Interaction binding study of dimethylamylamine with functional monomers to design a molecular imprinted polymer for doping analysis

Abstract

The selection of functional monomers for synthesis of Molecular Imprinting Polymers (MIPs) dimethylamylamine (DMAA) compound had been conducted by non-covalent interaction identification, i.e., hydrogen bonding with DMAA, as the template. The analysis of the template complex was performed by quantum mechanical calculation using B3LYP Density Functional Theory method. The emergence of spontaneous reactions and optimum bond energy indicated the stability of formed MIPs. The results showed the functional monomers, i.e., 2-acrylamide-1-ethanosulfonic acid, itaconic acid, methacrylic acid, acrylic acid, N-(2-hydroxyethyl) acrylamide, methyl 6-O-metacryloil-a-d-glucoside, and acrylamide could be an option of MIPs synthesis consideration for DMAA with good selectivity.