转换移动窗口因子分析法用于中药组合前后成分变化分析

Analysis of Component Change in Glycyrrhiza and Euphorbia Kansui Lion Before and After They Form a Mixture

以正十四烷为内标,采用气相色谱-质谱(GC/MS)联用技术对中药甘草(GUF)、甘遂(EKL)单味药材,以及其组成的药对(GUF-EKL)的挥发成分进行测定,基于一种新的化学计量学方法——转换移动窗口因子分析法(AMWFA)和直观推导式演进特征投影法(HELP)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AMWFA对组合前后的成分进行归属分析,然后采用面积归一法进行定量。分别在甘草、甘遂及其药对中鉴定出52、51和63个成分,占各自挥发油成分的84%、90%和75%。

Adopting GC/MS technique, the essential oil of an imcompatible drug pair： Glycyrrhiza uralensis Fisch and Euphorbia kansui Lion and its single herbal medicine were investigated with tetradecane as internal standard and the help of a new chemometric method alternative moving window factor analysis （AMWFA） and heuristic evolving latent projections （HELP）. 64,52,51 components were qualitatively and quantitatively analyzed by matching the resolved mass spectra in NIST bank and normalization of peak area, representing about 75% ,84% ,90% of the total content in GUF-EKL, GUF and EKL, respectively. In the same time, components in the drug pair and its single herbal medicine were compared by AMWFA.