Gerginova Dessislava, Simova Svetlana
Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria.
ACS Omega. 2023 May 16;8(21):18702-18713. doi: 10.1021/acsomega.3c00636. eCollection 2023 May 30.
Distinguishing the botanical and geographical origin of wine is important to prevent wine adulteration and to determine its quality. The combined use of H NMR profiling and chemometrics allows the quantification of 31 common organic components in the NMR spectra of 70 wines from different sources. Using the NMR metabolomics approach, a successful differentiation of wines produced from Bulgarian and international grape varieties is achieved using linear discriminant analysis. Wines produced from typical local grape varieties contain higher average amounts of galacturonic, malic, tartaric, and succinic acid, alanine, choline, several alcohols, and saccharides arabinose, galactose, and sucrose than imported wine assortments. A practical decision tree is proposed for distinguishing 15 different grape varieties based on the amounts of the common wine components. An example of distinction of real from diluted wine via creation of a PLS-DA model is presented. Wines from the two subregions officially recognized by the EU at the Protected Geographical Indication (PGI) level are unequivocally recognized.
区分葡萄酒的植物来源和地理来源对于防止葡萄酒掺假和确定其品质很重要。结合使用核磁共振氢谱(¹H NMR)分析和化学计量学方法,可以对来自不同产地的70种葡萄酒的核磁共振谱中的31种常见有机成分进行定量分析。采用核磁共振代谢组学方法,通过线性判别分析成功区分了保加利亚葡萄品种和国际葡萄品种酿造的葡萄酒。与进口葡萄酒相比,典型本地葡萄品种酿造的葡萄酒中半乳糖醛酸、苹果酸、酒石酸、琥珀酸、丙氨酸、胆碱、几种醇类以及阿拉伯糖、半乳糖和蔗糖等糖类的平均含量更高。基于常见葡萄酒成分的含量,提出了一个用于区分15种不同葡萄品种的实用决策树。通过建立偏最小二乘判别分析(PLS-DA)模型,给出了区分真酒和稀释酒的实例。明确识别了欧盟在受保护地理标志(PGI)级别正式认可的两个次区域的葡萄酒。