Frontiers in chemistry · 2026
Multivariate statistical analysis of chemical components, origin, variety, and sensory quality of domestic cigar tobacco leaves.
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Wen Cai, Hongyue An, Jie Liu, Qianying Zhang, Mingyue Huang, Zhishun Chai, Beibei Zhu, Danqun Huo, Dongliang Li
Аннотация
INTRODUCTION: To achieve precise quality control and targeted optimization of cigar tobacco leaves, this study established an integrated analytical framework combining multi-source chemical detection with multivariate statistical analysis, using domestic cigar tobacco leaves from 9 origins and 3 varieties (27 samples in total).
METHODS: Gas chromatography-mass spectrometry (GC-MS/MS) was employed for untargeted semi-quantitative profiling of volatile components. Liquid chromatography-tandem mass spectrometry (LC-MS/MS/MS) was used for the quantitative determination of characteristic alkaloids and nitrogen-containing heterocycles. Biochemical assay kits were used to measure total protein and total starch contents. Based on the obtained multi-dimensional chemical data, principal component analysis (PCA) was applied for dimensionality reduction and visualization to explore the distribution patterns of tobacco leaves from different origins and varieties in the chemical composition space. Meanwhile, Spearman's rank correlation coefficients were calculated using R software to investigate the associations between chemical components and sensory/burning indicators, including sweetness and moistness, ash cohesion, burnability, cleanliness, and delicacy.
RESULTS: The PCA score plots revealed relatively independent clusters for samples from Sichuan and Hainan Tunchang, while samples from some origins (e.g., Hainan Danzhou, Hubei Yichang, and Hubei Danjiangkou) were positioned close to each other, suggesting certain chemical similarities. Spearman correlation analysis identified several chemical components (e.g., esters, phenols, and alkaloids) that showed strong correlations with specific sensory attributes. Among these, four candidate chemical markers-methyl stearate, pyridinylpyrrolone, 2,3'-bipyridine, and 2-(3-pyridyl)-2-pyrroline-met the predefined criteria for further investigation.
DISCUSSION: It should be emphasized that, due to the limited sample size (27 samples, with only 3 samples per origin), the PCA results are exploratory in nature and do not support definitive conclusions regarding origin discrimination. The correlation findings are hypothesis-generating and require independent validation with larger sample sets. This study provides preliminary data and candidate chemical targets for future research on cigar tobacco leaf quality with expanded sample sizes and validated analytical methods.
METHODS: Gas chromatography-mass spectrometry (GC-MS/MS) was employed for untargeted semi-quantitative profiling of volatile components. Liquid chromatography-tandem mass spectrometry (LC-MS/MS/MS) was used for the quantitative determination of characteristic alkaloids and nitrogen-containing heterocycles. Biochemical assay kits were used to measure total protein and total starch contents. Based on the obtained multi-dimensional chemical data, principal component analysis (PCA) was applied for dimensionality reduction and visualization to explore the distribution patterns of tobacco leaves from different origins and varieties in the chemical composition space. Meanwhile, Spearman's rank correlation coefficients were calculated using R software to investigate the associations between chemical components and sensory/burning indicators, including sweetness and moistness, ash cohesion, burnability, cleanliness, and delicacy.
RESULTS: The PCA score plots revealed relatively independent clusters for samples from Sichuan and Hainan Tunchang, while samples from some origins (e.g., Hainan Danzhou, Hubei Yichang, and Hubei Danjiangkou) were positioned close to each other, suggesting certain chemical similarities. Spearman correlation analysis identified several chemical components (e.g., esters, phenols, and alkaloids) that showed strong correlations with specific sensory attributes. Among these, four candidate chemical markers-methyl stearate, pyridinylpyrrolone, 2,3'-bipyridine, and 2-(3-pyridyl)-2-pyrroline-met the predefined criteria for further investigation.
DISCUSSION: It should be emphasized that, due to the limited sample size (27 samples, with only 3 samples per origin), the PCA results are exploratory in nature and do not support definitive conclusions regarding origin discrimination. The correlation findings are hypothesis-generating and require independent validation with larger sample sets. This study provides preliminary data and candidate chemical targets for future research on cigar tobacco leaf quality with expanded sample sizes and validated analytical methods.