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Reference type: Journal
Authors: Khodadadian M, Ahmadi F
Article Title: Computer-assisted design and synthesis of molecularly imprinted polymers for selective extraction of acetazolamide from human plasma prior to its voltammetric determination.
Publication date: 2010
Journal: Talanta
Volume: 81
Issue: (4-5)
Page numbers: 1446-1453.
DOI: 10.1016/j.talanta.2010.02.049
Alternative URL: http://www.sciencedirect.com/science/article/B6THP-4YG7JRP-2/2/c5cc7944b63cd2656f8e1e32b3e560bb

Abstract: Molecularly imprinted polymers (MIPs) were computationally designed and synthesized for the selective extraction of a carbonic anhydrase inhibitor, i.e. acetazolamide (ACZ), from human plasma. Density functional theory (DFT) calculations were performed to study the intermolecular interactions in the pre-polymerization mixture and to find a suitable functional monomer in MIP preparation. The interaction energies were corrected for the basis set superposition error (BSSE) using the counterpoise (CP) correction. The polymerization solvent was simulated by means of polarizable continuum model (PCM). It was found that acrylamide (AAM) is the best candidate to prepare MIPs. To confirm the results of theoretical calculations, three MIPs were synthesized with different functional monomers and evaluated using Langmuir-Freundlich (LF) isotherm. The results indicated that the most homogeneous MIP with the highest number of binding sites is the MIP prepared by AAM. This polymer was then used as a selective adsorbent to develop a molecularly imprinted solid-phase extraction procedure followed by differential pulse voltammetry (MISPE-DPV) for clean-up and determination of ACZ in human plasma
Template and target information: acetazolamide, ACZ
Author keywords: molecularly imprinted polymer (MIP), Density functional theory (DFT), Acetazolamide, Solid-Phase Extraction (SPE), differential pulse voltammetry (DPV)

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