基于非目标1H NMR 指纹图谱技术验证中国葡萄酒原产地

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  • 1 (中国矿业大学(北京) 化学与环境工程学院,北京,100083) 2(中国食品发酵工业研究院,北京,100015)3(全国食品发酵标准化中心,北京,100015)
樊双喜(1989-),男,在读博士研究生,研究方向核磁共振分析研究技术。E-mail:fanshuangxi001@foxmail.com。注:樊双喜和钟其顶为本文的共同第一作者

网络出版日期: 2018-03-16

基金资助

国家自然科学基金(31601553和31601580);北京市科技新星计划(xx2016B079);科技部“十三五”重大科技计划(2016YFF0203903);欧盟地平线2020(635690-OLEUM-2020-SFS-2014-2015);科技部国际合作项目(2015DFA31720)

Verifcation of the geographical origin of Chinese wines based on non-targeted1H NMR fngerprinting

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  • 1(School of Chemical and Environmental Engineering,China University of Mining and Technology (Beijing), Beijing, 100083) 2(China National Institute of Food and Fermentation Industries, Beijing, 100015) 3(National Standardization Center of Food and Fermentation Industry, Beijing, 100015)

Online published: 2018-03-16

摘要

为了探讨非目标指纹图谱技术验证中国葡萄酒原产地的可行性,本研究采用一维核磁共振氢谱(1H NMR)技术快速测定方法,对沙城、昌黎和昌吉三大特色原产地葡萄酒224个进行分析。结果表明,主成分分析(principal component analysis, PCA)结合线性判别分析(linear discriminant analysis, LDA)建立的留一交叉验证模型,实现对沙城、昌黎和昌吉葡萄酒原产地样品准确识别率为92%,73%,68%;为避免PCA/LDA模型出现过拟合现象,采用外部重复双随机交叉验证方法对PCA/LDA模型的有效性进行验证。研究发现葡萄酒1H NMR指纹图谱包含葡萄酒原产地特征信息,通过多变量统计分析技术可以构建非目标1H NMR指纹图谱的中国葡萄酒产地验证技术模型。

本文引用格式

樊双喜 , 钟其顶 , 黄占斌 , 等 . 基于非目标1H NMR 指纹图谱技术验证中国葡萄酒原产地[J]. 食品与发酵工业, 2018 , 44(2) : 187 . DOI: 10.13995/j.cnki.11-1802/ts.016286

Abstract

This study investigated the feasibility of discriminating Chinese wines from different geographical origins using non-targeted1H NMR fingerprinting, 224 wine samples from three distinctive geographical origins (Shacheng, Changli and Changji) were measured. Principal component analysis (PCA) combined with linear discriminant analysis (LDA) using internal leave one-out cross validation were employed to establish the discrimination model of the three geographical origins. Accurate classification rates for the wine samples of Shacheng, Changli and Changji were 92%, 73%, 68%, respectively. In order to avoid the overfitting, repeated double random cross validation methods was used to verify the validity of the PCA/LDA model. This study suggested that1H NMR fingerprinting of wines contained the geographical origin feature information, the non-targeted1H NMR fingerprinting model for verifying Chinese wines based on their geographical origins could be constructed by multivariate statistical analysis technology.
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