牻牛儿苗科11种中药材红外光谱鉴定及聚类分析  

Discrimination of Eleven Genera of Chinese Herbs in Geraniaceae by FTIR Spectroscopy and Clustering Analysis

作　　者：孙仁爽[1] 金哲雄[1] 张哲鹏[1] 许长华[2] 周群[2] 孙素琴[2] 

机构地区：[1]哈尔滨商业大学生命科学与环境科学研究中心,黑龙江哈尔滨150076 [2]清华大学化学系,北京100084

出　　处：《光谱学与光谱分析》2013年第2期371-375,共5页Spectroscopy and Spectral Analysis

基　　金：国家自然科学基金项目(21075076)资助

摘　　要：结合傅里叶变换红外光谱技术与聚类分析法,建立牻牛儿苗科11种中药材的快速鉴别方法。采用傅里叶变换红外光谱法鉴别牻牛儿苗科11种中药材;在建立主成分分析模型的基础上,采用SIMCA聚类分析法对三种中药材进行了快速的分类研究。红外光谱结合聚类分析技术对牻牛儿苗科中药材聚类结果较理想,识别率和拒绝率达到98%以上,盲样的预测率达到91%。红外光谱与聚类分析法相结合可以快速、无损识别牻牛儿苗科中药材。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.

关 键 词：牻牛儿苗科 红外光谱 聚类分析 品种鉴别 

分 类 号：O657.3[理学—分析化学]