Scavenging mechanism of curcumin toward the hydroxyl radical: a theoretical study of reactions producing ferulic acid and vanillin
N Agnihotri, PC Mishra - The Journal of Physical Chemistry A, 2011 - ACS Publications
Curcumin is known to be an antioxidant, as it can scavenge free radicals from biological
media. A sequence of H-abstraction and addition reactions involving up to eight OH radicals …
media. A sequence of H-abstraction and addition reactions involving up to eight OH radicals …
Role of the reacting free radicals on the antioxidant mechanism of curcumin
Density functional theory is used to study the antioxidant mechanism of curcumin. Five
different mechanisms are considered: single electron transfer (SET), radical adduct …
different mechanisms are considered: single electron transfer (SET), radical adduct …
Detailed investigation of the OH radical quenching by natural antioxidant caffeic acid studied by quantum mechanical models
M Leopoldini, SG Chiodo, N Russo… - Journal of Chemical …, 2011 - ACS Publications
The effectiveness of naturally occurring antioxidant caffeic acid in the inactivation of the very
damaging hydroxyl radical has been theoretically investigated by means of hybrid density …
damaging hydroxyl radical has been theoretically investigated by means of hybrid density …
Mechanistic pathways for the reaction of quercetin with hydroperoxy radical
ZS Marković, JM Dimitrić Marković… - Theoretical Chemistry …, 2010 - Springer
The extensive theoretical study of the interaction of one of the most abundant and reactive
flavonols, quercetin, with hydroperoxy radical (HOO·), using the M052X/6-31+ Gd, p level of …
flavonols, quercetin, with hydroperoxy radical (HOO·), using the M052X/6-31+ Gd, p level of …
Free radical scavenging by natural polyphenols: Atom versus electron transfer
Polyphenols (synthetically modified or directly provided by human diet) scavenge free
radicals by H-atom transfer and may thus decrease noxious effects due to oxidative stress …
radicals by H-atom transfer and may thus decrease noxious effects due to oxidative stress …
Curcumin analogues with improved antioxidant properties: A theoretical exploration
A Purushothaman, KST Rose, JM Jacob, R Varatharaj… - Food Chemistry, 2022 - Elsevier
Curcumin, a ubiquitous dietary molecule, is a versatile antioxidant that fights against free
radicals. The antioxidant activity of curcumin and its structural analogues such as hispolon …
radicals. The antioxidant activity of curcumin and its structural analogues such as hispolon …
Quantum molecular modeling of quercetin—Simulation of the interaction with the free radical t‐BuOO⋅*
D Vasilescu, R Girma - International journal of quantum …, 2002 - Wiley Online Library
Quercetin is one of the most potent antioxidants belonging to the flavonoids, which are a
naturally occurring family of molecules. The optimized forms of the 3′‐, 4′‐, 3‐, 5‐, and 7 …
naturally occurring family of molecules. The optimized forms of the 3′‐, 4′‐, 3‐, 5‐, and 7 …
Capsaicin, a tasty free radical scavenger: mechanism of action and kinetics
A Galano, A Martínez - The journal of physical chemistry B, 2012 - ACS Publications
The free radical scavenging activity of capsaicin (CAP), which is the pungent component of
hot chili peppers, has been studied in aqueous and lipid solutions, using the density …
hot chili peppers, has been studied in aqueous and lipid solutions, using the density …
Kinetic solvent effects on the reaction between flavonoid naringenin and 2, 2-diphenyl-1-picrylhydrazyl radical in different aqueous solutions of ethanol: An …
Kinetic study of the reaction of flavonoid naringenin with the stable free radical 2, 2-diphenyl-
1-picrylhydrazyl (DPPH) was performed in different percentage compositions of aqueous …
1-picrylhydrazyl (DPPH) was performed in different percentage compositions of aqueous …
Theoretical study on the antioxidant activity of curcumin
YM Sun, RX Wang, SL Yuan, XJ Lin… - Chinese Journal of …, 2004 - Wiley Online Library
The computational results for curcumin at the B3LYP/6‐31G (d, p) level show that the enol
form of curcumin is more stable than the diketo form because of an intramolecular hydrogen …
form of curcumin is more stable than the diketo form because of an intramolecular hydrogen …