Electrochemical mechanistic study of chlorpromazine oxidation in the presence of l-cysteine by digital simulation program: Introducing of EEC and EC'EC mechanisms

IF 5.7 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Surfaces and Interfaces Pub Date : 2024-09-04 DOI:10.1016/j.surfin.2024.105057

Abdollah Salimi , Nader Amini , Kazhal Naderi , Afshin Maleki , Reza Rezaee

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Abstract

New electrochemical mechanisms of chlorpromazine (CPZ) as one of the derivatives of phenothiazine and chlorpromazine in the presence of l-cysteine as an amino acid at 0.3 - 1.3 V on boron-doped diamond (BDD) electrode surface were studied using cyclic voltammetry (CV) technique for the first time. The results indicated that the electrochemical oxidation mechanism of chlorpromazine is EEC. Furthermore, the results of studying the electrochemical behavior of chlorpromazine in the presence of l-cysteine shows an electrocatalytic mechanism. According to these results, this system is implicated in the EC'EC mechanism. For both mechanisms, we studied the impact of increasing the concentration and rate of potential scanning. Digital simulation (Digital Simulation3 program) analyses were conducted using these mechanisms for cyclic voltammograms obtained on the boron-doped diamond electrode surface. Kinetic data were extracted from these voltammograms through digital simulations to estimate the heterogeneous rate constant (ks), equilibrium constant (Keq), charge-transfer coefficient (α), chemical rate constant (k_c) and diffusion coefficient (D) by comparing the experimental responses with the simulated results.

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利用数字模拟程序对氯丙嗪在 l-半胱氨酸存在下的氧化过程进行电化学机理研究：EEC 和 EC'EC 机理介绍

利用循环伏安法（CV）技术，首次研究了氯丙嗪（CPZ）作为吩噻嗪的衍生物之一和氯丙嗪在掺硼金刚石（BDD）电极表面 0.3 - 1.3 V 电压下的新电化学机理。结果表明，氯丙嗪的电化学氧化机制为 EEC。此外，研究氯丙嗪在 l-半胱氨酸存在下的电化学行为的结果表明，氯丙嗪具有电催化机制。根据这些结果，该系统与 EC'EC 机制有关。对于这两种机制，我们研究了增加浓度和电位扫描速率的影响。我们利用这些机制对掺硼金刚石电极表面获得的循环伏安图进行了数字模拟（数字模拟 3 程序）分析。通过数字模拟从这些伏安图中提取动力学数据，并将实验反应与模拟结果进行比较，从而估算出异质速率常数 (ks)、平衡常数 (Keq)、电荷转移系数 (α)、化学速率常数 (kc) 和扩散系数 (D)。

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来源期刊

Surfaces and Interfaces Chemistry-General Chemistry

CiteScore

8.50

自引率

6.50%

发文量

753

审稿时长

35 days

期刊介绍： The aim of the journal is to provide a respectful outlet for ''sound science'' papers in all research areas on surfaces and interfaces. We define sound science papers as papers that describe new and well-executed research, but that do not necessarily provide brand new insights or are merely a description of research results. Surfaces and Interfaces publishes research papers in all fields of surface science which may not always find the right home on first submission to our Elsevier sister journals (Applied Surface, Surface and Coatings Technology, Thin Solid Films)