Electrochemical and quantum-chemical studies of the oxidation of the antidepressant amitriptyline

Quimica nova

Santos, Mauro Coelho dos¹  Honório, Káthia Maria²  Mazo, Luiz Henrique²  Toledo, Renata Alves de²  Silva, Albérico Borges Ferreira da²  Cavalheiro, Éder Tadeu Gomes² 

[1] Universidade Federal de São Carlos, São Carlos;Universidade de São Paulo, São Carlos

关键词: amitriptyline;    composite electrode;    PM3 semi-empirical method.;   

DOI  :  10.1590/S0100-40422005000300017

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

This work presentsthe electrochemical and quantum chemical studies of the oxidation of the tricyclicantidepressant amitriptyline (AM) employing a carbon-polyurethane compositeelectrode (GPU) in a 0.1 mol L-1 BR buffer. The electrochemical resultsshowed that the oxidation of AM occurs irreversibly at potentials close to 830mV with the loss of one electron and one proton and is controlled by reagentand product adsorption. According to the PM3 results, the atom C16 is the regionof highest probability for the oxidation of AM since it has the largest chargevariation.

【 授权许可】

CC BY