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红外光谱和聚类分析法无损快速鉴别赤芍
引用本文:董彬,孙素琴,周红涛,胡世林.红外光谱和聚类分析法无损快速鉴别赤芍[J].光谱学与光谱分析,2002,22(2):232-234.
作者姓名:董彬  孙素琴  周红涛  胡世林
作者单位: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
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,由于野生与野生与栽培赤芍的红外提纹图谱变异度较大,其光谱聚类的结果较理想,盲样检测的正确可达90%,由于不同产地的赤芍的红外指纹图谱异度较小,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。

关 键 词:红外光谱  聚类分析法  赤芍  无损鉴别  盲样  中药材
文章编号:1000-0593(2002)02-0232-03
修稿时间:2001年10月30

Rapid and Undamaged Determination of Chishao by Fourier-transform Infrared Spectroscopy and Clustering Analysis
DONG Bin ,SUN Su qin ,ZHOU Hong tao ,and HU Shi lin School of Mathematical Science,Peking University,Beijing ,China The.Rapid and Undamaged Determination of Chishao by Fourier-transform Infrared Spectroscopy and Clustering Analysis[J].Spectroscopy and Spectral Analysis,2002,22(2):232-234.
Authors:DONG Bin  SUN Su qin  ZHOU Hong tao  and HU Shi lin School of Mathematical Science  Peking University  Beijing  China The
Institution:DONG Bin 1,SUN Su qin 2,ZHOU Hong tao 3,and HU Shi lin 3 1 School of Mathematical Science,Peking University,Beijing 100871,China 2 The Department of Chemistry,Tsinghua University,Beijing 100084,China 3 Chinese Academe of Traditional Chi
Abstract: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.
Keywords:Fingerprint infrared spectrum  Clustering analysis  Undamaged determination  Chishao  Blind sample
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