Scientific journal

47 2008

Journal of Food and Nutrition Research
Summary No. 1 / 2008

Classification of wine varieties using multivariate analysis of data obtained by gas chromatography with microcolumn extraction
Journal of Food and Nutrition Research, 47, 2008, No. 1, s. 37-44

Ján Mocák, Institute of Analytical Chemistry, Slovak University of Technology, Radlinského 9, SK – 812 37 Bratislava, Slovakia. E-mail:

Summary: Seventy-two wine samples of six varieties originating from the Small Carpathian region, Slovakia and produced in Western Slovakia in 2003 were quantitatively analysed by gas chromatography (GC) using headspace solid-phase microcolumn extraction. Wine aroma compounds were extracted from the headspace into a microcolumn; the microcolumn was then transferred into a modified GC injection port for thermal desorption and the released compounds were analysed. This combination was simple, rapid and suitable for characterization of wine aroma compounds without the use of a complicated sample preparation procedure. Areas of chromatographic peaks of the same retention time corresponding to the selected 65 volatile aroma compounds were used for grouping of varietal wines. Wines were characterized by a set of identified compounds with corresponding relative abundances. The relative standard deviation of 5 peak area measurements varied between 1.0% and 8.4%, the median of all observed relative standard deviation values was 2.4%. Using a new chemometrical approach, a complete chromatographic peak assignment was not necessary and only the peak pattern was utilized. The best classification performance exhibited linear discriminant analysis, the K-th nearest neighbour method and logistic regression, by which more than 95% correct classifications were obtained. Principal component analysis, cluster analysis and artificial neural networks provided complementary information.

Keywords: wine; volatile compounds; solid-phase microcolumn extraction; thermal desorption; headspace; capillary gas chromatography

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