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基于~1H NMR指纹图谱结合多变量分析的地沟油检测方法
引用本文:蔡波太,袁龙飞,周影,许秀丽,杨总,刘庆菊,黄金成,仲维科,王二强,何裕建.基于~1H NMR指纹图谱结合多变量分析的地沟油检测方法[J].中国科学B辑,2013(5):558-567.
作者姓名:蔡波太  袁龙飞  周影  许秀丽  杨总  刘庆菊  黄金成  仲维科  王二强  何裕建
作者单位:[1]中国科学院大学化学与化学工程学院,北京100049 [2]北京大学天然药物及仿生药物国家重点实验室,北京100191 [3]中国检验检疫科学研究院,北京100123
摘    要:地沟油事件是中国近期发生的严重食品安全事故,而针对地沟油的检测目前尚无非常有效的方法报道.本研究对60种市售植物油和地沟油样品分别进行了核磁H谱测定,建立了12个鉴别指标,采用聚类分析技术对样品进行聚类分析,并将样品分为8大类,建立了判别函数.将未知样品的1H NMR数据代入判别函数,可检测和判别未知油的来源和品质.将该方法应用于两次盲测共69个样品,结果显示,两次盲测的正确率分别为91.9%和93.8%,可作为食用油品质检测的重要参考.

关 键 词:地沟油  1HNMR  指纹图谱  聚类分析  判别分析

Identification of illegal cooking oils by using ^1H NMR fingerprintscombined with multivariate analysis
CAI BoTai,YUAN LongFei,ZHOU Ying,XU XiuLi,YANG Zong,LIU QingJu,HUANG JinCheng,ZHONG WeiKe,WANG ErQiang,HE YuJian.Identification of illegal cooking oils by using ^1H NMR fingerprintscombined with multivariate analysis[J].Science in China(Series B),2013(5):558-567.
Authors:CAI BoTai  YUAN LongFei  ZHOU Ying  XU XiuLi  YANG Zong  LIU QingJu  HUANG JinCheng  ZHONG WeiKe  WANG ErQiang  HE YuJian
Institution:1 College of Chemistry and Chemical Engineering, Graduate University of Chinese Academy of Sciences, Beijing 100049, China 2 State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100191, China 3 Chinese Academy of Inspection and Quarantine, Beijing 100123, China *Corresponding authors (email: zhongweike@caiqtest.com; heyujian@gucas.ac.cn)
Abstract:Illegal cooking oil incident is a serious food safety problem happened in China recently. There are still no efficient methods for illegal cooking oil identification. In this paper, 60 kinds of oils were detected by ^1HNMR, and 12 identification indicators were found. Based on those 12 fingerprintings, 60 kinds of oils could be divided into 8 categories by using cluster analysis. According to the 8 categories, discriminant function was established. When the unknown sample's 1H NMR data were put into those functions, the discriminant analysis of the unknown samples could be done to identify the origin of the unknown oil samples. This method was applied twice in blind tests, and the results showed that the correct rate of the two blind tests were 91.9% and 93.8% respectively.
Keywords:illegal cooking oil  1H NMR  fingerprints  cluster analysis  discriminant analysis
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