线性判别分析
主成分分析
感应耦合等离子体
化学计量学
电感耦合等离子体质谱法
等离子体原子发射光谱
偏最小二乘回归
质谱法
模式识别(心理学)
层次聚类
人工智能
化学
分析化学(期刊)
人工神经网络
聚类分析
数学
统计
计算机科学
色谱法
物理
等离子体
量子力学
作者
Honglin Liu,Yi‐tao Zeng,Xin Zhao,Huarong Tong
摘要
BACKGROUND There is an urgent need to strengthen the testing and certification of geographically iconic foods, as well as to use discriminatory science and technology for their regulation and verification. Multi-element and stable isotope analyses were combined to provide a new chemometric approach for improving the discrimination tea samples from different geographical origins. Different stoichiometric methods [principal component analysis (PCA), hierarchical cluster analysis (HCA), partial least squares-discriminant analysis (PLS-DA), back propagation based artificial neural network (BP-ANN) and linear discriminant analysis (LDA)] were used to demonstrate this discrimination approach using Yongchuanxiuya tea samples in an experimental test. RESULTS Multi-element and stable isotope analyses of tea samples using inductively coupled plasma mass spectrometry and inductively coupled plasma optical emission spectrometry easily distinguished the geographical origins. However, the clustering ability of the two unsupervised learning methods (PCA and HCA) were worse compared to that of the three supervised learning methods (PLS-DA, BP-ANN and LDA). BP-ANN and LDA, with 100% recognition and prediction abilities, were found to be better than PLS-DA. 86Sr and 112Cd were the markers enabling the successful classification of tea samples according to their geographical origins. Under the validation by 'blind' dataset, the prediction accuracies of the BP-ANN and LDA methods were all greater than 90%. The LDA method showed the best performance, with an accuracy of 100%. CONCLUSION In summary, determination of mineral elements and stable isotopes using inductively coupled plasma mass spectrometry and inductively coupled plasma optical emission spectrometry techniques coupled with chemometric methods, especially the LDA method, is a good approach for improving the authentication of a diverse range of tea. The present study contributes toward generalizing the use of fingerprinting mineral elements and stable isotopes as a promising tool for testing the geographic roots of tea and food worldwide. © 2020 Society of Chemical Industry
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