基于UHPLC-Q-TOF-MS非靶向代谢组学的远志木心差异化学成分研究  

Study on the differential chemical compositions of the xylem of Yuanzhi using UHPLC-QTOF-MS-based non-targeted metabolomics

作　　者：李娟 娄迎昕 张丽君 马佳琦 毛伟 马运治 王海花 郭丁丁[3] 张福生[2] Li Juan;Lou Yingxin;Zhang Lijun;Ma Jiaqi;Mao Wei;Ma Yunzhi;Wang Haihua;Guo Dingding;Zhang Fusheng(Shanxi Pharmaceutical Vocational College,Taiyuan Shanxi 030031;Modern Research Center for Traditional Chinese Medicine,Shanxi University of Chinese Medicine,Taiyuan Shanxi 030006;Shanxi Academy of Traditional Chinese Medicine,Taiyuan Shanxi 030045)

机构地区：[1]山西药科职业学院,山西太原030031 [2]山西大学中医药现代研究中心,山西太原030006 [3]山西省中医药研究院,山西太原030045

出　　处：《山西中医药大学学报》2025年第2期160-169,174,共11页Journal of Shanxi University of Chinese Medicine

基　　金：山西省基础研究计划自然科学研究面上项目(202403021211184);山西省2025年度中医药产业发展现代化支撑项目(2025zyycy04);山西省中医药管理局科研课题(2024ZYY2A030);山西省中医药管理局科研课题(2024ZYYA001);山西省科技成果转化引导专项(202104021301064);吕梁市引进高层次科技人才重点研发项目(2021RC-2-13)。

摘　　要：目的:基于超高效液相色谱-四级杆-飞行时间质谱(UHPLC-Q-TOF-MS)非靶向代谢组学技术,解析远志筒与远志木心中的差异化学成分。方法:使用UHPLC-Q-TOF-MS对远志木心和远志筒样本进行数据采集,先后进行SCIEX中药数据库检索、GNPS分子网络构建与注释、代谢组学数据处理、多元统计分析等数据处理及统计分析,解析远志木心、远志筒中的化学成分,并采用非靶向代谢组学技术解析远志筒与远志木心中的差异化学成分。结果:共鉴定出117种成分,包括:三萜皂苷24个,酮10个,糖酯24个,黄酮8个,氨基酸10个,有机酸(酯)29个,脂质1个,核苷(酸)2个,木脂素1个,苯丙素1个,生物碱1个,糖类3个和其他类化合物3个。其中负离子模式鉴定了69种成分,包括三萜皂苷22个,酮7个,黄酮3个,有机酸(酯)9个,糖酯23个,糖类3个和其他类化合物2个,含31个差异代谢物,如3,6′-二芥子酰基蔗糖、细叶远志苷A/B等;正离子模式鉴定了48种成分,包括三萜皂苷2个,酮3个,糖酯1个,黄酮5个,氨基酸10个,有机酸(酯)20个,脂质1个,核苷(酸)2个,木脂素1个,苯丙素1个,生物碱1个和其他类化合物1个,含10个差异代谢物,如油酸、远志皂苷B等。结论:本研究为“远志是否去心”的相关研究开启了新视角,为远志药材安全性相关的质量控制研究奠定了基础。Objective:To elucidate the differential chemical compositions between the phloem and xylem of Yuanzhi based on ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UHPLC-Q-TOF-MS)non-targeted metabolomics technology.Methods:UHPLC-Q-TOF-MS was used to collect data on the xylem and phloem samples of Yuanzhi.The data processing and statistical analysis were carried out successively in SCIEX Chinese herbs database retrieval,GNPS molecular network construction and annotation,metabolomics data processing,and multivariate statistical analysis to analyze the chemical compositions of the xylem and phloem of Yuanzhi.Non-targeted metabolomics technology was used to analyze the different chemical compositions of the phloem and xylem of Yuanzhi.Results:A total of 117 ingredients were identified,including 24 triterpene saponins,10 ketones,24 sugar esters,8 flavones,10 amino acids,29 organic acids(esters),1 lipid,2 nucleosides(acids),1 lignans,1 phenylpropyl,1 alkaloid,3 sugars and 3 other compounds.Among them,69 components were identified by negative ion model,including 22 triterpenoid saponins,7 ketones,3 flavones,9 organic acids(esters),23 sugar esters,3 sugars and 2 other compounds,and 31 different metabolites,such as 3,6′-sinaloyl sucrose,Tenuifoliside A/B and so on.48 components were identified by positive ion model,including 2 triterpene saponins,3 ketones,1 sugar ester,5 flavones,10 amino acids,20 organic acids(esters),1 lipid,2 nucleosides(acids),1 lignan,1 phenylpropanoid,1 alkaloid and 1 other compound,and 10 different metabolites,such as oleic acid,senegenin B,etc.Con⁃clusion:This study opens a new perspective for the related research that whether the xylem should be removed from Yuanzhi,and lays a foundation for the quality control research related to the safety of Yuanzhi.

关 键 词：远志木心 服之令人闷 UHPLC-Q-TOF-MS 非靶向代谢组学 差异化学成分 

分 类 号：R284.1[医药卫生—中药学]