基于GC-MS结合化学模式识别辨析瓜蒌子变质过程中差异标志物  

Analysis of differential markers in the metamorphic process of Trichosanthis semen based on GC-MS combined with chemical pattern recognition

作　　者：颜继忠[1] 曾结林 白芮 吴亚梦 姜慧洁 张慧 YAN Jizhong;ZENG Jielin;BAI Rui;WU Yameng;JIANG Huijie;ZHANG Hui(College of Pharmaceutical Sciences,Zhejiang University of Technology,Hangzhou 310014,China)

机构地区：[1]浙江工业大学药学院,浙江杭州310014

出　　处：《浙江工业大学学报》2023年第4期456-465,共10页Journal of Zhejiang University of Technology

基　　金：浙江省自然科学基金资助项目(LY20H280014);浙江工业大学研究生实践基地建设项目(GZ21231160006,GZ21881160011)的资助。

摘　　要：分析瓜蒌子变质过程中油脂类成分的变化,筛选差异标志物,为瓜蒌子的质量控制和临床合理使用提供科学依据。采用加速实验加快瓜蒌子变质进程,利用气相色谱质谱联用(GC-MS)技术鉴定瓜蒌子中油脂类化学成分,通过NIST17谱库、化合物精确相对分子质量及文献进行化合物解析,并结合聚类分析(Cluster analysis,CA)、主成分分析(Principal component analysis,PCA)和正交偏最小二乘判别分析(Orthogonal partial least squares discriminant analysis,OPLS-DA)对色谱峰进行综合处理和分析。研究结果显示:基于GC-MS技术共鉴定出新鲜瓜蒌子中22个化合物,随着加速实验天数增加,瓜蒌子在变质过程中新鉴定出5个化合物。利用OPLS-DA模型中VIP分析,发现瓜蒌子变质过程中6个色谱峰的VIP(Variable importance in the projection)均大于1.0,分别为α-桐酸、α-亚麻酸、油酸、亚油酸、棕榈酸和瓜蒌酸,其可作为瓜蒌子变质过程中差异标志物。通过GC-MS技术总结瓜蒌子脂肪酸在变质过程中的变化规律,利用化学模式识别筛选出6个差异标志物,研究结果可为瓜蒌子饮片及其中药制剂的质量控制奠定基础。In order to improve the quality control and rational clinical use of Trichosanthis semen,the oil components during the metamorphic process of Trichosanthis semen was analyzed to obtain the differential markers.After using the accelerated testing to speed up the metamorphic process,the components of oils in Trichosanthis semen.were identified by gas chromatography-mass spectrometry(GC-MS).Subsequently,based on NIST17 spectral library,the relative molecular masses and the literatures,cluster analysis(CA),principal component analysis(PCA)and orthogonal partial least squares discriminant analysis(OPLS-DA)were applied to analyze GC-MS data.The results showed that 22 compounds were identified,while with the increase of accelerated test days,five more compounds were further determined.According to VIP values in the OPLS-DA model,it was found that the VIP(Variable importance in the projection)values of 6 chromatographic peaks were higher than 1.0,includingα-eleostearic acid,linolenic acid,oleic acid,linoleic acid,palmitic acid and trichosanic acid,which could be selected as differential markers for the deterioration process of Trichosanthis semen.These findings would provide new insight for the quality control of Trichosanthis semen and its pharmaceutical preparations.

关 键 词：瓜蒌子 变质 GC-MS 化学模式识别 差异标志物 

分 类 号：R917[医药卫生—药物分析学]