中国中药杂志

2020, v.45(18) 4416-4422

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基于化学模式识别的栀子UPLC定量指纹图谱研究
UPLC quantitative fingerprint research on Gardeniae Fructus based on chemical pattern recognition technology

徐鑫;戚华文;高德嵩;蔡新娜;金磊;金红利;王超然;刘艳芳;梁鑫淼;
XU Xin;QI Hua-wen;GAO De-song;CAI Xin-na;JIN Lei;JIN Hong-li;WANG Chao-ran;LIU Yan-fang;LIANG Xin-miao;DICP-CMC Innovation Institute of Medicine;Taizhou Institute of Science and Technology, Nanjing University of Science and Technology;Dalian Institute of Chemical Physics, Chinese Academy of Sciences;

摘要(Abstract):

建立不同产地的26批栀子药材定量指纹图谱,并采用液质联用技术对栀子药材中主要成分进行快速鉴定,进而通过化学计量学对栀子药材进行产地区分,并对栀子中指标性成分进行含量测定。采用UPLC切换波长法,色谱柱为Waters Acquity UPLC HASS C_(18)柱(2.1 mm×100 mm,1.7μm),乙腈-0.5%甲酸水溶液为流动相进行梯度洗脱,主成分分析(principal component analysis,PCA)和正交偏最小二乘法判别分析(orthogonal partial least square discriminant analysis,OPLS-DA)用于数据分析。结果显示,26批栀子药材的定量指纹图谱相似度均大于0.89,标定了10个共有峰,通过对照品指认、文献比对以及高分辨质谱数据解析,鉴定出单萜类、环烯醚萜类、二萜类等共16个化合物。运用PCA和OPLS-DA,有效区分了不同产地栀子药材,并确定西红花苷Ⅰ和栀子苷为差异性质量标志物。不同产地栀子中西红花苷Ⅰ、西红花苷Ⅱ和栀子苷的含量存在一定差异。研究结果为栀子的药效物质研究及质量评价提供参考。
Twenty-six batches of Gardeniae Fructus from different producing area were collected for the development of the fingerprint, and the main components of Gardeniae Fructus were identified by liquid chromatography-mass spectrometry. The producing areas of Gardeniae Fructus were distinguished by chemical pattern recognition technology, and the index components of Gardeniae Fructus were quantitated. An UPLC wavelength switching method was adopted, and the separation was carried out on a Waters Acquity UPLC HASS C_(18)(2.1 mm×100 mm, 1.7 μm) column using the mobile phase of acetonitrile-0.5% formic acid water for gradient elution. Principal component analysis(PCA) and orthogonal partial least square discriminant analysis(OPLS-DA) were used for the data ana-lysis. The results showed that the similarity of 26 batches of Gardeniae Fructus was more than 0.89, and ten common peaks were defined. Sixteen compounds including monoterpenes, iridoids and diterpenoids were identified by reference identification, literature comparison and high-resolution mass spectrometry data analysis. The distinguishment of origin of Gardeniae Fructus was realized by PCA and OPLS-DA analysis, and two quality differential markers were screened as geniposide and crocin Ⅰ. The contents of crocin Ⅰ, crocin Ⅱ and geniposide in Gardeniae Fructus from different places were different. These results will provide reference for the geographical origin traceability of Gardeniae Fructus.

关键词(KeyWords): 栀子;定量指纹图谱;主成分分析;正交偏最小二乘法判别分析;质谱;定性分析
Gardeniae Fructus;quantitative fingerprint;PCA;OPLS-DA;mass spectrometry;qualitative analysis

Abstract:

Keywords:

基金项目(Foundation): 中药质量标准制定规范化及国际化研究项目(GZY-KJS-2018-016-6)

作者(Author): 徐鑫;戚华文;高德嵩;蔡新娜;金磊;金红利;王超然;刘艳芳;梁鑫淼;
XU Xin;QI Hua-wen;GAO De-song;CAI Xin-na;JIN Lei;JIN Hong-li;WANG Chao-ran;LIU Yan-fang;LIANG Xin-miao;DICP-CMC Innovation Institute of Medicine;Taizhou Institute of Science and Technology, Nanjing University of Science and Technology;Dalian Institute of Chemical Physics, Chinese Academy of Sciences;

Email:

DOI: 10.19540/j.cnki.cjcmm.20200603.201

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