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基于HS-SPME-GC-MS的化学计量学分析有无霉变雪茄烟叶挥发性成分的差异

Chemometric analysis on volatile components and their differences between moldy and non-moldy cigar tobacco leaves using HS-SPME-GC-MS

  • 摘要: 为了探究霉变和无霉变雪茄烟叶的挥发性成分组成、相对含量及其差异,采用顶空固相微萃取-气相色谱-质谱(HS-SPME-GC-MS)建立了雪茄烟叶中挥发性成分的分析方法,并对霉变及无霉变雪茄烟叶共18个样品进行分析,结合化学计量学方法中的主成分分析(PCA)、正交偏最小二乘判别分析法(OPLS-DA)和变量投影重要性对有无霉变的雪茄烟叶挥发性成分进行差异分析。结果表明:①在霉变和无霉变雪茄烟叶中共鉴定出95种挥发性成分,并测得其相对含量。②通过PCA可知霉变和无霉变烟叶中挥发性成分具有一定的区分度。③通过OPLS-DA模型识别分析,霉变与无霉变雪茄烟叶组内较为聚集,组间存在较好的分离度,可以实现样品的有效区分,该模型中R2X为0.74,R2Y为0.90,Q2为0.60。④以VIP > 1为标准,筛选出对模型分类贡献较大的22个差异挥发性成分如二烯烟碱、β-二氢大马酮等。

     

    Abstract: To investigate the composition, relative contents, and their differences on volatile chemical components between moldy and non-moldy cigar tobacco leaves, a headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) method was established to analyze the volatile components in 18 samples of moldy and non-moldy cigar tobacco leaves. Chemometric methods including principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA) and variable importance in projection were used to identify the main differences in the volatile components in these samples. The results showed that: 1) Ninety-five volatile components in the moldy and non-moldy samples were identified and semi-quantified by the established method. 2) The volatile components in the moldy and non-moldy samples showed a certain degree of discrimination by PCA. 3) The results of identification and analysis using an OPLS-DA model (R2X=0.74, R2Y=0.90, Q2=0.60) showed that the moldy and non-moldy cigar leaves were more clustered in their categories, and there was a good degree of separation between the categories, which effectively distinguished the two types of samples. 4) There were 22 differential volatile components, such as nicotyrine and β-damascone, with larger contributions (VIP > 1)to the model classification in the moldy and non-moldy samples.

     

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