Characterization of Paris polyphylla var. yunnanensis by Infrared and Ultraviolet Spectroscopies with Chemometric Data Fusion

文献类型： 外文期刊

第一作者： Yang, Yuangui

作者： Yang, Yuangui;Wang, Yuanzhong

作者机构：

关键词： Chemometrics; data fusion; Fourier transform infrared spectroscopy; Paris polyphylla var; yunnanensis; ultraviolet spectroscopy

期刊名称：ANALYTICAL LETTERS （ 影响因子：2.329； 五年影响因子：1.738 ）

ISSN： 0003-2719

年卷期： 2018 年 51 卷 11 期

页码：

收录情况： SCI

摘要： Paris polyphylla var. yunnanensis has been used for its anti-tumor, anthelmintic, and hemostatic properties. In this investigation, Fourier transform infrared and ultraviolet spectroscopy combined with chemometrics were used for qualitative analysis of P. polyphylla var. yunnanensis from different geographical origins in Yunnan Province. A total of 82 samples for each region were divided into 57 in the calibration set and 25 in the validation set by Kennard-Stone algorithm. Support vector machine and partial least square discrimination on the basis of Fourier transform infrared, ultraviolet, and low- and mid-level data fusion were investigated. Different pretreatments were compared for the appropriate model. The results indicated that the combination of Savitzky-Golay (11 points), second derivative, and standard normal variation has the best performance for support vector machine and partial least square discrimination with the lowest root mean square error of estimation and root mean square error of cross validation and the highest cross validation accuracy rate. The accuracies of calibration and validation for mid-level data fusion in the model of support vector machine were 84.21 and 96% for the partial least square discrimination values of 96.49 and 84%, which was better performance than a single technique or low-level data fusion for the classification. Moreover, the chemical information of sample collected from Kunming and Xishuangbanna was distinguishable from the others. These results provide a rapid and robust strategy for quality control of P. polyphylla var. yunnanensis for further analysis.

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