AMWFA法结合HELP法在中药复杂体系中的应用

摘要

采用交互移动窗口因子分析法(AMWFA)对2个体系中的2组二维数据片段进行比较分析,得到2组二维数据片段中的共有组分;采用直观推导式演进特征投影法(HELP),利用二维矩阵数据包含的色谱/光谱信息和局部因子分析以分辨出各组分的纯色谱曲线和光谱,得到具有真实物理意义的唯一解.将AMWFA和HELP相结合,对中药复杂体系药对桂枝-荆芥进行解析.研究结果表明:AMWFA和HELP相结合能鉴定出药对与桂枝、荆芥的组分数分别为50,53和49个,各占挥发油总体积分数的91.87％,86.25％和92.86％;药对与桂枝共有26个组分,与荆芥共有22个组分,产生两单味药中没有的6个新成分;采用AMWFA法结合HELP法能最大程度且准确地完成中药复杂未知体系的鉴定.%Analysis of volatile components in herbal pair Ramulus Cinnamomi-Herba Schizonepetae (RC-HS),single herb RC and HS was performed with two-dimensional gas chromatography-mass spectrometry (GC/MS) data coupled with alternative moving window factor analysis (AMWFA) and heuristic evolving latent projections (HELP).The results show that by means of these methods of two-dimensional data,50,53 and 49 volatile chemical components in essential oil of HP RC-HS,RC and HS were determined qualitatively and quantitatively,accounting for 91.87％,86.25％ and 92.86％ total volume fraction of essential oil of HP RC-HS,RC and HS,respectively.There are 26 common active constituents between HP RC-HS and single herb RC,and 22 common active constituents between HP RC-HS and single herb HS.The number of volatile chemical components in RC-HS is the result of synthesis effect from the two single herbs.Analysis of the complicated system of Chinese medicine can be performed with alternative moving window factor analysis and heuristic evolving latent projections.