UHPLC-Q-TOF MS和化学计量学方法分析川芎硫磺熏蒸前后化学成分的变化

发布时间：2018-04-21 01:30

本文选题：UHPLC-Q-TOF + MS　；参考：《质谱学报》2017年01期

【摘要】：采用UHPLC-Q-TOF MS结合化学计量学方法分析川芎硫磺熏蒸前后化学成分的变化。选取19批未经硫磺熏蒸川芎饮片、11批实验室自制硫磺熏蒸川芎饮片和9批市售硫磺熏蒸川芎饮片作为实验样品,制备供试品溶液进样后,应用PeakView1.2软件依据一级质谱的精确质荷比和二级质谱的碎片信息进行成分解析,并结合MarkerView1.2.1软件进行主成分分析(PCA)和t检验,鉴定其中的共有成分和差异性成分。结果表明,在PCA分析中,正负离子模式下的未硫熏和硫熏川芎样品均可被明显地区分开,主成分之间存在明显的差异;t检验结果也显示二者之间存在大量的差异性成分,同时鉴定出部分差异性成分,并进一步推测了其可能的转化方式。本实验可为研究硫磺熏蒸对川芎质量的影响提供客观参考,并为控制硫磺熏蒸在中药材和饮片加工过程中的过度应用和确保中医临床用药的安全提供理论依据。
[Abstract]:The chemical composition of Ligusticum chuanxiong before and after fumigation was analyzed by UHPLC-Q-TOF MS and chemometrics. Nineteen batches of non-sulfur fumigation of Ligusticum chuanxiong (Rhizoma Chuanxiong) and 11 batches of laboratory self-made sulfur-fumigated pieces of Ligusticum chuanxiong and 9 batches of marketable sulfur-fumigated pieces of Ligusticum chuanxiong were selected as experimental samples. According to the accurate mass charge ratio of the first order mass spectrum and the fragment information of the second order mass spectrum, the PeakView1.2 software was used to analyze the components, and the principal component analysis (PCA) and t test were carried out in combination with the MarkerView1.2.1 software to identify the common components and the different components. The results showed that the samples of non-sulfur fumigation and sulfur fumigation of Ligusticum chuanxiong under the positive and negative ion mode were obviously separated in PCA analysis, and there were obvious differences between the principal components and a large number of different components between them. At the same time, some of the different components were identified, and its possible transformation mode was further speculated. This experiment can provide an objective reference for studying the effect of sulfur fumigation on the quality of Ligusticum chuanxiong, and provide a theoretical basis for controlling the excessive application of sulfur fumigation in the processing of traditional Chinese medicinal materials and for ensuring the safety of traditional Chinese medicine in clinical use.
【作者单位】：南京中医药大学药学院;南京中医药大学国家教育部中药炮制规范化及标准化工程研究中心;山西中医药大学制药与食品工程学院;
【基金】：国家自然科学基金(81673600,81173546,30940093) 江苏省国际科技合作计划项目(BZ2011053) 国家药典委员会项目江苏省普通高校研究生科研创新计划项目(KYLX_0975) 江苏高校优势学科建设工程项目(2011ZYX2-001)资助
【分类号】：R284.1;O657.63

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