Abstract:

The molecularly imprinted polymers (MIPs) for D-p-Hydroxyphenylglycine (D-HPG) were prepared by thermal polymerization using D-HPG as template, acrylamide (AM) or α-methylacrylic acid (MAA) as functional monomer, and ethylene glycol dimethacrylate (EDMA) as crosslinker.The adsorption performance of the MIPs was determined in terms of capacity and selectivity, and the polymer synthesized by using MAA as functional monomer resulted in higher capacity and selectivity.For the MIP made from MAA, the binding capacity was 43.9 μmol•g^-1，and the imprinting factor α was 3.6.The binding energy of imprinted molecule with different functional monomers, and the solvation energy of imprinted molecule and different functional monomers were calculated with the molecular mechanics (MM) method.It was found that the binding energy of D-HPG with MAA was higher than that with AM, and the solvation energy of MAA was lower than that of AM, thus the complex of D-HPG and MAA was more stable than that of D-HPG and AM in the solution.UV analysis showed that the template D-HPG and functional monomers formed complexes before polymerization, and the interaction between MAA and D-HPG was much stronger than that between AM and D-HPG, which was in good agreement with experimental observation and molecular mechanics (MM) calculation.

Key words:

D-对羟基苯甘氨酸, 分子印迹聚合物, 分子模拟, 吸附

摘要：

以D-对羟基苯甘氨酸（D-HPG）为模板分子，以丙烯酰胺（AM）和α-甲基丙烯酸（MAA）为功能单体，乙二醇二甲基丙烯酸酯为交联剂，合成了D-HPG分子印迹聚合物，并测定其对D-HPG的识别能力。静态吸附实验表明，以MAA为功能单体制备的分子印迹聚合物具有更强的分子识别能力，其饱和吸附量达43.9 μmol•g^-1，印迹因子α为3.6。分子力学计算表明，MAA与D-HPG形成复合物的结合能较大，且MAA在乙醇和水中的溶剂化能较小，因此与AM比较，MAA和模板分子D-HPG在乙醇和水中能形成更加稳定的复合物。紫外光谱分析表明，MAA与D-HPG之间的结合力比AM与D-HPG之间的结合力要强，与分子力学计算以及静态吸附实验得到的结果相一致。

关键词:

D-对羟基苯甘氨酸, 分子印迹聚合物, 分子模拟, 吸附