Theoretical Study of the Iron Complexes with Lipoic and Dihydrolipoic Acids: Exploring Secondary Antioxidant Activity

The thermodynamic stability of twenty-nine Fe(III) complexes with various deprotonated forms of lipoic (LA) and dihydrolipoic (DHLA) acids, with coordination numbers 4, 5 and 6, is studied at the M06(SMD)/6-31++G(d,p) level of theory in water under physiological pH conditions at 298.15 K. Even thoug...

Descripción completa

Detalles Bibliográficos
Autores principales: Monreal-Corona, Roger, Biddlecombe, Jesse, Ippolito, Angela, Mora-Diez, Nelaine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7465238/
https://www.ncbi.nlm.nih.gov/pubmed/32731543
http://dx.doi.org/10.3390/antiox9080674

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7465238/
https://www.ncbi.nlm.nih.gov/pubmed/32731543
http://dx.doi.org/10.3390/antiox9080674

Ejemplares similares