基于主成分分析及偏最小二乘判别算法分析瓜蒌蒸制前后化学成分的变化  

Analysis of the changes in the chemical components in Fructus Trichosanthes,before and after the processing of steaming,based on the PCA and PLS-DA algorithms

作　　者：邹纯才 宗倩妮 鄢海燕 

机构地区：[1]皖南医学院药学院,芜湖241002

出　　处：《国际药学研究杂志》2017年第10期984-987,共4页Journal of International Pharmaceutical Research

基　　金：安徽高校省级自然科学研究重大项目(KJ2015ZD41;KJ2016SD60);安徽省科技攻关项目(12010402089);国家大学生创新创业训练计划项目(201610368029)

摘　　要：目的分析瓜蒌蒸制前后化学成分的变化,以期阐释瓜蒌蒸制前后药效差异的物质基础。方法采用中药色谱指纹图谱相似度评价系统获取瓜蒌及蒸制瓜蒌的峰匹配数据,利用SIMCA-P 11.0统计软件进行主成分分析(PCA)及偏最小二乘判别分析(PLS-DA),建立瓜蒌蒸制前后PCA模型和PLS-DA模型,获取得分图和载荷图及VIP值,筛选瓜蒌蒸制前后主要差异成分的信息。结果构建了PCA(R2X=0.96,Q2=0.552)和PLS-DA(R2Y=0.917,Q2=0.579)模型,筛选出色谱峰峰面积有显著差异的8个色谱峰,其中2个色谱峰分别为5-羟甲基糠醛和香草酸,5-羟甲基糠醛的VIP值最大。瓜蒌蒸制后有一未知成分生成,成分待鉴定。结论瓜蒌蒸制前后部分化学成分的含量发生改变,且有一新物质生成。5-羟甲基糠醛和香草酸可能为瓜蒌蒸制后药效改变的物质基础。Objective To analyze the changes in the chemical components in Fructus Trichosanthes before and after the processing of steaming,so as to explore the material basis of the pharmacodynamic changes between Trichosanthes and steamed Trichosanthes. Methods The peaks matching data of Fructus Trichosanthes and steamed Fructus Trichosanthes were obtained by using the similarity evaluation system for chromatographic fingerprints of traditional Chinese materia medica. The principal component analysis（PCA）model and the partial least squares discriminant analysis（PLS-DA）model for the analysis of the Fructus Trichosanthes and steamed Fructus Trichosanthes data were established using the SIMCA-P 11 statistical software for PCA and PLS-DA,from which the score chart,load chart and Variable Importance（VIP）value were obtained,so as to identify the main different components in Fructus Trichosanthes and steamed Fructus Trichosanthes. Results The PCA（R2 X=0.96,Q2=0.552）model and PLS-DA（R2 Y=0.917,Q2=0.579）model were established,and 8 chromatographic peaks with significant difference in peak area were selected. Among them,two of the chromatographic peaks were assigned to be 5-hydroxy methyl furfural and vanilla acid,and 5-hydroxy methyl furfural had the largest VIP value. In addition,an unknown component was also found in the steamed Fructus Trichosanthes,which was generated in the process of steaming and needed to be identified in future studies. Conclusion The content of some chemical components in Fructus Trichosanthes were changed after the process of steaming,and the processing of steaming also caused the formation of an unknown chemical component. 5-Hydroxy methyl furfural and vanillic acid seem to be a likely choice for exploring the material basis of the pharmacodynamic changes in Fructus Trichosanthes after the processing of steaming.

关 键 词：主成分分析法 偏最小二乘判别分析法 瓜蒌 蒸制瓜蒌 化学成分 

分 类 号：R284.1[医药卫生—中药学]