Current trends in computational quantum chemistry studies on antioxidant radical scavenging activity

M Spiegel - Journal of Chemical Information and Modeling, 2022 - ACS Publications
The antioxidative nature of chemicals is now routinely studied using computational quantum
chemistry. Scientists are constantly proposing new approaches to investigate those …

Theoretical and experimental studies of the antioxidant and antinitrosant activity of syringic acid

QV Vo, MV Bay, PC Nam, DT Quang… - The Journal of …, 2020 - ACS Publications
Syringic acid (SA) is a natural phenolic acid found in vegetables, fruits, and other plant-
based foods. A range of biological activities were proposed for this compound including …

Synthesis, characterization, and comprehensive computational analysis of aromatic hydrazone compounds: Unveiling quantum parameters, evaluating antioxidant …

YI Touahria, N Chafai, O Moumeni, A Boublia… - Journal of Molecular …, 2024 - Elsevier
This study presents a synergistic approach encompassing experimental synthesis,
computational analysis, and antioxidant activity evaluation of two aromatic hydrazone …

Phlorizin exerts potent effects against aging induced by D-galactose in mice and PC12 cells

Y Liu, Y Liu, Y Guo, L Xu, H Wang - Food & Function, 2021 - pubs.rsc.org
Phlorizin is the main active ingredient of apple peel and has potential utilization value. Some
recent studies have suggested that phlorizin may have antioxidant capacity and protect the …

Antioxidant activity of thiourea derivatives: An experimental and theoretical study

DQ Huong, M Van Bay, PC Nam - Journal of Molecular Liquids, 2021 - Elsevier
Antioxidant ability of thiourea derivatives was characterized based on the measurement of
the color change of 2, 2-diphenyl-1-picrylhydrazyl (DPPH radical dot) and 2, 2′-azinobis (3 …

Reactions of nicotine and the hydroxyl radical in the environment: Theoretical insights into the mechanism, kinetics and products

NT Hoa, QV Vo - Chemosphere, 2023 - Elsevier
Nicotine (NCT) is a prevalent and highly poisonous tobacco alkaloid found in wastewater
discharge. Advanced oxidative processes (AOP) are radical interactions between harmful …

Assessment of the free radical scavenging potential of cannabidiol under physiological conditions: Theoretical and experimental investigations

H Boulebd, DM Pereira, IA Khodja, NT Hoa… - Journal of Molecular …, 2022 - Elsevier
Cannabidiol (CBD) is one of the most important cannabinoids found in cannabis with well-
characterized biological effects. The radical scavenging activity is one of these activities that …

The hydroperoxyl and superoxide anion radical scavenging activity of anthocyanidins in physiological environments: Theoretical insights into mechanisms and …

QV Vo, NT Hoa, NM Thong, A Mechler - Phytochemistry, 2021 - Elsevier
Abstract The HOO• and O 2•− scavenging activities of 12 natural anthocyanidins were
investigated in physiological environments by using DFT calculations. The results suggest …

The hydroperoxyl radical scavenging activity of natural hydroxybenzoic acids in oil and aqueous environments: Insights into the mechanism and kinetics

NT Hoa, HN Bich, A Mechler, QV Vo - Phytochemistry, 2022 - Elsevier
Foods that contain hydroxybenzoic acid derivatives (HBA) include red fruits, black radish,
onion, and potato peel. HBA are widely known for their anti-inflammatory, anti-cancer, and …

A thermodynamic and kinetic study of the antioxidant activity of natural hydroanthraquinones

QV Vo, NM Thong, T Le Huyen, PC Nam, NM Tam… - RSC …, 2020 - pubs.rsc.org
Novel hydroanthraquinones isolated from marine algal-derived endophytic fungus
Talaromyces islandicus EN-501 exhibited promising antioxidant properties in preliminary …