基于PLS-DA的卷烟品质特征差异的二维化学指纹图谱表征

Two-dimensional chemical fingerprinting characteristics of cigarette quality based on PLS-DA

  • 摘要: 为表征烟叶组模块配方调整前后卷烟品质的变化情况,通过近红外光谱和HS-GC/MS分别对74个老叶组配方和395个新叶组配方样品中常规化学成分及挥发性成分进行检测分析,结合PLS-DA方法对各项指标进行差异性分析,并采用因子载荷图表征. 结果表明:①老配方卷烟烟碱、芸香苷、氯钾比含量较高,而新配方卷烟灰分、绿原酸、K2O、多酚总量、还原糖含量较高. ②新配方中挥发性致香成分,如2,3-二氢-3,5-二羟基-6-甲基-4H-吡喃-4-酮、巨豆三烯酮、新植二烯等含量较高,而老配方中异丁醛、甲酸、乙酸等感官刺激性成分含量较高. ③表征的化学差异结果与感官评吸一致,对进一步研究物质组成与卷烟抽吸品质间的影响具有重要现实意义.

     

    Abstract: In order to characterize the changes in quality of cigarettes before and after adjustment for cut-tobacco module formulation, conventional chemical constituents and volatile components were tested and analyzed through near-infrared spectroscopy and HS-GC/MS separately in 74 original and 395 new cut-tobacco formula samples. Combined with PLS-DA method, the chemical differences of various indicators of samples could be characterized by biplot. The results showed that: ① The content of nicotine, rutin, and chlorine/potassium were higher in the original formula, while the content of ash, chlorogenic acid, K2O, total polyphenols and reducing sugar were higher in the new formula. ② The content volatile aroma components in the new formulation, such as 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one, megastigmatrienone, neophytadiene and so on were relatively high, but the sensory stimulants, such as isobutyraldehyde, formic acid, acetic acid and so on were relatively higher in original formula. ③ The results of characterization of the chemical differences are consistent with the sensory evaluation, which has a guiding effect on the auxiliary study on the influences relationship between the composition of substances and cigarette sensory quality.

     

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