Exploring the Theoretical and Electrochemical Attributes of Paracetamol Drug

Document Type : Review Article

Authors

1 Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran

2 Department of Chemistry, Faculty of Science, University of Qom. Qom, Iran.

3 Department of Chemistry, Faculty of Science, University of Qom. Qom, Iran

10.22091/jaem.2024.10349.1009

Abstract

Paracetamol is a widely used analgesic with high efficacy and minimal side effects, making it a preferred choice for patients with stomach ulcers or internal bleeding. This study investigates the electrooxidation of paracetamol using advanced electrochemical techniques, including cyclic voltammetry (CV), chronoamperometry (CA), and electrochemical impedance spectroscopy (EIS). Key parameters were optimized to enhance oxidation current, lower oxidation potential, and mitigate interference from competing species. Voltammetric analysis demonstrated that paracetamol significantly influences electrochemical responses, particularly on graphene-based electrodes, highlighting its strong redox activity. Complementary quantum chemical analyses—density functional theory (DFT) and quantum theory of atoms in molecules (QTAIM)—were employed to elucidate paracetamol’s electronic and vibrational properties. Furthermore, the effects of an external electric field on intramolecular charge and energy transfer were examined to assess its potential for targeted drug delivery. Molecular simulations revealed that the electronic and vibrational behavior of paracetamol is highly sensitive to the magnitude and orientation of the applied field. These findings provide deeper insights into paracetamol’s redox mechanisms and its interactions under electrochemical and field-induced conditions, paving the way for optimized drug formulations and delivery systems.

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Advances in Energy and Materials Research
Volume 1, Issue 4
December 2024
Pages 35-42

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