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Ahmadi F, Karamian E. Computational aided-molecular imprinted polymer design for solid phase extraction of metaproterenol from plasma and determination by voltammetry using modified carbon nanotube electrode. Iran J Pharm Res. 2014;13(2):417-29
Ahmadi, F., & Karamian, E. (2014). Computational aided-molecular imprinted polymer design for solid phase extraction of metaproterenol from plasma and determination by voltammetry using modified carbon nanotube electrode. Iranian journal of pharmaceutical research : IJPR, 13(2), 417-29.
Ahmadi, Farhad, and Karamian, Ehsan. "Computational aided-molecular imprinted polymer design for solid phase extraction of metaproterenol from plasma and determination by voltammetry using modified carbon nanotube electrode." Iranian journal of pharmaceutical research : IJPR vol. 13,2 (2014): 417-29.
Ahmadi F, Karamian E. Computational aided-molecular imprinted polymer design for solid phase extraction of metaproterenol from plasma and determination by voltammetry using modified carbon nanotube electrode. Iran J Pharm Res. 2014;13(2):417-29. PMID: 25237337; PMCID: PMC4157017.
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Iran J Pharm Res. 2014;13(2):417-29.

Computational aided-molecular imprinted polymer design for solid phase extraction of metaproterenol from plasma and determination by voltammetry using modified carbon nanotube electrode.

Iranian journal of pharmaceutical research : IJPR

Farhad Ahmadi, Ehsan Karamian

Affiliations

  1. Nano Drug Delivery Research Center, Faculty of Pharmacy, Kermanshah Universityof Medical Sciences, Kermanshah, Iran. ; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Kermanshah University of Medical Science, Kermanshah, Iran.
  2. Pharmaceutical Chemistry Department, Faculty of Pharmacy, Kermanshah University of Medical Science, Kermanshah, Iran.

PMID: 25237337 PMCID: PMC4157017

Abstract

A molecular imprinted polymer (MIP) was computationally designed and synthesized for the selective extraction of metaproterenol (MTP), from human plasma. In this regards semi empirical MP3 and mechanical quantum (DFT) calculations were used to find a suitable functional monomers. On the basis of computational and experimental results, acrylic acid (AA) and DMSO:MeOH (90:10 %V/V) were found to be the best choices of functional monomer and polymerization solvents, respectively. This polymer was then used as a selective sorbent to develop a molecularly imprinted solid-phase extraction (MISPE) procedure followed by differential pulse voltammetry by using modified carbon nanotube electrode. The analysis was performed in phosphate buffer, pH 7.0. Peak currents were measured at +0.67 V versus Ag/AgCl. The linear calibration range was 0.026-8.0 μg mL(-1) with a limit of detection 0.01 μg mL(-1). The relative standard deviation at 0.5 μg mL(-1) was 4.76% (n=5). The mean recoveries of 5 μg mL(-1) MTP from plasma was 92.2% (n=5). The data of MISPE-DPV were compared with the MISPE-HPLC-UV. Although, the MISPE-DPV was more sensitive but both techniques have similar accuracy and precision.

Keywords: Computational molecular modeling; Doping control; Metaproterenol; Modified carbon nano tube electrode; Molecularly imprinted polymer

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