[傅里叶变换红外光谱法和聚类分析法鉴别牻牛儿苗科十一种中草药属]

[Discrimination of eleven genera of Chinese herbs in Geraniaceae by FTIR spectroscopy and clustering analysis].

作者信息

Sun Ren-Shuang, Jin Zhe-Xiong, Zhang Zhe-Peng, Xu Chang-Hua, Zhou Qun, Sun Su-Qin

机构信息

Center of Research and Development on Life Sciences and Environment Sciences, Harbin University of Commerce, Harbin 150076, China.

出版信息

Guang Pu Xue Yu Guang Pu Fen Xi. 2013 Feb;33(2):371-5.

PMID:23697114

Abstract

A fast identification method of eleven genera of Chinese herbs in Geraniaceae was developed by the combination of Fourier transform infrared spectroscopy with clustering analysis. FTIR spectroscopy was employed to identify and analyze eleven genera of Chinese herbs in Geraniaceae. On the basis of a principal component analysis (PCA) model, three genera of Chinese herbs were rapidly classified by using the method of SIMCA clustering analysis. These samples could be successfully classified by SIMCA. Recognition rate and rejection rate reached up to 98%. The accuracy of clustering reached up to 91% during blind sample testing. It is concluded that in combination with clustering analysis, FTIR method provides an effective way to rapidly evaluate Chinese herbs in Geraniaceae.

摘要

通过傅里叶变换红外光谱法与聚类分析相结合，开发了一种快速鉴定牻牛儿苗科11属中草药的方法。采用傅里叶变换红外光谱法对牻牛儿苗科11属中草药进行鉴定和分析。基于主成分分析（PCA）模型，利用软独立建模类比法（SIMCA）聚类分析方法对3属中草药进行了快速分类。这些样品能够被SIMCA成功分类。识别率和拒识率高达98%。在盲样测试中，聚类准确率高达91%。得出结论，傅里叶变换红外光谱法结合聚类分析为快速评价牻牛儿苗科中草药提供了一种有效方法。