A DFT investigation on the structural and antioxidant properties of new isolated interglycosidic O-(1 → 3) linkage flavonols

GLC de Souza, LMF de Oliveira, RG Vicari… - Journal of molecular …, 2016 - Springer
We present a computational study on two flavonols that were recently isolated from
Loranthaceae family plant extracts: kaempferol 3-O-α-L-arabinofuranosyl-(1→ 3)-α-L …

Improving synthetic hindered phenol antioxidants: learning from vitamin E

KD Breese, JF Lamèthe, C DeArmitt - Polymer degradation and stability, 2000 - Elsevier
The efficiency of various commercial hindered phenol antioxidants was studied using
differential scanning calorimetry (DSC) to determine the oxidation induction time (OIT) of …

Pairwise substitution effects, inter-and intramolecular hydrogen bonds in methoxyphenols and dimethoxybenzenes. Thermochemistry, calorimetry, and first-principles …

MA Varfolomeev, DI Abaidullina… - The Journal of …, 2010 - ACS Publications
Methoxyphenols are the structural fragments of different antioxidants and biologically active
molecules, which are able to form strong intermolecular and intramolecular hydrogen bonds …

Alkylresorcinols as antioxidants: hydrogen donation and peroxyl radical‐scavenging effects

A Kamal‐Eldin, A Pouru, C Eliasson… - Journal of the Science …, 2001 - Wiley Online Library
Alkylresorcinols, resorcinol derivatives with a long hydrocarbon chain at position 5 of the
phenolic ring, have been reported to act as antioxidants and protect polyunsaturated fatty …

The S− H bond dissociation enthalpies and acidities of para and meta substituted thiophenols: a quantum chemical study

AK Chandra, PC Nam, MT Nguyen - The Journal of Physical …, 2003 - ACS Publications
The accurate S− H bond dissociation enthalpies [BDE (S− H)] for a series of meta and para
substituted thiophenols (X− C6H4− SH, X= H, F, Cl, CH3, OCH3, NH2, CF3, CN, and NO2) …

Antioxidants in chemistry and biology

L Valgimigli, DA Pratt - … of radicals in chemistry, biology and …, 2012 - Wiley Online Library
Antioxidants are omnipresent in nature and industry; they are used to slow down the
autoxidative degradation of both organic tissues and petroleum‐derived products. Various …

A DFT study on the radical scavenging activity of maritimetin and related aurones

N Nenadis, MP Sigalas - The Journal of Physical Chemistry A, 2008 - ACS Publications
The radical scavenging activity of maritimetin and a series of synthetic aurones has been
studied by using density functional theory with the B3LYP exchange correlation functional …

Cysteinyl-flavan-3-ol conjugates from grape procyanidins. Antioxidant and antiproliferative properties

JL Torres, C Lozano, L Julia, FJ Sánchez-Baeza… - Bioorganic & medicinal …, 2002 - Elsevier
New bio-based antioxidant compounds have been obtained by depolymerisation of grape
polymeric flavanols in the presence of cysteine. Their preparation and purification, as well as …

Important role of reaction field in photodegradation of deca-bromodiphenyl ether: theoretical and experimental investigations of solvent effects

Q Xie, J Chen, J Shao, H Zhao, C Hao - Chemosphere, 2009 - Elsevier
Photolysis of deca-bromodiphenyl ether (BDE-209) was investigated in tetrahydrofuran,
dichloromethane, isopropanol, acetone, ethanol, methanol, acetonitrile and …

Mechanisms of Sb (III) oxidation mediated by low molecular weight phenolic acids

T Wu, W Qin, ME Alves, G Fang, Q Sun, P Cui… - Chemical Engineering …, 2019 - Elsevier
Quinone-like moieties are active components of natural organic matter (NOM), whose redox
reactions may exert substantial influence on the behavior of trace metals in natural waters …