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

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 DMSOMeOH [9010%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 microg ml[-1] with a limit of detection 0.01 microg ml/[-1]. The relative standard deviation at 0.5 microg ml/[1] was 4.76% [n=5]. The mean recoveries of 5 microg ml/[-1] MTP from plasma was 92.2% [n=5]. The data of MISPE-DPV were compared with the M1SPE-HPLC-UV. Although, the MISPE-DPV was more sensitive but both techniques have similar accuracy and precision