摘要
采用计算机模拟的方法,通过Gaussian 03模拟喜树碱(CPT)分别与ɑ-甲基丙烯酸(MAA)或丙烯酰胺(AM)的复合物预组装构型,结果表明CPT与MAA形成的复合物更稳定。采用分子印迹技术,以CPT为模板分子,已二醇二甲基丙烯酸酯(EGDMA)为交联剂,MAA为功能单体,通过沉淀聚合法制备了CPT分子印迹聚合物微球。以吸附量及形貌为指标,确定了最佳合成条件:以 30 mL甲醇/氯仿(8:2)为溶剂、模板分子/功能单体/交联剂的摩尔比为1∶4∶15时,分子印迹聚合物微球大小均匀,平均粒径约为0.3 μm。所得聚合物通过等温、选择性吸附进行表征,结果表明该分子印迹聚合物微球对CPT具有良好的吸附能力及选择性,α和β值分别为2.49,3.09,吸附量为58.00 μmol/g。
To predict better functional monomer for Camptothecin molecular imprinted polymers (CPT-MIPs), Gaussian 03 was used to simulate the stable pre-assembled configuration of CPT/ɑ-methyl acrylic acid complex (CPT-MAA) and CPT/acrylamide complex (CPT-AM). The results show that CPT-MAA is more stable. CPT-MIPs were then synthesized by precipitation polymerization using CPT as template, MAA as functional monomer and ethylene glycol dimethacrylate (EGDMA) as cross-linking agent. Optimal synthesis conditions determined by the adsorptive capacity and morphology are as followed: solvent of 30 mL methanol and chloroform (volume ratio of 8∶2);mole ratio of template, functional monomer and crossing-link agent of 1∶4∶15. Synthesized MIPs are about 0.3 μm in uniform size under optimal synthesis conditions. Isothermal adsorption and selective adsorption of synthesized MIPs were tested, indicating that MIPs have the impressive adsorptive capacity and selectivity with α value of 2.49 and β value of 3.09, and the adsorptive capacity of 58.00 μmol/g.
作者
蒋旭红
张汉辉
周昱喆
东方云
刘展眉
许旋
程杏安
Xuhong Jiang;Hanhui Zhang;Yuzhe Zhou;Yun Dongfang;Zhanmei Liu;Xuan Xu;Xing’an Cheng(College of Chemistry and Chemical Engineering,Zhongkai University of Agriculture andEngineering,Guangzhou 510225,China;Department of Teaching and Research,GuangzhouNanyang Polytechnic College,Guangzhou 510900,China;Laboratory of Molecular Modeling and Design,South China Normal University,Guangzhou 510006,China)
出处
《高分子材料科学与工程》
EI
CAS
CSCD
北大核心
2021年第6期99-108,共10页
Polymer Materials Science & Engineering
基金
广东省自然科学基金资助项目(2013B35502008)
广东省普通高校省级重点科研项目(2018GKZDXM010)。
关键词
喜树碱
分子印迹聚合物
合成条件
计算机模拟
camptothecin
molecularly imprinted polymers
synthesis condition
computer simulation
