基于色谱二维数据的鼎药方术归姜与其药对相关成分的化学计量学分析

Analysis of related volatile constituents in triherbal recipe atractylodes macrocephala-angelica sinensis-zingiber officinale rosc by hyphenated chromatographic data and chemometric resolution method

运用GC-MS联用仪测定鼎药方术归姜及其药对挥发油化学成分,采用交互移动窗口因子法对其共有组分进行比较分析,结合直观推导式演进特征投影法对重叠峰进行分辨,应用质谱库相似度匹配和计算保留指数对各组分进行定性,采用总体积积分法定量。研究结果表明:对鼎药方术归姜、药对归姜、药对术姜和药对术归分别鉴定出35,73,41和58个组分,其体积分别占挥发油总体积的90.16%,95.56%,92.78%和96.16%;鼎药方中有5种组分来自于药对归姜,有3种组分来自于药对术归,与3个药对共有组分5种。

Analysis of volatile components in triherbal recipe atractylodes macrocephala-angelica sinensis-zingiber officinale(AAZ),herbal pair atracylodes macrocephala-angelica sinensis(AA),herbal pair angelica sinensis-zingiber officinale(AZO)and herbal pair atractylodes macrocephala-zingiber officinale(AZ)were 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,35,73,41 and 58 volatile chemical components in essential oil of AAZ,AZO,AZ and AA were determined qualitatively and quantitatively,accounting for 90.16%,95.56%,92.78%and 96.16%total contents of essential oil of AAZ,AZO,AZ and AA,respectively.There are 5 active constituents coming from herbal pair AZO in triherbal recipe,and 3 active constituents coming from herbal pair AA in triherbal recipe,and there are 5 common active constituents among them.