A proton nuclear magnetic resonance (NMR)-based metabolomic study was used to characterize 2009, 2010, 2011, and 2012 vintages of Cabernet Sauvignon wines from Ningxia, which were vinified using the same fermentation technique. The pattern recognition methods of principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA), and orthogonal PLS-DA (OPLS-DA) clearly distinguished between the different vintages of wine driven by the following metabolites: valine, 2,3-butanediol, ethyl acetate, proline, succinic acid, lactic acid, acetic acid, glycerol, gallic acid, and choline. The PLS-DA loading plots also differentiated among the metabolites of different vintages. In the 2009 vintage wines, we found the highest levels of gallic acid, valine, proline, and 2,3-butanediol. The 2011 vintage wines contained the highest levels of lactic acid, and the highest levels of ethyl acetate, succinic acid, glycerol, and choline were observed in the 2012 vintage wines. We selected eight metabolites from the 1 H NMR spectra that were quantified according to their peak areas, and the concentrations were in agreement with the results of PLS-DA and OPLS-DA analyses.

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基于1H核磁共振的代谢组学评估不同年份赤霞珠葡萄酒的质量

基于质子核磁共振（NMR）的代谢组学研究表征了来自宁夏的赤霞珠葡萄酒的2009、2010、2011和2012年，并使用相同的发酵技术对其进行了酿造。主成分分析（PCA），偏最小二乘判别分析（PLS-DA）和正交PLS-DA（OPLS-DA）的模式识别方法清楚地区分了以下代谢物驱动的不同年份的葡萄酒：缬氨酸，2 ，3-丁二醇，乙酸乙酯，脯氨酸，琥珀酸，乳酸，乙酸，甘油，没食子酸和胆碱。PLS-DA加载图也区分了不同年份的代谢产物。在2009年的葡萄酒中，我们发现没食子酸，缬氨酸，脯氨酸和2,3-丁二醇的含量最高。2011年的葡萄酒中乳酸含量最高，而2012年的葡萄酒中乙酸乙酯，琥珀酸，甘油和胆碱的含量最高。我们从1 H NMR光谱中选择了8种代谢物，并根据它们的峰面积进行了定量，其浓度与PLS-DA和OPLS-DA分析的结果一致。