Computational design and synthesis of a high selective molecularly imprinted polymer for voltammetric sensing of propazine in food samples

► The suitable monomer and solvent for synthesis of MIP for propazine was selected using DFT-based computational approach. ► Precipitation polymerization was used for synthesis of propazine-MIP mediator. ► The synthesized MIPs were used as selective mediator in construction of modified carbon paste electrode. ► This sensor has been applied for the determination of propazine in food samples.