化学计量学方法用于甘草和芫花及其药对的挥发性成分分析

Analysis of Volatile Components in Glycyrrhiza uralensis and Daphne genkwa and Their Drug-pair by Chemometric Methods

目的:分析甘草和芫花单味药材及其药对的挥发性成分。方法:以正十四烷为内标,采用气相色谱-质谱联用技术对甘草、芫花的单味药材及其组成的药对的挥发性成分进行测定,利用多种化学计量学方法对产生的二维色谱/质谱数据同时进行分辨和解析,获取各个组分的纯色谱曲线和纯质谱,根据分辨得到的纯质谱在质谱库中进行相似检索以实现对组分的定性。利用转换移动窗口因子分析法对组合前后的成分进行归属分析,采用面积归一化法进行定量。结果:分别在甘草、芫花及其药对中鉴定出34、41和68个成分,占各自挥发油成分的90%、84%和75%。药对中挥发性成分的相对含量与单味药比较差异较大。结论:本试验结果可为中药配伍的研究提供较为重要的依据。

OBJECTIVE：To analyze the volatile components in Glycyrrhiza uralensis and Daphne genkwa and their drug-pair.METHODS：With tetradecane as internal standard,the volatile components in G.uralensis and D.genkwa and their drug-pair were determined by GC/MS technique.Multiple chemometric methods were used to identify and analyze two dimension chromatograms/mass spectrum in order to obtain pure GC curves and pure MS of each component.The quality of components was identified through pure MS similarity retrieval.The attributions of components were analyzed by transform and subwindow factor analysis before and after compatibility,and quantitative study was conducted by peak area normalization method.RESULTS：34,41,68 components were qualitatively identified in G.uralensis and D.genkwa and their drug-pair,representing about 90%,84%,75% of volatile oil of them,respectively.Relative contents of volatile components in drug-pair were greatly different from those of single ingredient.CONCLUSION：Results of study can provide important basis for the research of TCM compatibility.