnetic
nanocomposites of iron oxide in polymethyl methacrylate matrix synthesized by in situ
polymerization. Colloids Surf., A, Physicochem. Eng. Asp., 2008, vol. 317, no. 1/3, str. 4955. ¢COBISS.SI-ID 21306407¥
7.
HAUPTMAN, Nina, KLANJ[EK GUNDE, Marta, VESEL, Alenka, KUNAVER, Matja`. Spremembe
povr{ine pra{kastega premaza zaradi jedkanja s kisikovo plazmo. Vakuumist, 2008, let. 28,
{t. 1/2, str. 4-7. ¢COBISS.SI-ID 3961626¥
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HUSKI], Miroslav, BRNARDI], Ivan, @IGON, Majda, IVANKOVI], Marica. Modification of
montmorillonite by quaternary polyesters. J. Non-cryst. Solids, 2008, vol. 354, no. 28, str.
3326-3331. ¢COBISS.SI-ID 3936538¥
9.
HUSKI], Miroslav, @IGON, Majda. Thermotropic liquid crystalline α-(bis(2-hydroxyethyl)
amino)-ω-(4'-nitroazobenzene-4-oxy) alkane hydrochlorides. Acta Chim. Slov., 2008, vol.
10. KUNAVER, Matja`, JASIUKAITYTE, Edita. Uteko~injen les - nov na~in uporabe lesne biomase
= Liquefied wood - a new utilisation of wood biomass. Les (Ljublj.), 2008, let. 60, {t. 1, str.
12-15. ¢COBISS.SI-ID 1617033¥
11. PEPI], Dragana, @AGAR, Ema, @IGON, Majda, KR@AN, Andrej, KUNAVER, Matja`, \ONLAGI],
Jasna. Synthesis and characterization of biodegradable aliphatic copolyesters with
poly(ethylene oxide) soft segments. Eur. Polym. J., 2008, vol. 44, issue 3, str. 904-917.
12. RUTKOWSKA, Maria, KRASOWSKA, Katarzyna, HEIMOWSKA, Aleksandra, ADAMUS, Grazyna,
ADAMUS, Grazyna, SOBOTA, Michal, MUSIOL, Marta, JANECZEK, Henryk, SIKORSKA, Wanda,
KR@AN, Andrej, @AGAR, Ema, KOWALCZUK, Marek. Environmental degradation of blends of
atactic poly¢(R,S)-3-hydroxybutyrate¥ with natural PHBV in Baltic Sea water and compost
with activated sludge. J. Polym. Environ., 2008, vol. 16, issue 3, str. 183-191. ¢COBISS.SI-ID
3936026¥
13. @IGON, Majda. Mission and role of national and international associations in the advancement
and promotion of polymer science, technology and materials. Kobunshi, 2008, vol. 57, no.
672, str. 18-19. ¢COBISS.SI-ID 3876634¥
14. KOÊVAR, Gregor, KR@AN, Andrej, BELIÎ^, Andrej. Predelava kompozitnega odpadka v
osnovne plo{~e. V: VINTAR, Jelka (ur.). Inovativni potencial Slovenije! : ¢katalog prireditve¥.
Ljubljana: Javna agencija za podjetni{tvo in tuje investicije, 2008, str. 40. ¢COBISS.SI-ID
3908890¥
15. GYERGYEK, Sa{o, HUSKI], Miroslav, MAKOVEC, Darko, DROFENIK, Mihael. Preparation of a
superparamagnetic nanocomposite with a high content of magnetic iron oxide in a PMMA
matrix by precipitation polymerization : invited lecture. V: 2nd International Conference on
Polymer Blends, Composites, IPNs, Membranes, Polyelectrolytes and Gels: Macro to Nano
Science (ICBC 2008), Sept. 22, 23 and 24, 2008, Kottayam, India.. ¢S. l.: s. n.¥, 2008, 4 str.
16. @AGAR, Ema, KR@AN, Andrej, POLJAN[EK, Ida, @IGON, Majda. Size exclusion chromatography
with light scattering detection as a complementary tool for the characterization of complex
polymers : invited lecture. V: The 42nd IUPAC World Polymer Congress (MACRO 2008), June
228
29-July 4, Taipei International Convention Center. Polymers at frontiers of science and
technology. ¢S. l.: s. n.¥, 2008, ¢1-2¥ str., graf. prikazi. ¢COBISS.SI-ID 3963162¥
17. BISTAN, Mirjana, TI[LER, Tatjana, KUNAVER, Matja`, MARIN[EK-LOGAR, Romana. Dolo~anje
prisotnosti hormonov in hormonskih motilcev v vodah s kemijskimi in biolo{kimi metodami
= Detection of endocrine disrupting compounds in waters : chemical and biological
approaches. V: GLAVI^, Peter (ur.), BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski
dnevi 2008, Maribor, 25. in 26. september 2008 : ¢zbornik referatov¥. Maribor: Univerza v
Mariboru, Fakulteta za kemijo in kemijsko tehnologijo, 2008, str. 1-9. ¢COBISS.SI-ID 4022042¥
18. BRULC, Bla`, @AGAR, Ema, @IGON, Majda. Kontrolirana sinteza in karakterizacija poli(βbenzil L-aspartata) = Controlled synthesis and characterization of poly(β-benzyl L-aspartate).
19. EMRI, Igor, FLORJANÎ^, Ur{ka, ZUPANÎ^, Barbara, HUSKI], Miroslav, @IGON, Majda, UMEK,
Polona, ARÔN, Denis. Polymer nanocomposites with 1D titanate nanostructures. V: The
Polymer Processing Society, 24th Annual Meeting (PPS-24), Salerno, Italy, June 15-19, 2008
: program and proceedings. ¢S. l.¥: ¢s. n.¥, 2008, 6 str. ¢COBISS.SI-ID 10549019¥
20. EMRI, Igor, FLORJANÎ^, Ur{ka, ZUPANÎ^, Barbara, HUSKI], Miroslav, @IGON, Majda, UMEK,
Polona, ARÔN, Denis. Time-dependent mechanical behaviour of PA6 nanocomposites with
titanate nanoribbons. V: ACIERNO, Domenico (ur.), D’AMORE, Alberto (ur.), GRASSIA, Luigi
(ur.). Fourth International Conference on Times of Polymers (TOP) and Composites, Ischia,
Italy, September 21-24, 2008, (AIP conference proceedings, Vol. 1042, issue 1). Melville,
New York: American Institute of Physics, cop. 2008, str. 169-171. ¢COBISS.SI-ID 10691355¥
21. KUNAVER, Matja`, JASIUKAITYTE, Edita, TI[LER, Vesna, MEDVED, Sergej. Lignocellulosic
materials as a feedstock for polymer synthesis. V: FERREIRO, Eugenio C. (ur.), MOTA, Manuel
M. (ur.). Proceedings of the 10th International chemical and biological engineering conference
(ChemPor 2008), Braga, Portugal, 4-6 September 2008. ¢S.l.: s.n..¥, 2008, str. 1-6. ¢COBISS.SIID 3991578¥
22. POLJAN[EK, Ida, GRIÂR, Maja, @AGAR, Ema, @IGON, Majda. Molar mass and structural
characteristics of poly¢(lactide-co-aspartic acid)¥ block copolymers. V: PENCZEK, Stanislaw
(ur.). (Bio)degradable polymers from renewable resources : selected contributions from the
conference, 2nd meeting of the International Network (Bio)degradable Polymers from
Renewable Resources in Vienna, Austria, November 18-21, 2007, (Macromolecular symposia,
vol. 272). Weinheim: Wiley-VCH, 2008, str. 75-80, graf. prikazi. ¢COBISS.SI-ID 4096026¥
23. POLJAN[EK, Ida, @IGON, Majda, @AGAR, Ema. Molar mass and structural characteristics of
poly(lactide-co-aspartic acid) block copolymers. V: The 42nd IUPAC World Polymer Congress
(MACRO 2008), June 29-July 4, Taipei International Convention Center. Polymers at frontiers
of science and technology. ¢S. l.: s. n.¥, 2008, ¢1-2¥ str., graf. prikazi. ¢COBISS.SI-ID 3963418¥
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24. [EBENIK, Gorazd, HUSKI], Miroslav, @AGAR, Ema, @IGON, Majda. Priprava polimernih
nanokompozitov iz polikationsko modificiranega montmorilonita = Preparation of polymer
nanocomposites using polycation-modified montmorillonite. V: GLAVI^, Peter (ur.),
BRODNJAK-VONÎNA, Darinka (ur.). Slovenski kemijski dnevi 2008, Maribor, 25. in 26.
september 2008 : ¢zbornik referatov¥. Maribor: Univerza v Mariboru, Fakulteta za kemijo in
kemijsko tehnologijo, 2008, str. 1-7. ¢COBISS.SI-ID 4019994¥
25. [MIGOVEC, Tina, @AGAR, Ema, @IGON, Majda. Karakterizacija kompleksnih polimerov s
teko~insko kromatografijo = Characterization of complex polymers by liquid chromatography.
26. KUNAVER, Matja`. Karboksilne kisline, ma{~obne kisline, amini, amidi, barvila in amino kisline
: dodatno {tudijsko gradivo za predmet Splo{na in lesna kemija. Ljubljana: Biotehni{ka
fakulteta, Oddelek za lesarstvo, 2008. 69 str., ilustr. ¢COBISS.SI-ID 1667209¥
27. AN@LOVAR, Alojz, CRNJAK OREL, Zorica, @IGON, Majda. Nanoparticles and nanowires of
ZnO with organophilic surfaces and their nanocomposites with poly(methyl methacrylate) =
Nanodelci in nanoì~ke ZnO z organofilno povr{ino in njihovi nanokompoziti s polimetil
metakrilatom : int. appl. no. PCT/SI2008/000055, filing date 24 October 2008 : (also Slov.
appl. no. P-200700294). ¢S.l.: s.n..¥, 2008. 17 str. ¢COBISS.SI-ID 4139034¥
28. KOÊVAR, Gregor, BELIÎ^, Andrej, KR@AN, Andrej. Postopek recikliranja kompozitnega
polimernega materiala : prijava slovenskega patenta {t. P=200800008, datum prijave 16.
jan. 2008. Ljubljana: Urad Republike Slovenije za intelektualno lastnino, 2008. 5 str. ¢COBISS.SIID 3910426¥
29. AN@LOVAR, Alojz, CRNJAK OREL, Zorica, @IGON, Majda. Sinteza nanoì~k na osnovi
bakrovega(I) oksida z redukcijo v diolu brez dodatka vode : slovenski patent {t. 22337, datum
objave 29. feb. 2008. Ljubljana: Urad Republike Slovenije za intelektualno lastnino, 2008. 6
str. ¢COBISS.SI-ID 3669018¥
30. MAKOVEC, Darko, GYERGYEK, Sa{o, HUSKI], Miroslav, DROFENIK, Mihael. Postopek priprave
magnetnih nanokompozitov z visoko vsebnostjo nanodelcev dispergiranih v polimerni matrici
: patent SI22539. Ljubljana: Urad RS za intelektualno lastnino, 31.12.2008. ¢COBISS.SI-ID
21334823¥
31. TI[LER, Vesna, KUNAVER, Matja`. Priprava in uporaba uteko~injenega lesa za pridobivanje
toplotne energije : slovenski patent {t. SI 22448 A, datum objave 30. avg. 2008. Ljubljana:
Urad Republike Slovenije za intelektualno lastnino, 2008. 5 str. ¢COBISS.SI-ID 4001818¥
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32. GRIÂR, Maja, @igon, Majda (mentor). Opredelitev kopolimerov asparaginske in mle~ne
kisline s kromatografskimi metodami in sipanjem svetlobe : doktorska disertacija. V Ljubljani:
¢M. Gri~ar¥, 2008. 158 f., ilustr., tabele. ¢COBISS.SI-ID 241942528¥
33. GRIÂR, Maja, @igon, Majda (mentor). Opredelitev kopolimerov asparaginske in mle~ne
kisline s kromatografskimi metodami in sipanjem svetlobe : doktorska disertacija. V Ljubljani:
¢M. Gri~ar¥, 2008. 158 f., ilustr., tabele. ¢COBISS.SI-ID 241942528¥
34. KOÊVAR, Gregor, @igon, Majda (mentor). Predelava in uporaba odpadnega akrilatno/
poliestrskega kompozita : magistrsko delo. Ljubljana: ¢G. Ko~evar¥, 2008. VI, 119 f., ilustr.
35. ÛK, Nata{a, Ti{ler, Vesna (mentor), Kunaver, Matja` (komentor). Optimizacija uteko~injenja
lesa razli~nih drevesnih vrst : diplomsko delo : univerzitetni {tudij = Wood liquefaction
optimization of different wood species : graduation thesis : university studies. Ljubljana: ¢N.
ûk¥, 2008. IX, 68 f., tabele, ilustr. ¢COBISS.SI-ID 1659529¥
36. Pigment & resin technology. Kunaver, Matja` (~lan uredni{kega odbora 2003-). London:
Sawell Publications. ISSN 0369-9420. ¢COBISS.SI-ID 6575621¥
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odbora 2001-). Wembley: SURFEX Limited, 2001-2006. ISSN 1476-4865. ¢COBISS.SI-ID
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14086149¥
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sintezi polimerov lahko del surovin nadomestimo z obnovljivimi viri. Finance. 27. okt. 2008,
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L08
Laboratorij za organsko sintezo
in kemijo zdravil
Laboratory for Organic and
Medicinal Chemistry
1.
ZUPANÎ^, Borut, MOHAR, Barbara, STEPHAN, Michel. Impact of incorporating substituents
onto the P-o-anisyl groups of DiPAMP ligand on the rhodium(I)-catalyzed asymmetric
hydrogenation of olefins. Adv. Synth. Catal., 2008, vol. 350, no. 13, str. 2024-2032.
2.
[TERK, Damjan, [ket, Boris (mentor), Mohar, Barbara (komentor). Novi kiralni ligandi za
asimetri~ne redukcije = New chiral ligands for asymmetric reductions. V: PLEVNIK, Miha
(ur.). 38. Krkine nagrade = 38th Krka Prizes : zbornik povzetkov, 18. simpozij, Novo mesto,
17. oktober 2008. Novo mesto: Krka, 2008, str. 38-42. ¢COBISS.SI-ID 4042010¥
3.
[TIMAC, Anton, MOHAR, Barbara, STEPHAN, Michel, BEVC, Mojca, ZUPET, Rok, GARTNER,
Andrej, KRO[ELJ, Vesna, SMRKOLJ, Matej. Process for the preparation of ezetimibe and
derivatives thereof : international publication number WO2008089984 A2, international
publication date 31 July 2008 : ¢in the patent family also EP 1953140 A1¥. ¢S.l.: s.n..¥, 2008.
4.
[TERK, Damjan, Mohar, Barbara (mentor), [ket, Boris (mentor). Novi kiralni ligandi za
asimetri~ne redukcije : doktorska disertacija. Ljubljana: ¢D. [terk¥, 2008. VII, 145 str., ilustr.
5.
[TERK, Damjan, Mohar, Barbara (mentor), [ket, Boris (mentor). Novi kiralni ligandi za
asimetri~ne redukcije : doktorska disertacija. Ljubljana: ¢D. [terk¥, 2008. VII, 145 str., ilustr.
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dru{tvo, 1956-. ISSN 0011-1643. ¢COBISS.SI-ID 22807¥
L09
Laboratorij za anorgansko kemijo
in tehnologijo
Laboratory for Inorganic Chemistry
and Technology
1.
ARROYO-DE DOMPABLO, M. Elena, DOMINKO, Robert, GALLARDO-AMORES, Jose Manuel,
DUPONT, Löic, MALI, Gregor, EHRENBERG, Helmut, JAMNIK, Janko, MORAN, Emilio
Miguelez. On the energetic stability and electrochemistry of Li2MnSiO4 polymorphs. Chem.
Mater, 2008, vol. 20, no. 17, str. 5574-5584. ¢COBISS.SI-ID 3987482¥
2.
BRONI], Josip, ANTOLI] JELI], Tatjana, KRZNARI], Ivan, KONTREC, Jasminka, SUBOTI],
Boris, MALI, Gregor. Influence of alkali cations (Me = Li, Na, K, Rb, Cs) on physico-chemical
properties of the liquid and solid phases of Me-aluminosilicate hydrogels. Acta Chim. Slov.,
3.
GABROV[EK, Roman, VUK, Toma`, KAUÎ^, Ven~eslav. The preparation and thermal behavior
of calcium monocarboaluminate. Acta Chim. Slov., 2008, vol. 55, no. 4, str. 942-950.
4.
HELLIWELL, Madeleine, HELLIWELL, John R., ZABUKOVEC LOGAR, Nata{a, MALI, Gregor,
NOVAK TU[AR, Nata{a, KAUÎ^, Ven~eslav. Structure characterisation of nanoporous
materials using state-of-the-art single-crystal X-ray and neutron diffraction techniques. Acta
Chim. Slov., 2008, vol. 55, no. 4, str. 709-718. ¢COBISS.SI-ID 4075034¥
5.
KOSANOVI], Cleo, BOSNAR, Sanja, SUBOTI], Boris, NOVAK TU[AR, Nata{a, RISTI], Alenka,
GABROV[EK, Roman, KAUÎ^, Ven~eslav. The influences of the way of preparation of Mealuminosilicates (Me = Li, Na, K, Rb and Cs) on the products. Microporous Mesoporous
Mater., 2008, vol. 112, no. 1/3, str. 542-552. ¢COBISS.SI-ID 3950106¥
6.
KOSANOVI], Cleo, BULJAN, Iva, BOSNAR, Sanja, SUBOTI], Boris, NOVAK TU[AR, Nata{a,
RISTI], Alenka, GABROV[EK, Roman, KAUÎ^, Ven~eslav. Thermal transformation of various
potassium aluminosilicate precursors. Acta Chim. Slov., 2008, vol. 55, no. 4, str. 960-965.
235
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MALI, Gregor, KAUÎ^, Ven~eslav, TAULELLE, Francis. Measuring distances between halfinteger quadrupolar nuclei and detecting relative orientations of quadrupolar and dipolar
tensors by double-quantum homonuclear dipolar recoupling nuclear magnetic resonance
experiments. J. Chem. Phys., 2008, vol. 128, issue 20, art. no. 204503. ¢COBISS.SI-ID 3944474¥
8.
MAZAJ, Matja`, COSTACURTA, Stefano, ZABUKOVEC LOGAR, Nata{a, MALI, Gregor, NOVAK
TU[AR, Nata{a, INNOCENZI, Plinio, MALFATTI, Luca, THIBAULT-STARZYK, Frederic,
AMENITSCH, Heinz, KAUÎ^, Ven~eslav, SOLLER-ILLIA, G.J.A.A. Mesoporous
aluminophosphate thin films with cubic pore arrangement. Langmuir, 2008, vol. 24, no. 12,
str. 6220-6225. ¢COBISS.SI-ID 3950362¥
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medicinskih raziskavah in diagnostiki = Proteomics in medicine researches and diagnostics :
invited lecture. V: RASPOR, Peter (ur.), JAMNIK, Polona (ur.). Posvetovanje Pomen biotehnologije
in mikrobiologije za prihodnost, 31. januar in 1. februar 2008, Ljubljana. Proteomika, (Pomen
biotehnologije in mikrobiologije za prihodnost, 05). Ljubljana: Biotehni{ka fakulteta, Oddelek
za ìvilstvo, 2008, str. 33-44. ¢COBISS.SI-ID 3402104¥
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28. PETERNEL, [pela, BELE, Marjan, GABERC-POREKAR, Vladka, KOMEL, Radovan. Contraction
of inclusion bodies and its implication in biotechnology and medicine : invited lecture. V:
2008 Protein and peptide conference ¢also¥ PepCon-2008, April 22-24, 2008, Shenzen,
China. From concept to market : ¢book of abstracts¥. ¢S.l.: s.n..¥, 2008, str. 52. ¢COBISS.SI-ID
3968538¥
29. KUNSTELJ, Men~i, MENART, Viktor, AMBRO@I^, Gabriela, GABERC-POREKAR, Vladka. Selenium
containing modifying agents and conjugates : European patent application 08003584.31216, date of filing 27.02.08. Rijswijk ¢The Netherlands¥: European Patent Office, 2008.
30. MENART, Viktor, GABERC-POREKAR, Vladka, VASLE-PRERADOV, Tatjana, JESENKO, Ana,
PODOBNIK, Barbara. One step IMAC (MCAC) purification of proteins : international patent
publication no. WO 2008/006899 A1, publication date 17 January 2008 : also published as
EP1878739. ¢S.l.¥: WIPO - World Intellectual Property Organization, 2008. ¢COBISS.SI-ID
3961370¥
31. MENART, Viktor, VASLE-PRERADOV, Tatjana, JESENKO, Ana. Organic compounds : international
patent application WO 2008074724 A1, publication date 26 June 2008 : published also as
EP1939212 (A1) (20.12.2006). ¢S.l.¥: WIPO - World Intellectual Property Organization, 2008.
32. PETERNEL, [pela, Komel, Radovan (mentor). Nastanek in lastnosti neklasi~nih inkluzijskih
teles v bakteriji Escherichia coli : doktorska disertacija = Formation and properties of
nonclassical inclusion bodies in bacteria Escherichia coli : doctoral thesis. Ljubljana: ¢[. Peternel¥,
2008. X, 151 f., ilustr. ¢COBISS.SI-ID 3986970¥
33. GOR[I^, Ma{a, Komel, Radovan (mentor). Izraànje genov med regeneracijo okon~ine pri
dvoìvki Ambystoma mexicanum : doktorska disertacija = Gene expression during limb
regeneration of Ambystoma mexicanum : doctoral thesis. Ljubljana: ¢M. Gor{i~¥, 2008. 150
f., ilustr. ¢COBISS.SI-ID 24559065¥
34. PETERNEL, [pela, Komel, Radovan (mentor). Nastanek in lastnosti neklasi~nih inkluzijskih
teles v bakteriji Escherichia coli : doktorska disertacija = Formation and properties of
nonclassical inclusion bodies in bacteria Escherichia coli : doctoral thesis. Ljubljana: ¢[. Peternel¥,
2008. X, 151 f., ilustr. ¢COBISS.SI-ID 3986970¥
35. LAHAJNAR, Tina, Komel, Radovan (mentor), Rozman, Damjana (komentor). Heterologno
izraànje transkripcijskih faktorjev druìn SREBP in CREM v E. coli in dolo~anje njihove
248
koncentracije v tkivih poskusnih mi{k : diplomsko delo. Ljubljana: ¢T. Lahajnar¥, 2008. IX, 79
f., ilustr. ¢COBISS.SI-ID 30089989¥
36. [NAJDER, Marko, Komel, Radovan (mentor). Dvodimenzionalna direfen~na gelska
elektroforeza v preiskavi adenokarcioma èlodca : diplomsko delo. Ljubljana: ¢M. [najder¥,
2008. VII, 71 f., ilustr. ¢COBISS.SI-ID 29800453¥
37. MARU[I], Maja, [trukelj, Borut (mentor), Caserman, Simon (komentor). Primerjava metod
testiranja in vitro biolo{ke aktivnosti pegiliranega interferona = Comparation of in vitro
methods for measurement of biological activity of pegylated interferon : diplomska naloga,
(Diplomske naloge). Ljubljana: ¢M. Maru{i}¥, 2008. 79 f., ilustr. ¢COBISS.SI-ID 2336113¥
38. MAVER ZVER, Tina, [trukelj, Borut (mentor), Gaberc-Porekar, Vladka (komentor). Nov pristop
za pridobivanje pegiliranih farmacevtsko zanimivih proteinov = A new approach for preparing
pegylated pharmaceutically interesting proteins : diplomska naloga, (Diplomske naloge).
Ljubljana: ¢T. Maver Zver¥, 2008. 64 f., ilustr. ¢COBISS.SI-ID 2405489¥
39. Acta chimica slovenica. Komel, Radovan (~lan uredni{kega odbora 1998-). Ljubljana: Slovensko
14086149¥
40. Proteus. Komel, Radovan (odgovorni urednik 2002-). Ljubljana: Prirodoslovno dru{tvo
Slovenije, 1934-. ISSN 0033-1805. ¢COBISS.SI-ID 7547138¥
41. LAH, Ljerka, VASELLA, Daniel, Bo{njak, Dragica (oseba, ki intervjuva), Ko~evar, Nina (z enoto
povezano ime), Komel, Radovan (z enoto povezano ime), Herrling, Paul (z enoto povezano
ime). Uspe{na slovenska mlada raziskovalka : Novartisov Bio Camp. Delo (Ljubl.), 4. sep.
249
250
L12
1.
DUH, Darja, NICHOL, Stuart T., KHRISTOVA, Marina L., SAKSIDA, Ana, HAFNER BRATKOVI^,
Iva, PETROVEC, Miroslav, DEDUSHAJ, Iusuf, AHMETI, Salih, AV[I^-@UPANC, Tatjana. The
complete genome sequence of a Crimean-Congo Hemorrhagic Fever virus isolated from an
endemic region in Kosovo. Virol. J., 2008, vol. 5, art. no. 7, str. 1-6. ¢COBISS.SI-ID 3896858¥
2.
FRANK, Mojca, MANÊK KEBER, Mateja, KR@AN, Mojca, SODIN-[EMRL, Sne`na, JERALA,
Roman, IGLI^, Ale{, ROZMAN, Bla`, KRALJ-IGLI^, Veronika. Prevention of microvesiculation
by adhesion of buds to the mother cell membrane - a possible anticoagulant effect of healthy
donor plasma. Autoimmun. Rev., 2008, vol. 7, no. 3, str. 240-245. ¢COBISS.SI-ID 23693785¥
3.
HAFNER BRATKOVI^, Iva, GA[PER[I^, Jernej, [MID, Lojze, BRESJANAC, Mara, JERALA, Roman.
Curcumin binds to the α-helical intermediate and to the amyloid form of prion protein - a
new mechanism for the inhibition of PrPSc accumulation. J. Neurochem., 2008, vol. 104, no.
6, str. 1553-1564. ¢COBISS.SI-ID 3896346¥
4.
JAN[A, Rado, [U[TAR, Vid, FRANK, Mojca, SU[ANJ, Petra, BE[TER, Janez, MANÊK KEBER,
Mateja, KR@AN, Mojca, IGLI^, Ale{. Number of microvesicles in peripheral blood and ability
of plasma to indicate adhesion between phospholipid membranes in 19 patients with
gastrointestinal diseases. Blood Cells Mol. Dis., 2008, vol. 41, iss. 1, str. 124-132. ¢COBISS.SIID 6534228¥
5.
PIRHER, Nina, IVIÂK, Karolina, POHAR, Jelka, BENÎNA, Mojca, JERALA, Roman. A second
binding site for double-stranded RNA in TLR3 and consequences for interferon activation.
Nat. Struct. Mol. Biol., 2008, vol. 15, no. 7, str. 761-763 ¢COBISS.SI-ID 3954714¥
6.
POLYMENIDOU, Magdalini, MOOS, Rita, SCOTT, Mike, SIGURDSON, Christina, SHI, Yongzhong, YAJIMA, Bill, HAFNER BRATKOVI^, Iva, JERALA, Roman, HORNEMANN, Simone,
WÜTHRICH, Kurt, BELLON, Anne, VEY, Martin, GREY, Graciela, JAMES, Michael N. G., KAV,
Nat, AGUZZI, Adriano. The POM monoclonals : a comprehensive set of antibodies to non-
251
overlapping prion protein epitopes. PLOS One, 2008, vol. 3, no. 12, str. e3872-1-e3872-17.
7.
RESMAN, Nu{a, GRADI[AR, Helena, VA[L, Joìca, MANÊK KEBER, Mateja, PRISTOV[EK,
Primo`, JERALA, Roman. Taxanes inhibit human TLR4 signaling by binding to MD-2. FEBS
Lett., 2008, vol. 582, no. 28, str. 3929-3934. ¢COBISS.SI-ID 4065818¥
8.
SANCHEZ-GOMEZ, Susana, LAMATA, Marta, LEIVA, Jose, BLONDELLE, Sylvie E., JERALA,
Roman, ANDRÄ, Jörg, BRANDENBURG, Klaus, LOHNER, Karl, MORIYON, Ignacio, TEJADA DE
GARAIZÁBAL, Guillermo Martinez de. Comparative analysis of selected methods for the
assessment of antimicrobial and membrane-permeabilizing activity : a case study for
lactoferricin derived peptides. BMC Microbiol., 11 November 2008, vol. 8, str. 1-9. ¢COBISS.SIID 4081178¥
9.
[OLAR, Tina, TUR[I^, Janja, LEGI[A, Matic. The role of glucosamine-6-phosphate deaminase
at the early stages of Aspergillus niger growth in a high-citric-acid-yielding medium. Appl.
Microbiol. Biotechnol., 2008, vol. 78, no. 4, str. 613-619. ¢COBISS.SI-ID 3885082¥
10. TOM[I^, Brigita, SIMONÎ^, Barbara, CVIJIN, Danijela, OREL, Boris, ZORKO, Mateja, SIMONÎ^,
Andrej. Elementarno srebro nano delcev kot antibakterijsko sredstvo na bomba`ni tkanini =
Elementary nano sized silver as antibacterial agent on cotton fabric. Tekstilec, 2008, letn.
51, {t. 7/9, str. 199-215. ¢COBISS.SI-ID 2837608¥
11. TOM[I^, Brigita, SIMONÎ^, Barbara, OREL, Boris, ÊRNE, Lidija, FORTE-TAVÊR, Petra, ZORKO,
Mateja, JERMAN, Ivan, VIL^NIK, Alja`, KOVA^, Janez. Sol-gel coating of cellulose fibres with
antimicrobial and repellent properties. J. Sol-gel Sci. Technol., 2008, vol. 47, no. 1, str. 4457. ¢COBISS.SI-ID 3894042¥
12. VA[L, Joìca, PROHINAR, Polonca, GIOANNINI, Theresa L., WEISS, Jerrold P., JERALA, Roman.
Functional activity of MD-2 polymorphic variant is significantly different in soluble and TLR4bound forms : decreased endotoxin binding by G56R MD-2 and its rescue by TLR4 ectodomain.
J Immunol., 2008, vol. 180, no. 9, str. 6107-6115. ¢COBISS.SI-ID 3905562¥
13. ZORKO, Mateja, JERALA, Roman. Alexidine and chlorhexidine bind to lipopolysaccharide
and lipoteichoic acid and prevent cell activation by antibiotics. J Antimicrob. Chemother.,
2008, issue 4, vol. 62, str. 730-737. ¢COBISS.SI-ID 3979290¥
14. JERALA, Roman. Celi~ni svetilniki : Nobelova nagrada za kemijo 2008. Delo (Ljubl.), 16. okt.
15. JERALA, Roman. From molecular immunity to synthetic biology : applying basic science to
solve health problems : Laboratory of Biotechnology at the National Institute of Chemistry.
Quark, ¢English ed.¥, Summer 2008, str. 102-105, ilustr. ¢COBISS.SI-ID 3979546¥
16. JERALA, Roman. Na{i raziskovalci odkrili mehanizem prepoznavanja virusnih infekcij : objava
rezultatov v ugledni reviji Nature Structural and Molecular Biology. Delo (Ljubl.), 3. jul. 2008,
leto 50, {t. 152, str. 23, ilustr. ¢COBISS.SI-ID 3954970¥
252
17. BAGAR, Tanja, BENÎNA, Mojca. It’s green inside : tracking pH changes in living fungal cells
: invited lecture. V: PALA, Jan (ur.). Proceedings of advances in widefield and confocal
fluorescence microscopy: National Institute of Chemistry, Ljubljana, Slovenia, March 13-14,
2008. Brno : Librix.EU, 2008, str. 12-19. ¢COBISS.SI-ID 3897626¥
18. BENÎNA, Mojca. Small molecules: calcium and pH homeostasis : invited lecture. V: VUJAKLIJA,
Du{ica (ur.). 4th Croatian microbiological congress with international participation : Zadar,
Croatia, 24th-27th September, 2008 : programme and abstracts. Zagreb: Croatian
Microbiological Society, 2008, str. 26. ¢COBISS.SI-ID 4017690¥
19. TOM[I^, Brigita, SIMONÎ^, Barbara, ÊRNE, Lidija, FORTE-TAVÊR, Petra, OREL, Boris,
VIL^NIK, Alja`, ZORKO, Mateja. Functionalisation of cotton fabric by antimicrobial and
repellent finishing. V: 21st IFATCC International Congress, Barcelona 2008. New horizons of
textile finishing. ¢S.l.¥: Asociación espanola de Químicos y la Coloristas textiles (AEQCT),
2008, 7 str. ¢COBISS.SI-ID 2025840¥
20. TOM[I^, Brigita, SIMONÎ^, Barbara, OREL, Boris, ZORKO, Mateja. The influence of
antimicrobial test performance on the bacterial reduction of finished cotton fabric. V:
21. BENÎNA, Mojca, BENÎNA, Katja, PODGORNIK, Ale{, [TRANCAR, Ale{. Monolithic bioreactors
for macromolecules. V: ZACHARIOU, Michael (ur.). Affinity chromatography : methods and
protocols. Part III, (Methods in molecular biology, vol. 421). 2nd ed. Totowa ¢NJ, USA¥:
Humana press, cop. 2008, str. 257-274. ¢COBISS.SI-ID 3406200¥
22. LEGI[A, Matic, BENÎNA, Mojca. Vaje iz mikrobiologije : ¢u~benik za laboratorijske vaje¥. 1.
izd. Ljubljana: Fakulteta za kemijo in kemijsko tehnologijo, 2008. 64 str., ilustr. ISBN 978961-6756-01-3. ¢COBISS.SI-ID 241471744¥
23. BLONDELLE, Sylvie E., JERALA, Roman, PRISTOV[EK, Primo`, MAJERLE, Andreja, ZORKO,
Mateja, JAPELJ, Bo{tjan, BRANDENBURG, Klaus, ANDRÄ, Jörg, PORRO, Massimo, URÍA, Ignacio
Moriyón, LEÓN, José Leiva, TEJADA DE GARAIZÁBAL, Guillermo Martinez de, ZWEYTICK,
Dagmar, DEUTSCH, Günter, LOHNER, Karl. Antimicrobial peptides : international patent
publication WO 2008/006125 A1, publication date 17 January 2008 = Antimikrobielle Peptide
: ¢also Austrian patent application no. A 1165/2006 C07K, 10 July 2006¥. ¢S.l.: s.n..¥, 2008.
253
24. VAN PEIJ, Noël N. M. E., PARENICOVA, Lucie, BENÎNA, Mojca, IVIÂK, Karolina. Method for
reducing the expression of a gene in a filamentous fungal cell : international publication no.
WO2008053019 A2, publication date 8 May 2008. ¢S.l.: s.n..¥, 2008. 18 str. ¢COBISS.SI-ID
3937306¥
25. HAFNER BRATKOVI^, Iva, Jerala, Roman (mentor). Vpliv strukturnih sprememb prionskega
proteina na infektivnost in vezavo specifi~nih reagentov : ¢doktorska disertacija¥. ¢Ljubljana:
I. Hafner Bratkovi~¥, 2008. VII, 109 f., ilustr., tabele. ¢COBISS.SI-ID 238644480¥
26. VA[L, Joìca, Jerala, Roman (mentor). Funkcija proteina MD-2 pri odzivu na bakterijski
endotoksin : doktorska disertacija. Ljubljana: ¢J. Va{l¥, 2008. IX, 104 str., ¢9¥ str. pril., ilustr.,
graf. prikazi. ¢COBISS.SI-ID 21950247¥
27. ZORKO, Mateja, Jerala, Roman (mentor), [trukelj, Borut (komentor). Nevtralizacija endotoksina
z novimi antimikrobnimi u~inkovinami = Neutralization of endotoxin by novel antimicrobial
substances : doktorska disertacija. Ljubljana: ¢M. Zorko¥, 2008. 121 str., ilustr., tabele.
28. HAFNER BRATKOVI^, Iva, Jerala, Roman (mentor). Vpliv strukturnih sprememb prionskega
proteina na infektivnost in vezavo specifi~nih reagentov : ¢doktorska disertacija¥. ¢Ljubljana:
I. Hafner Bratkovi~¥, 2008. VII, 109 f., ilustr., tabele. ¢COBISS.SI-ID 238644480¥
29. [OLAR, Tina, Legi{a, Matic (mentor). Uravnavanje metabolizma na ravni 6-fosfofrukto-1kinaze pri glivi Aspergillus niger : ¢doktorska disertacija¥. ¢Ljubljana: T. [olar¥, 2008. 114 f.,
¢14¥ f. pril., ilustr., tabele. ¢COBISS.SI-ID 242061568¥
30. VA[L, Joìca, Jerala, Roman (mentor). Funkcija proteina MD-2 pri odzivu na bakterijski
endotoksin : doktorska disertacija. Ljubljana: ¢J. Va{l¥, 2008. IX, 104 str., ¢9¥ str. pril., ilustr.,
graf. prikazi. ¢COBISS.SI-ID 21950247¥
31. ZORKO, Mateja, Jerala, Roman (mentor), [trukelj, Borut (komentor). Nevtralizacija endotoksina
z novimi antimikrobnimi u~inkovinami = Neutralization of endotoxin by novel antimicrobial
substances : doktorska disertacija. Ljubljana: ¢M. Zorko¥, 2008. 121 str., ilustr., tabele.
32. KOKLI^, Barbara, Legi{a, Matic (mentor). Vpliv specifi~nih vnesenih genov glive Aspergillus
niger na produkcijo itakonske kisline pri glivi Aspergillus terreus : diplomsko delo. Ljubljana:
¢B. Kokli~¥, 2008. XI, 60 f., ilustr. ¢COBISS.SI-ID 29500677¥
33. LOTRI^, Kaja, Legi{a, Matic (mentor). Opis post-translacijske modifikacije encima 6-fosfofrukto1-kinaze v sesal~jih celicah : diplomsko delo. Ljubljana: ¢K. Lotri~¥, 2008. VIII, 47 f., ilustr.
254
34. [KRJANEC, Igor, Legi{a, Matic (mentor). Produkcija bioplina iz pivskih tropin: ugotavljanje
metanogenega potenciala in analiza mikrobne zdru`be v anaerobni metanogeni biomasi :
diplomsko delo. Ljubljana: ¢I. [krjanec¥, 2008. VI, 76 f., ilustr. ¢COBISS.SI-ID 4056090¥
35. CVETKOVI], Boìdara, Mraz, Miha (mentor), Jerala, Roman (komentor). Analiza mo`nosti
realizacije primitivnih ra~unalni{kih struktur na osnovi DNK gradnikov = ¢Feasibility analysis
of realization of primitive computer structures based on DNA assembly elements¥ : diplomska
naloga. Ljubljana: ¢B. Cvetkovi}¥, 2008. XI, 77 str., ilustr. ¢COBISS.SI-ID 6746708¥
36. FEKONJA, Ota, Anderluh, Gregor (mentor), Jerala, Roman (komentor). Vpliv dimerizacije
domen Toll/interleukin-1 receptorjev na signalizacijo Tollu podobnih receptorjev : diplomsko
delo, univerzitetni {tudij = The effect of Toll/interleukin-1 receptor domain dimerization on
Toll-like receptor signaling : graduation thesis, university studies, (Biotehni{ka fakulteta, Enota
medoddel~nega {tudija mikrobiologije, Ljubljana, Diplomske naloge, 350). Ljubljana: ¢O.
Fekonja¥, 2008. XIX, 98 f., graf. prikazi, tabele. ¢COBISS.SI-ID 3487864¥
37. GOBEC, Martina, Mlinari~-Ra{~an, Irena (mentor), Ben~ina, Mojca (komentor). Znotrajceli~na
lokalizacija Toll-u podobnega receptorja 3 ob stimulaciji s sinteti~nimi ligandi = Intracellular
localization of Toll-like receptor 3 after stimulation with synthetic ligands : diplomska naloga,
(Diplomske naloge). Ljubljana: ¢M. Gobec¥, 2008. 72 f., ilustr. ¢COBISS.SI-ID 2405233¥
38. OBLAK, Alja, Anderluh, Gregor (mentor), Jerala, Roman (komentor). Vpliv zamenjave
aminokislin 82, 85 in 87 na aktivnost proteina MD-2 : diplomsko delo, univerzitetni {tudij =
The effect of mutations of amino acid residues 82, 85 and 87 on the activity of MD-2 :
graduation thesis, university studies, (Biotehni{ka fakulteta, Enota medoddel~nega {tudija
mikrobiologije, Ljubljana, Diplomske naloge, 352). Ljubljana: ¢A. Oblak¥, 2008. XVI, 73 str.,
graf. prikazi, tabele. ¢COBISS.SI-ID 3488376¥
39. POHAR, Jelka, Anderluh, Gregor (mentor), Jerala, Roman (komentor). Vloga proteolize v
signalizaciji dvoveri`ne RNK preko Toll-podobnega receptorja 3 : diplomsko delo, univerzitetni
{tudij = The influence of proteolysis on signaling of double stranded RNA through the Tolllike receptor 3 : graduation thesis, university studies, (Biotehni{ka fakulteta, Enota
medoddel~nega {tudija mikrobiologije, Ljubljana, Diplomske naloge, 362). Ljubljana: ¢J. Pohar¥,
2008. XXI, 105 f., graf. prikazi, tabele. ¢COBISS.SI-ID 3505528¥
^lanstva v organizacijskih odborih / Memberships in Conference Committees
40. FRIEDRICH, Joìca. Organization of meeting. Round table on industrial biotechnology in
Slovenia. Ljubljana: SusChem - EuropaBio: National Institute of Chemistry, 21 May 2008.
41. BENÎNA, Mojca, Hre{~ak, Anja (oseba, ki intervjuva). [tudentje razvili cepivo proti raku na
èlodcu. Dnevnik, 12. nov. 2008, letn. 58, {t. 262, str. 9. ¢COBISS.SI-ID 4068122¥
255
42. JERALA, Roman, Av{i~, Vera (oseba, ki intervjuva). Imamo znanje, nimamo podjetij : idealno
okolje za nastajajo~e mlado podjetje je ravno povezanost z eno od raziskovalnih in{titucij.
Finance, 10. jun. 2008, {t. 110, str. 30-31, ilustr. ¢COBISS.SI-ID 3950618¥
43. JERALA, Roman, Bertoncelj, Mateja (oseba, ki intervjuva). Na{i tretji~ premagali Harvard in
Cambridge : {tudenti kemije, biokemije in medicine na vrhu. Finance (Online), 11. nov. 2008,
str. 16. ¢COBISS.SI-ID 4068890¥
44. JERALA, Roman, Gro{elj, Mateja (oseba, ki intervjuva). Slovencem zlato za odkritje, ki obeta
cepivo. Ve~er (Marib.), 11. nov. 2008, let. 64, {t. 261, str. 5, ilustr. ¢COBISS.SI-ID 4068634¥
45. JERALA, Roman, Kalan, Maja (oseba, ki intervjuva). Premagali so celo Harvard : vrhunsko - s
cepivom ljubljanski {tudenti pometli s svetovno konkurenco. @urnal24, 11. nov. 2008, str. 5.
46. JERALA, Roman, Kukovi~, Ur{ka (oseba, ki intervjuva). Stremite k izpolnitvi svojih potencialov.
Finance (Online), 5. dec. 2008. ¢COBISS.SI-ID 4066842¥
47. JERALA, Roman, [elek, Marija (oseba, ki intervjuva), Ko~ar, Vid (z enoto povezano ime), Lonzari~,
Jan (z enoto povezano ime), Kolar, Katja (z enoto povezano ime), Mori, Jerneja (z enoto
povezano ime), êh, Eva (z enoto povezano ime), Smole, Anè (z enoto povezano ime), Lasi~,
Ana (z enoto povezano ime), Horvat, Simon (z enoto povezano ime), Ben~ina, Mojca (z enoto
povezano ime), Ivi~ak, Karolina (z enoto povezano ime), Pirher, Nina (z enoto povezano ime),
Cigli~, Monika (z enoto povezano ime). Cepivo proti raku na èlodcu? : Uspeh slovenskih
{tudentov ¢na mednarodnem tekmovanju iGEM s podro~ja sintezneb biologije v ameri{kem
Cambridgu¥. Jana (Ljubl.), 25. nov. 2008, let. 36, {t. 48, str. 16. ¢COBISS.SI-ID 4067354¥
48. JERALA, Roman, Vistoropski, Nika (oseba, ki intervjuva). Na{a predanost je zmagala : zlati
slovenski {tudenti ¢na mednarodnem tekmovanju raziskovalnih projektov na presti`ni univerzi
MIT v Cambridgu¥. Ona (Ljubl.), 18. nov. 2008, leto 10, str. 50, ilustr. ¢COBISS.SI-ID 4067866¥
49.
256
JERALA, Roman, @arkovi~, Vesna (oseba, ki intervjuva). On vaccine production, the Ljubljana
students even beat Harvard. Sinfo, 2008, no. 15, str. 16-18, fotogr. ¢COBISS.SI-ID 4066586¥
L13
Laboratorij za katalizo in
reakcijsko inènirstvo
Laboratory for Catalysis and
Chemical Reaction Engineering
1.
DJINOVI], Petar, BATISTA, Jurka, PINTAR, Albin. Calcination temperature and CuO loading
dependence on CuO-CeO2 catalyst activity for water-gas shift reaction. Appl. Catal., A Gen.,
2.
DJINOVI], Petar, LEVEC, Janez, PINTAR, Albin. Effect of structural and acidity/basicity changes
of CuO-CeO2 catalysts on their activity for water-gas shift reaction. Catal. Today, 2008, vol.
138, no. 3/4, str. 222-227. ¢COBISS.SI-ID 4034586¥
3.
PINTAR, Albin, BATISTA, Jurka, TI[LER, Tatjana. Catalytic wet-air oxidation of aqueous solutions
of formic acid, acetic acid and phenol in a continuous-flow trickle-bed reactor over Ru-TiO2
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New all-atom force field for molecular dynamics simulation of an AlPO4-34 molecular sieve.
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DJINOVI], Petar, PINTAR, Albin, LEVEC, Janez. Vpliv strukturnih in povr{inskih kislinsko/bazi~nih
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acidity/basicity changes of CuO-CeO2 catalysts on their activity for water-gas shift reaction.
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MARTINÎ^, Vito, GOLOB, Janvit, GREYT, Wim de, VERHÉ, Roland, KNEZ, Sergej, VAN HOED,
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Optimization of industrial-scale deodorization of high-oleic sunflower oil via response surface
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29337605¥
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ZUPANÎ^, Gregor Drago, GRILC, Viktor, RO[, Milenko, URANJEK @EVART, Nata{a. Municipal
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fizikalno kemijske analize in merjenja biokemi~nega potenciala komunalnih odpadkov
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9. strokovnega posvetovanja z mednarodno udele`bo, Oto~ec, 28. avgust 2008. Ljubljana:
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GRILC, Viktor, ZUPANÎ^, Gregor Drago, MARIN[EK-LOGAR, Romana, SE@UN, Mija. Municipal
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chemical analyses and biogas potencial of municipal solid waste from the city of Ljubljana.
V: MILANOVI], Zlatko (ur.). X. me|unarodni simpozij Gospodarenje otpadom - Zagreb 2008,
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JAZBIN[EK, Alma, GRILC, Viktor, FELE @ILNIK, Ljudmila. Izolacija fenolov iz bio-olja
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ZUPANÎ^, Gregor Drago, GRILC, Viktor, RO[, Milenko, URANJEK @EVART, Nata{a. Municipal
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on decentralised water and wastewater international network (DEWSIN) : ¢proceedings¥ :
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GRILC, Viktor, ZUPANÎ^, Gregor Drago. Sewage sludge management in Slovenia. V: LEBLANC,
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Nacionalni center za NMR spektroskopijo
visoke lo~ljivosti - lokacija KI
National Centre for High Resolution
NMR Spectroscopy - Location NIC
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BABI], Darko, ]URI], Manda, MOLÂNOV, Kre{imir, ILC, Gregor, PLAVEC, Janez. Synthesis
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ANDREI, Graciela, SNOECK, Robert, BALZARINI, Jan, MINTAS, Mladen. Synthesis, cytostatic
and anti-HIV evaluations of the new unsaturated acyclic C-5 pyrimidine nucleoside analogues.
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GOZDEK, Agnieszka, ZHUKOV, Igor, POLKOWSKA, Agnieszka, POZNANSKI, Jaroslaw,
STANKIEWICZ-DROGON, Anna, PAWLOWICZ, Jerzy M., ZAGÓRSKI-OSTOJA, Wlodzimierz,
BOROWSKI, Peter, BOGUSZEWSKA-CHACHULSKA, Anna M. NS3 peptide, a novel potent
hepatitis C virus NS3 helicase inhibitor : its mechanism of action and antiviral activity in the
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KAZIMIERCZUK, Krzysztof, ZAWADZKA, Anna, KOZMINSKI, Wiktor, ZHUKOV, Igor.
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PODBEV[EK, Peter, [KET, Primo`, PLAVEC, Janez. Stacking and not solely topology of T3
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PLAVEC, Janez. 1D and 2D NMR methods that are used in structural characterization (of
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kloroetilen oksida pri alkiliranju DNK : diplomsko delo. Ljubljana: ¢M. Zupan¥, 2008. 36 f.,
Bibliografski podatki iz baze COBISS (20. april 2009)
Bibliographic data from database COBISS (April 20, 2009)
264

Letno poročilo 2008

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