Synthesis and application of core-shell magnetic molecularly imprinted polymer for the selective extraction of metronidazole from biological fluids: Isotherms and kinetic

In this work, a molecular imprinted polymer as a novel selective sorbent for extraction ofmetronidazole from plasma sample was prepared. For selecting a more suitable monomer and polymerization solvent a methodology based on density functional theory calculations was developed. This computational design is based on the comparison of energies of the prepolymerization adducts between the template and different functional monomers. The effect of polymerization solvent was studied using of polarizable continuum model. First of all structures were drawn separately and complex using software Guassian view. The structures optimization was performed using DFT computations at B3LYP level with 6-311G(d) basis set. The outputs were investigated to determine interaction hydrogen using the mechanical quantum and natural bond orbital. The polymers were characterized by techniques such Fourier transform infrared spectroscopy and scanning electron microscopy. The removal mechanism drugs was evaluated by using Langmuir and Freundlich isotherin. This MIP was used as a selective sorbent in coupled with high performance liquid chromatography for rapid screening of metronidazol.