A computational approach to design an electrochemical sensor and determination of acephate in aqueous solution based on a molecularly imprinted poly(o-phenylenediamine) film

Abstract

A new molecularly imprinted polymer (MIP) electrochemical sensor was prepared by anchoring an imprinted insulating poly(o-phenylenediamine) film on a glassy carbon electrode (GCE) surface for the determination of acephate in aqueous solution. In this protocol, the selection of a functional monomer was performed computationally using the density functional theory method to evaluate the template–monomer interaction energy. The electrochemical properties of the MIP–GCE were characterized by cyclic voltammetry and alternating current impedance. Under optimal experimental conditions, the peak current of the MIP–GCE performed by differential pulse voltammetry was related to the concentration of acephate in the range from 5.0 × 10⁻⁷ to 1.0 × 10⁻⁴ mol L⁻¹. The detection limit of 1.3 × 10⁻⁷ mol L⁻¹ and the limit of quantitation of 4.5 × 1.0⁻⁷ mol L⁻¹ were obtained. The prepared MIP–GCE showed high recognition, sensitivity to acephate, and it provides potential for monitoring acephate residues in foods and water samples.