基于HS-GC-MS技术结合ROAV研究荆芥不同炮制品挥发性成分的变化

    Study on the Changes in Volatile Components of Different Processed Schizonepetae Herba Using HS-GC-MS Technology Combined with ROAV

    • 摘要:
      目的  基于顶空进样-气相色谱-质谱联用(headspace-gas chromatography-mass spectrometry,HS-GC-MS)技术,整合相对气味活度值(relative odor activity values,ROAV)和多元统计分析,研究荆芥不同炮制品挥发性成分组成及炮制对它们的影响。
      方法  采用炒黄法和炒炭法对荆芥进行炮制,分别得到14批荆芥、炒荆芥和荆芥炭。基于HS-GC-MS分析获取上述样品的挥发性成分信息。利用主成分分析(principal component analysis,PCA)、正交偏最小二乘-判别分析 (orthogonal partial least squares-discriminant analysis,OPLS-DA)等化学计量学方法以及ROAV,对荆芥不同炮制品的挥发性成分的差异性进行研究。
      结果  与荆芥相比,炒荆芥中10个成分消失,28个成分的相对含量增加,6个成分的相对含量降低;荆芥炭中17个成分消失,15个成分的相对含量增加,14个成分的相对含量降低。与炒荆芥相比,荆芥炭有18个成分消失,17个成分的相对含量增加,9个成分的相对含量降低。通过PCA、OPLS-DA等化学计量学方法,成功对荆芥、炒荆芥和荆芥炭进行了区分,显示薄荷酮、3-糠醛、香芹酮、胡薄荷酮、(R)-3-甲基环己酮、丙酮醇、异-薄荷酮和苯甲醛等8种成分的相对含量存在差异,是三者的主要差异性成分;结合ROAV确定苯甲醛、薄荷酮、胡薄荷酮、异薄荷酮和香芹酮为三者的差异关键香气成分,其中香芹酮对荆芥的香气贡献较大,胡薄荷酮对炒荆芥的香气贡献较大,苯甲醛对荆芥炭的香气贡献较大。
      结论  HS-GC-MS结合ROAV技术,可用于明确荆芥、炒荆芥和荆芥炭挥发性成分的差异,为后续建立荆芥及其炮制品的专属性质量控制标准和临床应用提供有力的参考。

       

      Abstract:
      OBJECTIVE To investigate the volatile component composition of different processed Schizonepetae Herba(SH) and the impact of processing on these components, based on headspace-gas chromatography-mass spectrometry(HS-GC-MS) technology, integrating relative odor activity values(ROAV) and multivariate statistical analysis.
      METHODS SH was processed using stir-baking to yellow and stir-baking until charred methods, resulting in 14 batches of SH, stir-fried SH(SFSH), and SH Carbonisata(SHC). Volatile component information of these samples was obtained through HS-GC-MS analysis. Chemometric methods such as principal component analysis(PCA), orthogonal partial least squares-discriminant analysis(OPLS-DA) and ROAV were employed to study the differences in volatile components among the different processed SH.
      RESULTS Compared with SH, SFSH exhibited the disappearance of 10 components, an increase in the relative content of 28 components, and a decrease in the relative content of 6 components; in SHC, 17 components disappeared, the relative content of 15 components increased, and the relative content of 14 components decreased. Compared with SFSH, SHC showed the disappearance of 18 components, an increase in the relative content of 17 components, and a decrease in the relative content of 9 components. Through chemometric methods like PCA and OPLS-DA, successful differentiation was achieved among SH, SFSH, and SHC. Eight components, including menthone, 3-pentanal, carvone, pulegone, (R)-3-methylcyclohexanone, acetoin, iso-menthone, and benzaldehyde, exhibited differences in their relative content, serving as the main differentiating components among the three. Combining with ROAV, benzaldehyde, menthone, pulegone, iso-menthone, and carvone were identified as key aroma components contributing to the differences. Specifically, carvone contributed significantly to the aroma of SH, pulegone to SFSH, and benzaldehyde to SHC.
      CONCLUSION HS-GC-MS combines with ROAV technology clarifies the differences in volatile components among SH, SFSH and SHC, providing a robust reference for establishing specialized quality control standards and clinical applications of SH and its processed products.

       

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