基于超高效液相色谱串联质谱法的化学计量学分析不同产区烤烟烟叶中非挥发性有机酸的含量差异  

Difference Analysis of Non-Volatile Organic Acid Content in Flue-Cured Tobacco from Different Growing Areas by Chemometrics Based on Ultra-High Performance Liquid Chromatography Tandem Mass Spectrometry

作　　者：李颖雪 刘峰峰[1] 刘辉[1] 何结望[1] 江雪彬 董世良[1] 石刚[1] 李艳[1] 周汉红[1] LI Yingxue;LIU Fengfeng;LIU Hui;HE Jiewang;JIANG Xuebin;DONG Shiliang;SHI Gang;LI Yan;ZHOU Hanhong(China Tobacco Hubei Industrial Co.,Ltd.,Wuhan 430040,China)

机构地区：[1]湖北中烟工业有限责任公司,武汉430040

出　　处：《理化检验（化学分册）》2023年第6期626-636,共11页Physical Testing and Chemical Analysis(Part B:Chemical Analysis)

基　　金：中国烟草总公司科技重点项目(110202102036);湖北中烟工业有限责任公司科技项目(2021JCYL3JS2B026)。

摘　　要：非挥发性有机酸成分对烤烟的感官特征有显著影响,为研究不同产区烤烟烟叶中非挥发性有机酸含量差异及与感官特征之间的联系,采用超高效液相色谱串联质谱法(UHPLC-MS/MS)对黑龙江、四川、湖南、湖北、云南等5个不同产区烤烟样品中非挥发性有机酸成分进行了检测。通过正交偏最小二乘判别分析(OPLS-DA)模型、变量投影重要性(VIP)值、单因素方差分析(ANOVA)、京都基因和基因组数据库(KEGG)富集通路分析,得出了不同产区间非挥发性有机酸差异,并确定了特征差异组分的代谢通路。结果表明:共检测到69种非挥发性有机酸,其中多元酸23种,游离脂肪酸21种,其他有机酸25种。基于非挥发性有机酸构建的OPLS-DA模型对不同产区烟叶识别效果较理想,模型参数R^(2)Y和Q^(2)分别为0.931和0.595。通过模型的VIP值和ANOVA筛选出26种特征差异非挥发性有机酸,并通过KEGG富集分析得到16条与上述26种组分关联的代谢通路。研究发现黑龙江牡丹江产区烟叶中特征差异非挥发性有机酸含量与其他产区差异最大,其次为湖南衡阳产区,四川凉山、云南楚雄、湖北恩施产区烟叶中特征差异非挥发性有机酸组间差异较小,均与所属烟区烤烟感官特征相符。The non-volatile organic acid components affected the sensory features of flue-cured tobacco significantly.To study the differences in non-volatile organic acid content in flue-cured tobacco from different growing areas and the relationship with sensory features,non-volatile organic acids in flue-cured tobacco samples from five different growing areas(Heilongjiang,Sichuan,Hunan,Hubei and Yunnan)were detected by ultra-high performance liquid chromatography tandem mass spectrometry(UHPLC-MS/MS).The differences in non-volatile organic acids from different growing areas were obtained and the metabolic pathways of characteristic difference components were determined by using orthogonal partial least-squares discrimination analysis(OPLS-DA)model,VIP values,ANOVA and KEGG enrichment pathway analysis.As shown by the results,a total of 69 non-volatile organic acids were detected,including 23 polybasic acids,21 free fatty acids,and 25 other organic acids.The OPLS-DA model based on non-volatile organic acids had an ideal effect in distinguishing tobacco from different growing areas,and a good fitting result was obtained with the parameters R^(2)Y of 0.931 and Q^(2)of 0.595 respectively.26 characteristic difference non-volatile organic acids were screened out through the model's VIP values and ANOVA,and 16 metabolic pathways associated with the above 26 components were obtained using KEGG enrichment analysis.The characteristic difference non-volatile organic acid content of tobacco samples from Mudanjiang growing area in Heilongjiang was the most different from others,followed by Hengyang growing area in Hunan.The characteristic difference non-volatile organic acids in tobacco from growing areas of Liangshan in Sichuan,Chuxiong in Yunnan,and Enshi in Hubei had little difference between groups,which were consistent with the sensory features of flue-curred tobacco from the tobacco growing areas.

关 键 词：非挥发性有机酸 烤烟 化学计量学 代谢通路 

分 类 号：O65[理学—分析化学]