[关键词]
[摘要]
目的 探讨6种基原川贝母挥发性有机物组成及其差异特征,为川贝母药材基原鉴别和质量评价提供参考。方法 采用顶空-气相色谱-离子迁移谱技术(headspace-gas chromatography-ion mobility spectrometry,HS-GC-IMS)对川贝母Fritillaria cirrhosa、暗紫贝母F. unibracteata、甘肃贝母F. przewalskii、梭砂贝母F. delavayi、太白贝母F. taipaiensis和瓦布贝母F. unibracteata var. Wabuensis的干燥鳞茎进行挥发性成分分析。通过GC-IMS Library Search内置NIST数据库和IMS数据库进行定性匹配,并结合主成分分析(principal component analysis,PCA)、正交偏最小二乘法-判别分析(orthogonal partial least squares-discriminant analysis,OPLS-DA)及层次聚类分析评价不同基原样品间挥发性成分差异。结果 共鉴定出90种挥发性有机物,主要包括醛类、醇类、酮类、酯类、羧酸类、吡嗪类、含硫化合物等,其中醛类、醇类和酮类为主要组成类别。PCA和OPLS-DA结果显示,6种基原川贝母样品可实现较好区分。基于变量重要性投影值筛选出17个差异标志物,包括醋酸乙酯、2-丙酮、α-水芹烯、3-羟基-2-丁酮、乙酸甲酯、2-丙硫醇、2-异丁基-3-甲氧基吡嗪、乙酸丙酯、3-甲基丁醛、1-丁醇、2-甲基-2-丙烯醛、己醛、3-甲基-1-戊醇、2-甲基丙酸、3-丁烯腈、苯甲醛和2-辛酮。聚类热图进一步表明,上述差异成分可反映不同基原川贝母的挥发性代谢特征。结论HS-GC-IMS结合化学计量学方法能够有效表征不同基原川贝母挥发性有机物差异,可为川贝母基原鉴别、质量评价及特征成分筛选提供技术参考。
[Key word]
[Abstract]
Objective To investigate the composition and differential characteristics of volatile organic compounds (VOCs) in Fritillariae Cirrhosae Bulbus (FCB) from six legally authorized origins, and provide a reference for origin identification and quality evaluation of FCB. Methods Headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) was employed to analyze the volatile components in dried bulbs of Fritillaria cirrhosa, F. unibracteata, F. przewalskii, F. delavayi, F. taipaiensis and F. unibracteata var. Wabuensis. Qualitative matching was performed using the built-in NIST and IMS database of GC-IMS Library Search. Principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), and hierarchical cluster analysis (HCA) were applied to evaluate the differences in volatile components among samples from different origins. Results A total of 90 volatile organic compounds were preliminarily identified, mainly including aldehydes, alcohols, ketones, esters, carboxylic acids, pyrazines, and sulfur-containing compounds. Among them, aldehydes, alcohols, and ketones were the major categories. PCA and OPLS-DA results indicated that FCB samples from the six origins could be well distinguished. Based on variable importance in projection (VIP) values, 17 potential differential markers were screened out, including ethyl acetate, 2-propanone, α-phellandrene, 3-hydroxy-2-butanone, methyl acetate, 2-propanethiol, 2-isobutyl-3-methoxypyrazine, propyl acetate, 3-methylbutanal, 1-butanol, 2-methyl-2-propenal, hexanal, 3-methyl-1-pentanol, 2-methylpropanoic acid, 3-butenenitrile, benzaldehyde, and 2-octanone. Cluster heatmap analysis further demonstrated that the above differential compounds could reflect the volatile metabolic characteristics of FCB from different origins. Conclusion HS-GC-IMS combined with chemometrics can effectively characterize the differences in volatile organic compounds among FCB from different origins, providing technical reference for origin identification, quality evaluation, and characteristic component screening of FCB.
[中图分类号]
R282.6
[基金项目]
国家重点研发计划资助(2023YFD1600402,2024YFC3506400);陕西省科技厅社发重点项目(No.2024SF-GJHX-05);中央引导地方科技发展专项项目(2025ZY-XCZXZS-22,2024ZY-CGZY-12);陕西省中医药管理项目(2021-QYZL-02,2025-CXTD-01)