Computational Investigation on Veterinary Sulfonamide Imprinted Polymers

In this study,we computationally investigated preparation of molecularly imprinted polymers(MIPs) that can bind three commonly used veterinary sulfonamides(SFAs) including sulfisoxazole(SIZ),sulfanilamide(SNM) and sulfamethazine(SM2) using methyl methacrylate(MAA) as the functional monomer.The effect of different reaction media on MIPs preparation was analyzed through calculations based on the density functional theory,and the SFAs-MAA binding was explored at the molecular level with the aim of providing theoretical guidance for preparing reasonable molecularly imprinted polymers.