Melatonin and its metabolites as chemical agents capable of directly repairing oxidized DNA

A Pérez‐González, R Castañeda‐Arriaga… - Journal of pineal …, 2019 - Wiley Online Library
Oxidative stress mediates chemical damage to DNA yielding a wide variety of products. In
this work, the potential capability of melatonin and several of its metabolites to repair directly …

N-Acetylserotonin and 6-Hydroxymelatonin against Oxidative Stress: Implications for the Overall Protection Exerted by Melatonin

R Álvarez-Diduk, A Galano, DX Tan… - The Journal of Physical …, 2015 - ACS Publications
The protection exerted by N-acetylserotonin (NAS) and 6-hydroxymelatonin (6OHM) against
oxidative stress was investigated using the density functional theory. It was found that these …

Coumarin–chalcone hybrids as peroxyl radical scavengers: Kinetics and mechanisms

G Mazzone, A Galano, JR Alvarez-Idaboy… - Journal of Chemical …, 2016 - ACS Publications
The primary antioxidant activity of coumarin–chalcone hybrids has been investigated using
the density functional and the conventional transition state theories. Their peroxyl radical …

Strategic design, theoretical insights, synthesis, and unveiling antioxidant potential in a novel ascorbic acid analog

TEA Ardjani, S Daoudi, MR Benaissa… - Journal of molecular …, 2024 - Springer
Context In this study, we investigated the antioxidant potential of a novel ascorbic acid
analog, DsD, assessing its interactions with the methylperoxyl (CH3OO·) radical in aqueous …

Radical scavenging activity of ascorbic acid analogs: Kinetics and mechanisms

TEA Ardjani, JR Alvarez-Idaboy - Theoretical Chemistry Accounts, 2018 - Springer
In the present work, the antioxidant activity of four ascorbic acid analogs has been studied at
the M05-2X/6-31G+ (d) computational level using the conventional transition state theory in …

Radical scavenging activity of bromophenol analogs: analysis of kinetics and mechanisms

S Hachemaoui, TEA Ardjani, H Brahim… - Journal of Molecular …, 2024 - Springer
Context This theoretical study explores the antioxidant activity of five bromophenol analogs,
with a particular focus on their interaction with different solvent environments of varying …

A combined experimental–theoretical study of the acid–base behavior of mangiferin: implications for its antioxidant activity

G Mendoza-Sarmiento, A Rojas-Hernández, A Galano… - Rsc Advances, 2016 - pubs.rsc.org
Acidity constants of mangiferin (H4MGF) in DMSO/H2O (80%/20%, v/v) were determined by
UV-Visible and 1H and 13C NMR spectroscopies. UV-Visible absorption spectra in the 4.2≤ …

Theoretical studies on CH4 combustion in O2/H2O atmosphere

X Liu, S Yin, S Zhao, L Yang, S Sun, J Zhang - … and Theoretical Chemistry, 2021 - Elsevier
The hydroxyl radical reactions are of extremely significant in combustion chemistry. Direct
dynamics simulations are used to study the atomic-level mechanisms of OH (H 2 O) n+ CH 4 …

Experimental and Computational Study of the Thermal Decomposition of 3‐Methyl‐3‐buten‐1‐ol in m‐Xylene Solution

J Quijano, P Ruiz, R Notario, E Zapata… - International Journal of …, 2014 - Wiley Online Library
An experimental study of the thermal decomposition of a β‐hydroxy alkene, 3‐methyl‐3‐
buten‐1‐ol, in m‐xylene solution, has been carried out at five different temperatures in the …