Fabrication of an electrochemical sensor based on computationally designed molecularly imprinted polymers for determination of cyanazine in food samples

A computational approach was used for screening functional monomers and polymerization solvent in the rational design of molecularly imprinted polymers (MIPs). It was based on the comparison of the binding energy of the complexes between the template and functional monomers. On the basis of computational results, acrylamide (AAM) and toluene were selected as functional monomer and polymerization solvent, respectively. The MIP, embedded in the carbon paste electrode, functioned as a selective recognition element and pre-concentrator agent for cyanazine determination by using cathodic stripping voltammetric method. The MIP-CP electrode showed very high recognition ability in comparison with NIP-CPE. Some parameters affecting the sensor response were optimized, and then the calibration curve was plotted. A dynamic linear range of 5.0–1000 nM was obtained. The detection limit of the sensor was calculated as 3.2 nM. This sensor was successfully used for cyanazine determination in food samples.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slideHighlights► The computational approach was used for investigation of MIP for cyanazine. ► Precipitation polymerization was used for synthesis of cyanazine-MIP mediator. ► The MIPs were used as selective mediator in construction of modified CP electrode. ► This sensor has been applied for the determination of cyanazine in food samples.