Estudo eletroquímico e químico-quântico da oxidação do antidepressivo tricíclico amitriptilina Electrochemical and quantum-chemical studies of the oxidation of the antidepressant amitriptyline

• Main Authors: Renata Alves de Toledo, Luiz Henrique Mazo, Mauro Coelho dos Santos, Káthia Maria Honório, Albérico Borges Ferreira da Silva, Éder Tadeu Gomes Cavalheiro
• Format: Article
• Language: English
• Published: Sociedade Brasileira de Química 2005-06-01
• Series: Química Nova
• Subjects: amitriptyline; composite electrode; PM3 semi-empirical method
• Online Access: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422005000300017
• ISSN: 0100-4042; 1678-7064

<abstract language="eng">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.