Abstract:

Molecularly imprinted polymers(MIPs)using p-hydroxybenzoic acid(p-HB)as template，4-vinylpyridine(4-VP)，acrylamide(AM)and α-methylacrylic acid(MAA)as functional monomers were prepared separately. First，the binding energy of p-HB with the above monomers is calculated by using the molecular mechanics method. The order of binding energy of p-HB with different monomers is 4-VP>AM>MAA. Second，the interaction strength between p-HB and different monomers is studied by UV analysis， which is in the same order（4-VP>AM>MAA）.Third， the static adsorption experiments of the MIPs using 4-VP，AM or MAA as functional monomer show that the binding capacity order of these MIPs is also 4-VP>AM>MAA，the same with those from molecular mechanics calculation and UV analysis.  The results demonstrate that 4-VP is the best among the three monomers对羟基苯甲酸, 分子印迹聚合物, 功能单体, 分子力学计算, 吸附

摘要：

以对羟基苯甲酸（p -HB）为模板分子，从4-乙烯基吡啶（4-VP）、丙烯酰胺(AM)和甲基丙烯酸(MAA)3种具有代表性的单体中，选择最适宜制备p-HB分子印迹聚合物的功能单体。首先采用分子力学方法计算了p-HB与功能单体4-VP、AM和MAA的结合能，其强度顺序为：4-VP＞对羟基苯甲酸, 分子印迹聚合物, 功能单体, 分子力学计算, 吸附