温郁金和桂郁金红外光谱的SIMCA聚类鉴别方法研究  

Identification of Curcuma wenyujin Y.H.Chen et C.Ling and Curcuma kwangsiensis S.G. Lee et C.F. Liang by IR and SIMCA Clustering Analysis

作　　者：郭昊[1] 杜伟锋[1] 蔡宝昌[1,2] 丛晓东[1] 葛卫红[1] 

机构地区：[1]浙江中医药大学中药炮制技术中心,浙江杭州311401 [2]南京中医药大学江苏省中药炮制重点实验室,江苏南京210049

出　　处：《中药新药与临床药理》2013年第3期300-303,共4页Traditional Chinese Drug Research and Clinical Pharmacology

基　　金：卫生部科学研究基金(WKJ2010-2-019);浙江省中医药科学研究基金计划(2012ZB032);浙江省教育厅科研计划(Y201224449)

摘　　要：目的以温郁金和桂郁金的红外光谱为聚类分析对象，研究红外光谱结合（Soft independent modeling of classanalogy，SIMCA）聚类分析法对温郁金和桂郁金进行识别与分类的可行性。方法以4000—650cm^-1范围内的红外光谱为对象，通过基线补偿（Offset）和散射校正（MSC）等预处理后，采用SIMCA聚类分析法建立识别模型。结果所建模型对温郁金和桂郁金的识别率分别达到97％和98％，拒绝率均为100％。对所建模型测试结果正确。结论该方法可实现对温郁金和桂郁金的快速鉴别。Objective With the infrared spectrum of Curcuma wenyujin Y.H. Chert et C. Ling and Curcuma kwangsiensis S.G. Lee et C.F. Liang as the object, the feasibility of identification and classification of Curcuma wenyujin Y.H. Chert et C. Ling and Curcuma kwangsiensis S.G. Lee et C.F. Liang was studied by using infrared spetroscopy coupled with SIMCA （soft independent modeling of classanalogy） pattern recognition method. Methods In the spectra region between 4000 - 650 cm^-1, two models of Curcuma wenyujin Y.H. Chert et C. Ling and Curcuma kwangsiensis S.G. Lee et C.F. Liang were built separately after preprocessing by baseline correction（offset） and muhiplicative scatter correction （MSC） with SIMCA pattern recognition method. Results The result showed that the recognition rate was 97 % for Curcuma wenyujin Y.H.Chen et C.Ling and was 98 % for Curcuma kwangsiensis S.G.Lee et C.F.Liang, and the rejection rate of them both was 100 %. The method was tested in the blind samples, and satisfactory results were achieved. Conclusion Curcuma wenyujin Y.H.Chen et C. Ling and Curcuma kwangsiensis S.G. Lee et C.F. Liang could be identified rapidly by the combination of IR fingerprint spectrum and clustering analysis.

关 键 词：郁金 红外光谱法 SIMCA聚类分析 无损鉴别 

分 类 号：R284.1[医药卫生—中药学]