Theoretical and cyclic voltammetric studies on electrocatalysis of benzethonium chloride at carbon paste electrode for detection of dopamine in presence of ascorbic acid

In the past decade, many surfactants have been used to modify carbon electrode to sense dopamine (DA). Even though plenty of works are already available on this strategy, still analyzing DA and ascorbic acid (AA) by surfactant modification is exciting and unfortunately, molecular level understanding...

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Bibliographic Details
Published in:Journal of molecular liquids 2017-08, Vol.240, p.395-401
Main Authors: Jayaprakash, Gururaj Kudur, Swamy, Bahaddurghatta Eshwaraswamy Kumara, Chandrashekar, Bananakere Nanjegowda, Flores-Moreno, Roberto
Format: Article
Language:English
Subjects:
Benzethonium chloride
Electroanalysis
Frontier molecular orbitals
Fukui
Modeling
Surfactant modification
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Summary:In the past decade, many surfactants have been used to modify carbon electrode to sense dopamine (DA). Even though plenty of works are already available on this strategy, still analyzing DA and ascorbic acid (AA) by surfactant modification is exciting and unfortunately, molecular level understanding of these types of electrode is still missing. Here, we have used benzethonium chloride modified carbon paste electrode (BzTCMCPE) to sense DA and AA at physiological conditions (pH7.4) and BzTCMCPE showed high electrocatalytic activity towards the redox activity of DA and AA (BzTCMCPE successfully resolved the anodic peaks of DA and AA). Quantum chemical modeling is helpful to know about the arrangement (adsorption) of benzethonium chloride on the electrode surface. The electrochemical behavior of the BzTCMCPE was explained using frontier molecular orbitals (FMO) and analytical Fukui functions. [Display omitted] •Benzethonium chloride modified (BzTCMCPE) prepared by simple method•BzTCMCPE resolved the anodic peaks of dopamine (DA) and ascorbic acid (AA).•Fukui functions locates redox electron transfer (ET) sites at BzTCMCPE.•Voltammetric results are in well agreement with computational interpretations.•It is first reported to use Fukui function to locate ET sites at carbon electrodes.
ISSN:0167-7322
1873-3166
DOI:10.1016/j.molliq.2017.05.093