Synthesis and application of core-shell magnetic molecularly imprinted polymer for the selective extraction of metronidazole from biological fluids: Isotherms and kinetic
Subject Areas : Journal of Quality and Durability of Agricultural Products and Food StuffsRaheleh Sanjari 1 , maryam kazemipour 2 , mehdi ansari 3 , leila zeidabadinejad 4
1 - PhD student, Department of Chemistry, Kerman Branch, Islamic Azad University, Kerman, Iran
2 - Professor, Department of Chemistry, Kerman Branch, Islamic Azad University, Kerman, Iran
3 - Professor, Department of Drug and Food Control, Faculty of Pharmacy, Kerman University of Medical Sciences, Kerman, Iran
4 - Assistant Professor, Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran
Keywords: Molecular imprinting polymer, Deep eutectic solvent. Density functional theory calculations, metronidazole,
Abstract :
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.
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