Antioxidant Potential of Novel Designed Phenolic Derivatives: Computational Insights

Autor:	D. R. Pandithavidana, Kushani S. K. Hewage
Rok vydání:	2020
Předmět:	Chemistry General Chemical Engineering 02 engineering and technology General Chemistry Antioxidant potential 010402 general chemistry 021001 nanoscience & nanotechnology 0210 nano-technology 01 natural sciences Combinatorial chemistry 0104 chemical sciences
Zdroj:	Chemistry & Chemical Technology. 14:448-454
ISSN:	1996-4196
DOI:	10.23939/chcht14.04.448
Popis:	Density functional theory calculations were applied for designed phenolic antioxidant derivatives. The reaction enthalpies related to various mechanisms of primary antioxidant action were deliberated in detail. How antioxidant activity of designed phenolic compounds has been perturbed by electron donor and withdrawing substituents present at ortho, meta and para positions, allylic conjugation and the dimerization effect were computed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7f3450c88cf73ff6f98a236b9517b21a https://doi.org/10.23939/chcht14.04.448 Zobrazit plný text záznamu