Binding characteristics of molecularly imprinted polymers based on fungicides in hydroalcoholic media

Abstract

An iprodione-imprinted polymer was prepared by copolymerization of methacrylamide and ethylene glycol dimethacrylate using a noncovalent imprinting approach. Methacrylamide was chosen using molecular dynamics simulations. To concentrate iprodione from hydro-alcoholic solutions, batch sorption of iprodione on the imprinted polymer were conducted. The equilibrium time for iprodione sorption is 20 min, and the corresponding kinetic mechanism follows the pseudo-second order indicating a strong interaction between iprodione and the imprinted polymer. Langmuir, Freundlich, and Dubinin-Radushkevich models were used to fit the isotherm of iprodione sorption. The imprinted polymer was found to be more efficient than the nonimprinted polymer for the uptake of iprodione, as revealed by its higher adsorption energy, affinity, and capacity. Finally, a selectivity study was conducted on the imprinted and the nonimprinted polymers to sorb three fungicides. It shows that the imprinted polymer could be used as a preconcentration phase in a multiresidue analysis of fungicides in hydroalcoholic medium.

Computational design and fabrication of core–shell magnetic molecularly imprinted polymer for dispersive micro‐solid‐phase extraction coupled with high‐performance liquid chromatography for the determination of rhodamine 6G

“…The results shown in Supporting Information Fig. S5A, S5B, and Supporting Information Table S3 reveal that Langmuir model fits better than the Freundlich model, demonstrating that the adsorption of Rh6G can be considered to be a monolayer adsorption process . Moreover, the saturated adsorption capacities of MIP@SiO 2 @Fe 3 O 4 for Rh6G are higher than that of both B‐free MIP and NIP@SiO 2 @Fe 3 O 4 , manifesting that B(Ш) doping can improve the adsorption capacity of MIP@SiO 2 @Fe 3 O 4 .…”

An Update on Molecularly Imprinted Polymer Design through a Computational Approach to Produce Molecular Recognition Material with Enhanced Analytical Performance

“…Thus, identifying functional monomers that have a strong interaction with the template is crucial for the success of MIP synthesis [44]. The binding energy is used to evaluate quantitatively this interaction [45].…”

Preparation of magnetic glycoprotein‐imprinted nanoparticles with dendritic polyethyleneimine as a monomer for the specific recognition of ovalbumin from egg white

“…Molecularly imprinted polymers (MIPs) with selective binding sites possess the ability of recognizing target molecules. They are prepared by co‐polymerization of functional and cross‐linking monomers in the presence of the target molecules, and then removing the target molecules . The binding cavities of the MIPs are complementary in shape, size, and functionality with respect to the target molecules, thus leading to specifically identification the target molecules.…”