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,and molecular mechanics calculation and UV analysis can be used for the selection of a functional monomer for the synthesis of MIPs. Finally,the selectivity of the imprinted polymer made with 4-VP is also studied. The static adsorption distribution coefficient of p-HB is much higher than that of other analogs,and the separation factor between p-HB and o-HB is 1.4.
Author keywords: p-hydroxybenzoic acid, molecularly imprinted polymer, functional monomer, molecular mechanics calculation, adsorption

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