Feature extraction and selection from volatile compounds for analytical classification of Chinese red wines from different varieties

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• 作者：Jian Zhang ; Li Li ; Nianfa Gao ; Depei Wang ; Qiang Gao ; Shengping Jiang
• 关键词：Headspace solid-phase microextraction ; Wine ; Volatile compounds ; Principal component analysis ; Stepwise linear discriminant analysis ; Classification
• 刊名：Analytica Chimica Acta
• 出版年：2010
• 出版时间：10 March 2010
• 年：2010
• 卷：662
• 期：2
• 页码：137-142
• 全文大小：345 K

文摘

This work was undertaken to evaluate whether it is possible to determine the variety of a Chinese wine on the basis of its volatile compounds, and to investigate if discrimination models could be developed with the experimental wines that could be used for the commercial ones. A headspace solid-phase microextraction gas chromatographic (HS-SPME-GC) procedure was used to determine the volatile compounds and a blind analysis based on Ac/Ais (peak area of volatile compound/peak area of internal standard) was carried out for statistical purposes. One way analysis of variance (ANOVA), principal component analysis (PCA) and stepwise linear discriminant analysis (SLDA) were used to process data and to develop discriminant models. Only 11 peaks enabled to differentiate and classify the experimental wines. SLDA allowed 100 % recognition ability for three grape varieties, 100 % prediction ability for Cabernet Sauvignon and Cabernet Gernischt wines, but only 92.31 % for Merlot wines. A more valid and robust way was to use the PCA scores to do the discriminant analysis. When we performed SLDA this way, 100 % recognition ability and 100 % prediction ability were obtained. At last, 11 peaks which selected by SLDA from raw analysis set had been identified. When we demonstrated the models using commercial wines, the models showed 100 % recognition ability for the wines collected directly from winery and without ageing, but only 65 % for the others. Therefore, the varietal factor was currently discredited as a differentiating parameter for commercial wines in China. Nevertheless, this method could be applied as a screening tool and as a complement to other methods for grape base liquors which do not need ageing and blending procedures.