Reza Samimi; Reza Mortazavi; Simin Mansouri; Zohre Fathi; Foroozan Hasanpour
Abstract
Computational and experimental approach on standard redox potential of dobutamine was developed in aqueous media. A direct and indirect calibrated B3LYP/6-311++G (d, p) method predicted the aqueous phase redox potential of dobutamine as 0.850 V Respectively. The electronic densities of dobutamine calculation ...
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Computational and experimental approach on standard redox potential of dobutamine was developed in aqueous media. A direct and indirect calibrated B3LYP/6-311++G (d, p) method predicted the aqueous phase redox potential of dobutamine as 0.850 V Respectively. The electronic densities of dobutamine calculation at oxidation and reduction state in HOMO and LUMO proved that energies of dobutamine LUMO in oxidation form are lower than dobutamine LUMO in reduction. Therefore, the electron transfer from HOMO to LUMO in dobutamine oxidation form is easier than in dobutamine reduction form. The experimental E° was obtained using cyclic voltammetry at activated glassy carbon electrode as 0.79V versus SHE. The results show that there is a satisfactory agreement between the experimental and computational standard potential value of dobutamine.
Arash Mohammadinejad; Mahmoud Ebrahimi; Ali Morsali; Zarrin Es’haghi; Hamed Chegini; Abdolhossein Ebrahimitalab
Volume 3, Issue 1 , March 2016, , Pages 27-37
Abstract
In this work, a carbon paste electrode modified with multiwall carbon nanotubes (MWCNTPE) was used for the sensitive voltammetric determination of acetaminophen (AC) in biological and pharmaceutical samples. The electrochemical behavior of acetaminophen was investigated employing cyclic voltammetry. ...
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In this work, a carbon paste electrode modified with multiwall carbon nanotubes (MWCNTPE) was used for the sensitive voltammetric determination of acetaminophen (AC) in biological and pharmaceutical samples. The electrochemical behavior of acetaminophen was investigated employing cyclic voltammetry. It was revealed that the standard electrode potential of half reaction for AC(O), H+/AC(R) was 0.898 V. under the optimized experimental conditions, the oxidation peak current for acetaminophen was found to vary linearly with concentration range of 0.12 to 99 µM with detection limit of 0.06 µM using differential pulse voltammetry. DFT-B3LYP/6-31G (d,p) and HF/6-31G (d,p) calculations were performed for deoxidized acetaminophen (AC(R)) and its oxidized form (AC(O)). The calculated standard electrode potentials are relatively in agreement with experimental data. This electrode was employed for determination of acetaminophen in hospital waste water, hair, blood and pharmaceutical samples considering its high sensitivity, low detection limit, good reproducibility and its non-existent interference at trace levels in clinical and quality control laboratories.
