Electrochemical and computational studies of phenolic antioxidants from cashew nut shell liquid

Autor:	Adriana N. Correia, Francisco Jonas Nogueira Maia, Diego Lomonaco, Túlio Ítalo S. Oliveira, Thiago M.B.F. Oliveira, Selma Elaine Mazzeto, Mayara Oliveira de Almeida, Claudenilson da Silva Clemente, Pedro de Lima-Neto
Rok vydání:	2012
Předmět:	Cardanol General Chemical Engineering Shell (structure) Square wave voltammetry Electrochemistry chemistry.chemical_compound chemistry Organic chemistry Cashew nut Cyclic voltammetry HOMO/LUMO Derivative (chemistry) Nuclear chemistry
Zdroj:	Electrochimica Acta. 79:67-73
ISSN:	0013-4686
DOI:	10.1016/j.electacta.2012.06.086
Popis:	This work studied the antioxidant action of technical CNSL constituents, cardol (CD) and cardanol (CDN), and its synthetic derivative terc-butylated cardanol (terc-CDN) by electrochemical and computational methods. The electrochemical analyses were performed by square wave voltammetry and cyclic voltammetry in different pHs. The results showed that all compounds presented lower oxidation potentials when compared to the commercial product BHT (Epa = 0.989 V). Cardol presented the best values (Epa = 0.665 V), followed by terc-CDN (Epa = 0.682 V) and CDN (Epa = 0.989 V). The energy of the HOMO and LUMO orbitals, the Milliken charge and the analysis of molecular convergence obtained by computational methods confirmed the results obtained in electrochemical analysis proving that both techniques can be efficiently applied to this type of study.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f0e931b08de5849eccdb9d083f6a7dea https://doi.org/10.1016/j.electacta.2012.06.086 Zobrazit plný text záznamu Full Text from ScienceDirect