基于非靶向代谢组学的葡萄酒原产地溯源分析  

Origin Traceability of Wine Based on Untargeted Metabolomics

作　　者：李密 巩志国 杨丽 巴哈提古丽·马那提拜 吕帅 朱姬颖 房芳 贾玮[1] LI Mi;GONG Zhi-guo;YANG Li;MANATBAI Bakhetgul;LÜShuai;ZHU Ji-ying;FANG Fang;JIA Wei(School of Food Science and Engineering,Shaanxi University of Science and Technology,Xi’an 710021,China;Urumqi Customs Technology Center,Urumqi 830063,China;Alashankou Customs Technology Center,Alashankou 833418,China)

机构地区：[1]陕西科技大学食品科学与工程学院,陕西西安710021 [2]乌鲁木齐海关技术中心,新疆乌鲁木齐830063 [3]阿拉山口海关技术中心,新疆阿拉山口833418

出　　处：《分析测试学报》2024年第9期1417-1424,共8页Journal of Instrumental Analysis

基　　金：海关总署科研项目(2022HK129)。

摘　　要：以澳大利亚、法国、中国新疆和格鲁吉亚4个产地的葡萄酒为研究对象,利用超高效液相色谱-四极杆-静电场轨道离子阱质谱(UHPLC-Q-Orbitrap-MS)技术进行葡萄酒代谢组学分析,结合多元统计分析进行产地溯源研究。运用主成分分析(PCA)及偏最小二乘判别分析(PLS-DA),对不同产地的葡萄酒构建分类模型。基于倍数变化(FC)大于2.0或小于0.5、显著性差异(p)小于0.05和变量投影重要性(VIP)大于1.5,共筛选出9个特征标志物。KEGG代谢通路分析发现,不同产地葡萄酒的品质差异来源于黄酮和黄酮醇的生物合成对黄酮类物质的影响。结果表明,基于UHPLC-Q-Orbitrap-MS的非靶向代谢组学结合化学计量学方法鉴别葡萄酒产地具有可行性,为葡萄酒的产地溯源和品质评估提供了技术支持和理论依据。In this study,wines from four regions,Australia,France,Xinjiang,China and Geor⁃gia,were selected as the research objects.Ultra-high performance liquid chromatography-quadru⁃pole-orbitrap mass spectrometry(UHPLC-Q-Orbitrap-MS)technology was utilized to analyze the metabolomics of the wines,and the traceability was conducted by combining multivariate statistical analysis.The classification models of wines from different regions were constructed by combining with principal components analysis(PCA)and partial least squares-discriminant analysis(PLS-DA),re⁃sulting in accurate discrimination of actual wine samples.Based on fold changes(FC)greater than 2.0 or less than 0.5,significance difference(p)less than 0.05 and variable importance for projec⁃tion(VIP)greater than 1.5,a total of 9 characteristic markers were screened.The KEGG metabolic pathway analysis revealed that the quality differences in wines from different regions arise from the in⁃fluence of the flavone and flavonol biosynthesis on flavonoid substances.This study demonstrated that the untargeted metabolomics combined with chemometrics method based on UHPLC-Q-Orbitrap-MS is feasible to identify wine origin,which provides technical support and theoretical basis for wine ori⁃gin traceability and quality evaluation.

关 键 词：超高效液相色谱-四极杆-静电场轨道离子阱质谱 葡萄酒 产地溯源 代谢组学 化学计量学 

分 类 号：O657.63[理学—分析化学] TS207.3[理学—化学]