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Analytical Chemistry of Food and Wine
Analytical Chemistry of Food and Wine Analytical Chemistry of Food and Wine iSens Project Department of Analytical and Organic Chemistry Rovira i Virgili University CEICS Forum. What’s on Oenology. Tarragona, 2011 Analytical Chemistry of Food and Wine Research objectives: Development of analytical methods for effective control of wine quality ... and other foods Researchers 4 PhD Josep Guasch, Olga Busto, Montserrat Mestres, Laura Aceña 2 PhD Collaborators Ricard Boqué, Joan Ferré (from CQN 4 PhD Anna Brull, Pedro Cabanillas, Ayse research group) Yalcin, Sandra Jornet students Analytical Chemistry of Food and Wine Research trends Development and validation of chromatographic methods for grape juice and wine analysis Analytical methods for aroma characterization Fast methods for cellar quality control. Application to sensory analysis Food authenticity Food quality specifications Analytical Chemistry of Food and Wine Research trends Development and validation of chromatographic methods for grape juice and wine analysis Gas Chromatography Sample treatment HPLC HS LLE SPE SPME P&T Thiols Sulphides Pyrazines Fenols Esters TCA Amines Ochratoxine Polyphenols http://www.quimica.urv.es/w3qaea/ Analytical Chemistry of Food and Wine Research trends Aroma characterization: GCO Gas Chromatography Volatiles Sample treatment ODOUR? http://www.quimica.urv.es/w3qaea/ Analytical Chemistry of Food and Wine Research trends Aroma characterization: GCO Gas Chromatography Volatiles Sample treatment Gas chromatography olfactometry Counts I 800000 D 600000 400000 C 200000 0 5 10 15 20 25 30 35 40 45 min http://www.quimica.urv.es/w3qaea/ Analytical Chemistry of Food and Wine Research trends Aroma characterization: GCO Gas Chromatography Volatiles Gas chromatography olfactometry Odorants Sample treatment AROMA Aroma Value AEDA Wine aroma WINE, JUICE, VINEGAR, DRIED FRUITS, OLIVE OIL, BEER, WATER… Analytical Chemistry of Food and Wine GCO Counts 800000 FD 600000 256 AROMAGRAMA 400000 200000 0 5 10 15 20 25 30 35 40 45 min Counts 64 16 800000 600000 4 400000 200000 0 5 5 10 15 20 25 30 35 40 45 10 15 20 25 30 35 40 45 min CROMATOGRAMA counts Counts tr (min) 800000 600000 800000 400000 200000 0 5 10 15 20 25 30 35 40 45 min 600000 400000 Counts 800000 600000 200000 400000 200000 0 5 10 15 20 25 30 35 40 45 min 0 5 10 15 20 25 30 35 40 45 tr (min) Analytical Chemistry of Food and Wine GCO Red wine: 32 odorants identified Threshold Butirato de etilo Hexanoato de etilo Octanoato de etilo Acetato de isoamilo Ácido butírico Ácido hexanoico Ácido octanoico Ácido isovaleriánico Alcohol isoamílico Alcohol feniletílico -damascenona 20 ppb 10 ppb 3ppb 30 ppb 175 ppb 420 ppb 500 ppb 35 ppb 30 ppm 14 ppm 50 ppt OAV 3-110 10-550 30-1300 4-250 2-25 1-15 1-15 9-35 2-10 1-10 6-95 Descriptor floral manzana dulce, jabón plátano queso queso rancio queso alcohol rosa floral Estudio de 52 vinos (Garnacha, Tempranillo, Cabernet sauvignon, Merlot) Analytical Chemistry of Food and Wine GCO Rosé wine (Garnacha): 32 odorants identified OAV Butirato de etilo Hexanoato de etilo Octanoato de etilo Acetato de isoamilo Ácido butírico Ácido hexanoico Ácido octanoico Ácido isovaleriánico Alcohol isoamílico Alcohol feniletílico -damascenona 10 39 41 42 11 5 5 21 6 1 61 OAV 3-mercapto-1-hexanol Furaneol Ácido isobutírico 2-metil-3-furantiol Acetato de etilo -nonalactona 3-metiltiopropanol Soloton Isobutanol Isobutirato de etilo -ionona 67 7 6 4 3 2 2 2 >1 >1 >1 pomelo caramelo ácido cebolla disolvente coco ajo especias fusel piña violeta Analytical Chemistry of Food and Wine Research trends Fast methods for cellar quality control • • • No sample treatment Multivariate methods Chemometrics FT‐IR e‐tongue Quality Control HS‐MS e‐nose • Ripeness • Winemaking • Ageing Sample treatment AUTHENTICITY Analytical Chemistry of Food and Wine Research trends Fast methods for cellar quality control • • • No sample treatment Multivariate methods Chemometrics e‐tongue Wine Scan (FOSS) CALIBRATION (Chemometrics) Chemical Information Enological Information Bacchus (TDI) Analytical Chemistry of Food and Wine Research trends Fast methods for cellar quality control No sample treatment Multivariate methods Chemometrics • • • e‐nose HS HS‐MS Respuesta MS 60 88 HS 40 70 73 20 101 100 MSD CALIBRATION 115 0 GC (Chemometrics) 150 200 Variables (m/z) Chemical Information Enological Information RGLOBAL Analytical Chemistry of Food and Wine Research trends Fast methods for cellar quality control • • • No sample treatment Multivariate methods Chemometrics FT‐IR e‐tongue Sample treatment HS‐MS e‐nose Ripeness Control Phenolic Ripeness Classification Defects Sensory Analysis Aromatic ripeness Analytical Chemistry of Food and Wine Research trends Fast methods for cellar quality control • • • No sample treatment Multivariate methods Chemometrics FT‐IR e‐tongue Sample treatment HS‐MS e‐nose 10 Human sensory responses!!!! HS‐MS 9 8 fruity aged spirit vanilla alcohol phenol wood fusel 7 6 5 4 3 2 1 0 0 1 2 3 4 5 6 Sensory analysis 7 8 9 10 Analytical Chemistry of Food and Wine Research trends Fast methods for cellar quality control • • • No sample treatment Multivariate methods Chemometrics Sample treatment FT‐IR e‐tongue HS‐MS e‐nose Vis e‐eye AUTHENTICITY SENSORY ANALYSIS AGL2007‐61550/ALI Métodos rápidos de control de la autenticidad de vinos y vinagres mediante sensores químicos. Aplicación al análisis sensorial AGL2010‐19668/ALI‐Proyecto AGL2011‐26456/ALI Especificaciones de calidad para productos típicos de la dieta mediterránea Analytical Chemistry of Food and Wine About chemosensory analysis Human Sensory receptors Stimuli Detection System Data Sensorial property Artificial Sensors Analytical Chemistry of Food and Wine Analytical procedure Variables Response Artificial sensor V1 S1 a11 S2 a21 S3 a31 … … Sj aj1 V1 V2 V3 V3 a13 a21 a31 … aj3 … Vk … a1k … a2k … a3k … … … ajk Vk Spectra Multivariate Analysis (Pattern recognition) V2 a12 a21 a31 … aj2 Centering Autoscaling Row Autoscaling Row Profile Smoothing Derivative Data Matrix Data pre-treatment Analytical Chemistry of Food and Wine Results Scientific papers: 50 Congress communications: 59 In the last decade http://www.quimica.urv.es/w3qaea/ Analytical Chemistry of Food and Wine Thank your for your attention Analytical Chemistry of Food and Wine iSens Project Department of Analytical and Organic Chemistry Rovira i Virgili University CEICS Forum. What’s on Oenology. Tarragona, 2011