分子模拟-活性自由基聚合法制备山奈酚分子印迹整体柱及其性能评价

发布时间：2018-02-12 00:58

本文关键词： 山奈酚分子印迹整体柱高效液相色谱分子模拟　出处：《分析化学》2017年05期 　论文类型：期刊论文

【摘要】：通过分子模拟研究模板分子与功能单体的相互作用,可以缩短优化时间,为选取合适的功能单体以及模板分子/功能单体比例提供依据。本研究以山奈酚为模板分子,通过分子模拟优化实验条件,确定以甲基丙烯酸(MAA)为最优的功能单体,山奈酚/MAA最佳比例为1:4(w/w)。此外,以二苄基三硫代碳酸酯(DBTTC)为可逆加成-链断裂转移剂,乙二醇二甲基丙烯酸酯(EDMA)为交联剂,实现了仅需优化引发剂和可逆加成-断裂链转移聚合(RAFT)试剂即可制得性能优异的山奈酚分子印迹整体柱。此整体柱对山奈酚和相似物槲皮素的分离度s訰为1.52,相对标准偏差为1.8%。实验结果表明,分子模拟计算简化了实验步骤,以DBTTC为RAFT试剂得到了具有更好形态和结构的分子印迹整体柱。
[Abstract]:By studying the interaction between template molecules and functional monomers by molecular simulation, the optimization time can be shortened and the basis for selecting suitable functional monomers and the ratio of template molecules to functional monomers can be provided. In this study, kaempferol was used as template molecule. Using MAA as the optimum functional monomer, the optimum ratio of kaempferol / MAA is 1: 4 w/ wg. In addition, dibenzyl trithiocarbonate (DBTTC) is used as reversible addition-chain break transfer agent. Ethylene glycol dimethacrylate (EDMA) as crosslinking agent, The molecular imprinted monolithic column of kaempferol with excellent performance can be prepared by optimizing initiator and reversible addition-break chain transfer polymerization reagent. The separation degree of kaempferol and quercetin from kaempferol by this monolithic column is 1.52, and the phase of kaempferol is 1.52. The standard deviation is 1.8. The experimental results show that, The molecular simulation method simplifies the experimental steps, and the molecularly imprinted monolithic column with better morphology and structure is obtained by using DBTTC as RAFT reagent.
【作者单位】：喀什大学化学与环境科学学院新疆特色药食用植物资源化学重点实验室;
【基金】：新疆维吾尔自治区自然科学基金(No.201318101-15) 高校博士点基金(No.20130031110016) 国家基础科学人才培养基金(No.J1103306)项目资助
【分类号】：O631.3

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