Adrenaline and noradrenaline: protectors against oxidative stress or molecular targets?
R Álvarez-Diduk, A Galano - The Journal of Physical Chemistry B, 2015 - ACS Publications
Density functional theory was used to investigate the potential role of neurotransmitters
adrenaline and noradrenaline regarding oxidative stress. It is predicted that they can be …
adrenaline and noradrenaline regarding oxidative stress. It is predicted that they can be …
Mechanism of thermal decomposition of HFO-1234yf by DFT study
H Zhang, C Liu, X Xu, Q Li - International Journal of Refrigeration, 2017 - Elsevier
Twenty-two chemical reaction pathways of thermal decomposition of 2, 3, 3, 3-tetrafluoro-1-
propene (HFO-1234yf, CF 3 CFdouble bondCH 2) are proposed to investigate the formation …
propene (HFO-1234yf, CF 3 CFdouble bondCH 2) are proposed to investigate the formation …
Experimental and theoretical studies on the effect of Al (OH) 3 on the fire-extinguishing performance of superfine ABC dry powder
C Zhang, H Li, X Guo, S Li, H Zhang, X Pan, M Hua - Powder Technology, 2021 - Elsevier
A new type of dry powder fire extinguishing agent was prepared, which was called
composite superfine dry powder with Aluminum Trihydrate (CSFP-ATH). The CSFP-ATH …
composite superfine dry powder with Aluminum Trihydrate (CSFP-ATH). The CSFP-ATH …
The reaction pathway analysis of phosphoric acid with the active radicals: a new insight of the fire-extinguishing mechanism of ABC dry powder
H Li, M Hua, X Pan, S Li, X Guo, H Zhang… - Journal of molecular …, 2019 - Springer
Dry powder fire-extinguishing agent is one of Halon substitutes due to its superior fire-
extinguishing performance, non-toxicity, and environmental friendliness. As one of the most …
extinguishing performance, non-toxicity, and environmental friendliness. As one of the most …
Dual antioxidant/pro-oxidant behavior of the tryptophan metabolite 3-hydroxyanthranilic acid: A theoretical investigation of reaction mechanisms and kinetics
A Pérez-González, JR Alvarez-Idaboy… - New Journal of …, 2017 - pubs.rsc.org
The antioxidant and pro-oxidant behavior of 3-hydroxyanthranilic acid was investigated
using density functional theory. In the absence of metal ions 3-hydroxyanthranilic acid acts …
using density functional theory. In the absence of metal ions 3-hydroxyanthranilic acid acts …
Atmospheric chemistry of CHF2CF2OCH2CF3: Reactions with Cl atoms, fate of CHF2CF2OC• HCF3 radical, formation of OH radical and Criegee Intermediate
The kinetics and mechanism for hydrogen abstraction reactions of CHF 2 CF 2 OCH 2 CF 3
with Cl atoms were studied using the DFT-based M06-2X/6-311++ G (d, p) quantum …
with Cl atoms were studied using the DFT-based M06-2X/6-311++ G (d, p) quantum …
Tropospheric degradation of HFE-7500 [n-C3F7CF (OCH2CH3) CF (CF3) 2] initiated by OH radicals and fate of alkoxy radical [n-C3F7CF (OCH (O) CH3) CF (CF3) 2] …
Abstract Degradation of HFE-7500 [nC 3 F 7 CF (OCH 2 CH 3) CF (CF 3) 2] have been
studied by OH radicals using Density functional theory (DFT) approach. We have considered …
studied by OH radicals using Density functional theory (DFT) approach. We have considered …
Assessing the protective activity of a recently discovered phenolic compound against oxidative stress using computational chemistry
Y Villuendas-Rey, JR Alvarez-Idaboy… - Journal of Chemical …, 2015 - ACS Publications
The protection exerted by 3, 5-dihydroxy-4-methoxybenzyl alcohol (DHMBA), a phenolic
compound recently isolated from the Pacific oyster, against oxidative stress (OS) is …
compound recently isolated from the Pacific oyster, against oxidative stress (OS) is …
Limonene: A scented and versatile tropospheric free radical deactivator
M Francisco‐Márquez, A Galano - International Journal of …, 2023 - Wiley Online Library
The reactions of limonene with various free radicals (• OCH3,• OBr,• SH,• OOH, and•
OOCH3) were investigated along the 273.15–312.15 K temperature range. To that purpose …
OOCH3) were investigated along the 273.15–312.15 K temperature range. To that purpose …
Process hazard and decomposition mechanism of benzoyl peroxide in the presence of incompatible substances
A Yu, N Zhou, X Liang, M Hua, X Pan, Y Jiang… - Journal of Molecular …, 2023 - Elsevier
Benzoyl peroxide (BPO) is a hazardous chemical, which is incompatible with many
substances. Due to its high thermal sensitivity, it reacts violently with organic chemicals and …
substances. Due to its high thermal sensitivity, it reacts violently with organic chemicals and …