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

引用本文: 买买提·吐尔逊, 热萨莱提·伊敏, 买合木提江·杰力, 古丽巴哈尔·达吾提, 楚刚辉, 尹学博. 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[J]. 分析化学, 2017, 45(5): 741-746. doi: 10.11895/j.issn.0253-3820.160320 shu

Citation: MAMAT Turson, RISALAT Emin, MAHMUTJAN Jelil, GULBAHAR Dawut, CHU Gang-Hui, YIN Xue-Bo. Preparation and Evaluation of Kaempferol Molecularly Imprinted Monolithic Column with Molecular Simulation-Living Radical Polymerization[J]. Chinese Journal of Analytical Chemistry, 2017, 45(5): 741-746. doi: 10.11895/j.issn.0253-3820.160320 shu

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

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, 喀什 844007
基金项目:
本文系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）和国家基础科学人才培养基金（No.J1103306）项目资助

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。

关键词:

English

Preparation and Evaluation of Kaempferol Molecularly Imprinted Monolithic Column with Molecular Simulation-Living Radical Polymerization

College of Chemistry and Environmental Science, Kashgar University, Laboratory of Xinjiang Native Medicinal and Edible Plant Resources Chemistry, Kashgar 844007, China
Received Date: 22 June 2016
Revised Date: 06 March 2017

Abstract: Molecular simulation was used to study the interaction between template molecule and functional monomer to shorten the optimization time for the functional monomer and the ratio of functional monomer and template molecule. Kaempferol molecularly imprinted polymerization (MIP) monolithic column was therefore synthesized by reversible addition-fragmentation chain-transfer (RAFT) polymerization with dibenzyltrithiocarbonate (DBTTC) and ethyleneglycoldim ethacrylate (EDMA) as RAFT and cross-linking agent, respectively, whereas methacrylic acid (MAA) was the optimal functional monomer with the molar ratio of kaempferol/MAA of 1∶4 from molecular simulation results. The results indicate that molecular simulation is useful to simplify the experimental procedure, and DBTTC as RAFT agent can provide more adjustable and better MIP monolithic column.

Key words:

Kaempferol
/ Molecularly imprinted polymer
/ Monolithic column
/ High performance liquid chromatography
/ Molecular simulation

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沈阳化工大学材料科学与工程学院沈阳 110142

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

English

Preparation and Evaluation of Kaempferol Molecularly Imprinted Monolithic Column with Molecular Simulation-Living Radical Polymerization

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

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

English

Preparation and Evaluation of Kaempferol Molecularly Imprinted Monolithic Column with Molecular Simulation-Living Radical Polymerization

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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