红外光谱和聚类分析法无损快速鉴别赤芍  

Rapid and Undamaged Determination of Chishao by Fourier-transform Infrared Spectroscopy and Clustering Analysis

作　　者：董彬[1] 孙素琴[2] 周红涛[3] 胡世林[3] 

机构地区：[1]北京大学数学科学学院,北京100871 [2]清华大学化学系,北京100084 [3]中国中医研究院中药研究所,北京100700

出　　处：《光谱学与光谱分析》2002年第2期232-234,共3页Spectroscopy and Spectral Analysis

摘　　要：以赤芍的红外指纹图谱作为聚类分析的对象 ,在建立主成分模型的基础上 ,采用SIMCA聚类分析法对赤芍进行了快速的分类研究。结果表明 :由于野生与栽培赤芍的红外指纹图谱变异度较大 ,其光谱聚类的结果较理想 ,盲样检测的正确率可达 90 % ;由于不同产地的赤芍的红外指纹图谱变异度较小 ,进行聚类分析后用盲样检测 ,正确率为 75 % ,对于变异度较小的样品 ,若要提高识别的置信度 ,需增加样品的数目和采样的代表性。总之 ,红外指纹图谱与聚类分析法相结合可以快速鉴别药材的道地性。On the basis of building a model of main components and with the fingerprint infrared spectrum as the object, Chishao was rapidly classified and closely studied by using the method of clustering analysis. Because of the greater difference between the spectra of wild Chishao and those of the cultivated, the outcome of the clustering is ideal. When testing with the blind samples (which were picked out from the chosen samples) the accuracy of clustering reaches up to 90%, while, because of the lesser difference among the spectra of Chishao collected from different producing areas in China, the accuracy of clustering is only 75%. In order to increase the clustering accuracy, the number of the samples should be increased and also these samples should be more characteristic. On the whole, with the combination of the fingerprint infrared spectrum and the clustering analysis, the genuineness of herbal medicines can be discriminated rapidly.

关 键 词：红外光谱 聚类分析法 赤芍 无损鉴别 盲样 中药材 

分 类 号：R282.71[医药卫生—中药学]