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

Química Nova

Honório, Káthia Maria¹  Mazo, Luiz Henrique¹  Toledo, Renata Alves de¹  Universidade Federal de São Carlos, São Carlos¹  Cavalheiro, Éder Tadeu Gomes¹  Silva, Albérico Borges Ferreira da¹  Santos, Mauro Coelho dos¹  Universidade de São Paulo, São Carlos¹ 

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 presents the electrochemical and quantum chemical studies of the oxidation of the tricyclic antidepressant amitriptyline (AM) employing a carbon-polyurethane composite electrode (GPU) in a 0.1 mol L-1 BR buffer. The electrochemical results showed that the oxidation of AM occurs irreversibly at potentials close to 830 mV with the loss of one electron and one proton and is controlled by reagent and product adsorption. According to the PM3 results, the atom C16 is the region of highest probability for the oxidation of AM since it has the largest charge variation.

【 授权许可】

Unknown