顶空-气相色谱-离子迁移谱技术结合化学模式识别分析远志属6种药用植物的挥发性成分种类和差异

Analysis of types and differences volatile components in six medicinal plants of genus Polygala based on headspace-gas chromatography-ion migration spectrometry combined with chemical pattern recognition

目的揭示远志属中6种药用植物的挥发性成分种类和差异,为远志属药用植物的快速、准确鉴别提供参考。方法采用顶空-气相色谱-离子迁移谱(HS-GC-IMS)对远志属6种药用植物远志Polygala tenuifolia,卵叶远志P.sibirica,瓜子金P.japonica,黄花倒水莲P.fallax,小花远志P.arvensis和华南远志P.glomerata干燥根中的挥发性成分进行分析,结合主成分分析(principal component analysis,PCA)、偏最小二乘法-判别分析(partial least squares-discriminant analysis,PLS-DA)和聚类分析等化学模式识别方法,以数据可视化的形式解析远志属6种药用植物中挥发性有机物的差异性。结果HS-GCIMS共获得远志属6种药用植物中90个特征信号,定性鉴别出76种,包括38种醛类、10种醇类、10种酯类、9种酮类以及呋喃类等其他成分9种。其中,醇类和酮类成分数目最多的为华南远志,分别为8种和6种;醛类和酯类成分数目最多的为小花远志,分别为36种和9种。PCA、PLS-DA和聚类分析均能将远志属6种药用植物区分开来。聚类热图结果表明,筛选出的2-甲基丁酸丁酯、水杨酸甲酯等14种特征挥发性成分可作为鉴别远志属6种药用植物的标志物。结论HS-GCIMS技术结合化学模式识别能够鉴定及可视化远志属6种药用植物中的挥发性成分及其差异,为远志属不同药用植物的区分和鉴定提供参考。

Objective To reveal the types and differences of volatile components in six medicinal plants of the genus Polygala,and provide a reference for the rapid and accurate identification of medicinal plants of the genus Polygala.Methods Headspace-gas chromatography-ion migration spectrometry(HS-GC-IMS)was used to analyze the volatile components in six medicinal plants of the genus Polygala,including P.tenuifolia,P.sibirica,P.japonica,P.fallax,P.arvensis and P.glomerata.Then,combined with chemical pattern recognition such as principal component analysis(PCA),partial least squares-discriminant analysis(PLS-DA),and cluster analysis,to resolve the differences of volatile components of the six medicinal plants in the genus Polygala in the form of data visualization.Results A total of 90 characteristic signals were obtained from HS-GC-IMS in six medicinal plants of the genus Polygala,and 76 species were qualitatively identified,including 38 aldehydes,10 alcohols,10 esters,9 ketones,and 9 other constituents such as furans.Among them,the highest numbers of alcohols and ketones were found in P.glomerata,with eight and six species,respectively.The highest numbers of aldehydes and esters were found in P.arvensis,with 36 and 9 species,respectively.PCA,PLS-DA and cluster analysis were able to distinguish the six medicinal plants in the genus Polygala.The clustering heat map results indicated that the 14 characteristic volatile components screened,such as butyl 2-methylbutyrate and methyl salicylate,could be used as markers to identify the six medicinal plants of the genus Polygala.Conclusion The HS-GC-IMS technique combined with chemical pattern recognition was able to identify and visualize the volatile components and their differences in the six medicinal plants of the genus Polygala,which is suitable for the differentiation and identification of different medicinal plants of the genus Polygala.