摘要
In the present study,we aimed to assess the chemical composition changes of Semen Euphorbiae(SE)and Semen Euphorbiae Pulveratum(SEP)by UPLC-Q-TOF/MS and multivariate statistical methods.The UPLC-Q-TOF/MS method and SIMCA-P software were used to analyze the changes of chemical components of SE and SEP based on PCA and PLS-DA multivariate statistical methods.A"component-target-disease"network model was constructed by Intelligent Platform for Life Sciences of traditional Chinese medicine(TCM)to predict potential related diseases.The differences of chemical composition were significant between SE and SEP.Under positive ion mode,the amounts of Euphorbia factor L2,L3,L7a,L8,L9 and lathyrol were obviously decreased after processing.Under negative ion mode,the amounts of aesculetin,bisaesculetin,ingenol and cetylic acid were increased obviously,while Euphorbia factor L1,L4 and L5 were decreased obviously after processing,and the components of euphobiasteroid,aesculetin,lathyrol and linoleic acid among the 14 differentiated compounds were closely related to the SE-related diseases through the"component-target-disease"network model.UPLC-Q-TOF/MS technology in combination with multivariate statistical methods had certain advantages in studying the complex changes of chemical composition before and after manufacturing pulveratum of SE.It provided a basis for clarifying the toxicity-attenuated mechanisms of SE manufacturing pulveratum,and laid the foundation for its further development and utilization.
本文建立了一种超高效液相色谱-飞行时间-质谱联用技术(UPLC-Q-TOF/MS)全面快速地分析千金子制霜前后的化学成分变化的方法,为进一步阐明千金子制霜减毒机理提供参考。采用UPLC-Q-TOF/MS技术分析了千金子制霜前后成分变化,并借助SIMCA-P软件,基于主成分分析法(PCA)和偏最小二乘判别法(PLS-DA)多变量统计方法分析千金子制霜前后化学成分量的变化。结果发现,千金子制霜前后化学成分差异显著,从中推断出14个潜在的化学标记物,正离子模式下,千金子制霜后千金子素L2、L3、L7a、L8、L9和续随子醇的量明显下降;负离子模式下,霜品中秦皮乙素、双七叶内酯、巨大戟醇和棕榈酸的量明显升高,千金子素L1、L4和L5的量明显降低。UPLC-Q-TOF/MS技术结合多变量统计方法研究千金子制霜前后化学成分复杂变化具有一定的优势,为阐明其制霜减毒机理提供了重要科学依据。
基金
Beijing Natural Science Foundation(Grant No.7182097)
National Natural Science foundation of China(Grant No.81673597)
National Key Research and Development Program of China(Grant No.2018YFE0197900)。
