一类用化学指纹特征鉴别中药材真伪的方法

高等学校化学学报 ›› 2003, Vol. 24 ›› Issue (12): 2181.

一类用化学指纹特征鉴别中药材真伪的方法

陈闽军, 瞿海斌, 程翼宇

浙江大学药物信息学研究所, 杭州 310027

收稿日期:2002-08-12 出版日期:2003-12-24 发布日期:2003-12-24
通讯作者: 程翼宇(1958年出生),男,博士,教授,博士生导师,从事药物分析学及化学信息学研究.
基金资助:
国家自然科学基金(批准号:39870940,20245002);国家“十五”重大科技攻关项目(批准号:2001BA201A01);国家重点基础研究发展规划项目(批准号:G1999054405)资助

Identifying the Authenticity of Chinese Medicinal Material with Chemical Fingerprint Features

CHEN Min-Jun, QU Hai-Bin, CHENG Yi-Yu

PharmaceuticaLInformatics Institute, Zhejiang University, Hangzhou 310027, China

Received:2002-08-12 Online:2003-12-24 Published:2003-12-24

摘要/Abstract

摘要： 提出用Fisher因子表征中药材质量模式,根据类间距离最大、类内距离最小原则,计算色谱图中各峰的权值,并以各峰权值为变换向量从各峰面积值中计算出Fisher因子,用于中药材质量模式分类.以红参主根的真伪鉴别为实例,从定量评价、目视比较和聚类分析等方面将Fisher因子、主成分及指纹峰进行分类效果对比研究.结果表明,Fisher因子能更好地表征红参化学模式特征,分类准确性最高.因此,用本文方法提取的Fisher因子是一类能表征中药材质量模式的化学指纹特征参量,适宜用作鉴别中药材真伪.

关键词: 化学指纹图谱分析, 化学指纹特征, 中药材质量评价

Abstract: Amethod for identifying the authenticity of Chinese Medicinal Material(CMM), using Fisher factor(FF) as chemical fingerprint features, is proposed. According to the principle of maximizing the distance among classes and minimizing the distance within classes, the weights of different peaks in chromatograms are calculated, and then a transformation vector is composed by these weights. FF can be obtained by multiplying the transformation vector with the vector composed of the area values of every peak selected based on user's threshold. As a typical example, identifying the authenticity of the main root of red ginseng was used to verify the effectivity of the proposed method. Comparing FFs with principal components and chromatographic peaks from three aspects of the quantitative evaluation, visual analysis and cluster analysis, it is shown that FFhas the highest accuracy in identifying the authenticity of the main root of red ginseng. Therefore, as a chemical fingerprint feature, FFcan be used to identify the authenticity of CMM.

Key words: Chemical fingerprinting analysis, Chemical fingerprint feature, Quality evaluation of Chinese Medicinal Material

中图分类号:

O652.7

TrendMD:

陈闽军, 瞿海斌, 程翼宇. 一类用化学指纹特征鉴别中药材真伪的方法. 高等学校化学学报, 2003, 24(12): 2181.

CHEN Min-Jun, QU Hai-Bin, CHENG Yi-Yu . Identifying the Authenticity of Chinese Medicinal Material with Chemical Fingerprint Features. Chem. J. Chinese Universities, 2003, 24(12): 2181.