Computer - Aided Design of Cefotaxime-imprinted Polymer

Abstract

The application of GAMESS software in the present investigations makes it possible to optimize the choice of the reagents for the subsequent synthesis of a polymer molecularly imprinted by cefotaxime. Methacrylic acid was chosen as an optimal functional monomer, ethylene glycol dimethacrylate - as a cross-monomer, an optimal molar ratio of cefotaxime to methacrylic acid of 1:5 was also found.