Keywords: انتقال اتمی هیدروژن; Photoredox catalysis; Alkoxy radical; Hydrogen atom transfer; β-Scission; CH functionalization;
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Keywords: انتقال اتمی هیدروژن; Methimazole (MTI); MMI benzimidazole derivative (MTBI); Structural characterization; Phototautomerism; Hydrogen atom transfer; Matrix isolation infrared spectroscopy;
Keywords: انتقال اتمی هیدروژن; Carbonic acid; Ammonia-water complex; Transition state theory; Hydrogen atom transfer;
Keywords: انتقال اتمی هیدروژن; Free radicals scavengers; Copper chelation; Copper scavengers; Hydrogen atom transfer; Radical adduct formation;
Keywords: انتقال اتمی هیدروژن; 2OHM; 2-hydroxymelatonin; 4OHM; 4-hydroxymelatonin; OS; oxidative stress; FR; free radicals; OIL; OH-inactivating ligand; HOO; hydroperoxyl radical; ROO; peroxyl radicals; DFT; Density Functional Theory; SMD; solvation model based on density; HAT; hydroge
Keywords: انتقال اتمی هیدروژن; Hydrazone; Antioxidant; Hydrogen atom transfer; Single electron transfer; Spin density (SD); Bond dissociation energy (BDE);
Keywords: انتقال اتمی هیدروژن; Thiyl radicals; Hydrogen atom transfer; Carbon-centered radicals; D-Amino acids; Glutathione; Free radicals;
Keywords: انتقال اتمی هیدروژن; Minoxidil; Polyamines; Conjugates; Antioxidant activities; Anti-inflammatory activities; Lipoxygenase inhibitors; Lipid peroxidation; Cytotoxicity; AAPH; 2,2-azo-bis(2-amidinopropane) dihydrochloride; ABTS; 2,2â²-azinobis(3-ethylbenzothiazoline-6-sulfoni
Keywords: انتقال اتمی هیدروژن; Lipid oxidation; Maillard reaction; Maillard reaction products; Antioxidant mechanism; Antibrowning; Free radicals; Reducing capacity; Metal chelation; AAPH; 2,2â²-azobis(2-amidinopropane) dihydrochloride; XTT; 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-2H
The natural food colorant Peonidin from cranberries as a potential radical scavenger - A DFT based mechanistic analysis
Keywords: انتقال اتمی هیدروژن; OS; Oxidative Stress; ROS; Reactive Oxygen Species; RNS; Reactive Nitrogen Species; PG; Pelargonidin; CY; Cyanidin; DP; Delphinidin; PN; Peonidin; PT; Petunidin; MA; Malvidin; DFT; Density Functional Theory; HF; Hartree Fock; HAT; Hydrogen Atom Transfer;
Metal chelating ability and antioxidant properties of Curcumin-metal complexes - A DFT approach
Keywords: انتقال اتمی هیدروژن; DMSO; Dimethyl Sulfoxide; Cur; Curcumin; CurEN-M2+; Enol Curcumin N â M2+ (where N = 1, 2, and 3: M2+ = Mn2+, Fe2+ and Zn2+); BDE; Bond dissociation energy; IP; Ionization energy; HOMO; Highest Occupied Molecular Orbital; LUMO; Lowest Unoccupied M
Recent advancements in dehydrogenative cross coupling reactions for CC bond formation
Keywords: انتقال اتمی هیدروژن; acac; acetylacetonate; AIBN,; 2,2â²-azobis(2-methylpropionitrile); BPO,; benzoyl peroxide; bpy; 2,2â²-bipyridine; CDC; cross dehydrogenative coupling; CDDHC; cross double dehydrogenative coupling; DBU,; 1,8-diazabicycloundec-7-ene; DCE,; 1,2-dichloroeth
Silybin interacting with Cu4, Ag4 and Au4 clusters: Do these constitute antioxidant materials?
Keywords: انتقال اتمی هیدروژن; Free radicals scavengers; Metal-organic systems; Hydrogen atom transfer; Radical adduct formation;
An overview on Leucosidea sericea Eckl. & Zeyh.: A multi-purpose tree with potential as a phytomedicine
Keywords: انتقال اتمی هیدروژن; 2-AA; 2-aminoathracene; 4-NQO; 4-nitroquinoline-1-oxide; ABTS; 2, 2â²-azino-di-(3-ethylbenzthiazoline sulfonic acid); AChE; acetylcholinesterase; BHT; butylated hydroxytoluene; COX; cyclooxygenase; DCM; dichloromethane; DPPH; 1, 2-diphenyl-1- picrylhydra
Multidentate N-heterocyclic carbene complexes of the 3d metals: Synthesis, structure, reactivity and catalysis
Keywords: انتقال اتمی هیدروژن; δ; Chemical shift; 1D; One dimension; 2D; Two dimensions; Ac; Acetate; Acac; Acetylacetonate; Ad; Adamantyl; Ar; Aryl; BARF; Tetrakis(3,5-di-trifluoromethylphenyl)borate); Bipy; 2,2â²-bipyridine; Bu; Butyl; Bn; Benzyl; COD; Cyclooctadiene; COE; Cyclooct
A computational and experimental re-examination of the reaction of the benzyloxyl radical with DMSO
Keywords: انتقال اتمی هیدروژن; Density functional theory; Oxygen-centered radicals; Hydrogen atom transfer; Kinetic deuterium isotope effects; Radical reactions; Laser-flash photolysis;
Hydrogen atom transfer from tertiary alkanamides to the cumyloxyl radical. The role of substrate structure on alkali and alkaline earth metal ion induced C-H bond deactivation
Keywords: انتقال اتمی هیدروژن; Alkoxyl radical; Hydrogen atom transfer; C-H deactivation; Laser flash photolysis;
Antioxidant-guided isolation and mass spectrometric identification of the major polyphenols in barley (Hordeum vulgare) grain
Keywords: انتقال اتمی هیدروژن; FCR; Folin-Ciocalteu reagent; HCl; hydrochloric acid; EA; ethyl acetate; H2SO4; sulphuric acid; DPPH; 2,2-diphenyl-1-picrylhydrazyl; TPTZ; 2.4.6-tri(2-pyridyl)-s-triazine; Trolox; 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid; TPC; total phenolic
Cornus mas L. (cornelian cherry), an important European and Asian traditional food and medicine: Ethnomedicine, phytochemistry and pharmacology for its commercial utilization in drug industry
Keywords: انتقال اتمی هیدروژن; AAE; ascorbic acid equivalent; AAPH; 2,2â²-Azobis(2-amidinopropane) dihydrochloride; ABTS; 2,2-Azinobis-3-ethylbenzothiazoline-6-sulfonic acid; AD; Alzheimer's disease; AFLP; Amplified fragment length polymorphism; AIP; Atherogenic index parameter; ALP;
Synthesis and biological evaluation of new C-10 substituted dithranol pleiotropic hybrids
Keywords: انتقال اتمی هیدروژن; AAPH; 2,2-azobis(2-amidinopropane) dihydrochloride; Boc; tert-butyloxycarbonyl; DPPH; 1,1-diphenyl-2-picrylhydrazyl radical; ET; single electron transfer; FCC; Flash Column Chromatography; HAT; hydrogen atom transfer; LOX; lipoxygenase; MTT; 3-(4,5-dimeth
Simultaneous release of peptides and phenolics with antioxidant, ACE-inhibitory and anti-inflammatory activities from pinto bean (Phaseolus vulgaris L. var. pinto) proteins by subtilisins
Keywords: انتقال اتمی هیدروژن; Pinto bean; Proteolysis; Bioactive peptides; Phenolic compounds; Biological activity; AAE; Ascorbic acid equivalents; ABTS; 2,2â²-azinobis 3-ethylbenzothiazoline 6-sulphonate; ACE; Angiotensin I converting enzyme; CAE; Catechin equivalents; CV; cyclic vo
Hurdles and pitfalls in measuring antioxidant efficacy: A critical evaluation of ABTS, DPPH, and ORAC assays
Keywords: انتقال اتمی هیدروژن; SET; single electron transfer; HAT; hydrogen atom transfer; TEAC; Trolox equivalent antioxidant capacity; ABTSâ¢+; 2,2â²-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid); ORAC; Oxygen Radical Absorbance Capacity; AAPH; 2,2â²-azobis(2-amidinopropane) d
Agrorefinery of Tanacetum vulgare L. into valuable products and evaluation of their antioxidant properties and phytochemical composition
Keywords: انتقال اتمی هیدروژن; EO; Essential oil; WE; water extract; AO; acetone oleoresin; DAE; deodorized acetone extract; EDW; extract dry weight; pdw; plant dry weight; RSC; radical scavenging capacity; SET; single electron transfer; HAT; hydrogen atom transfer; TPC; total phenolic
Reactions of V4O10+ cluster ions with simple inorganic and organic molecules
Keywords: انتقال اتمی هیدروژن; Mass spectrometry; Density functional computations; Oxygen-centered radicals; Reaction mechanisms; Hydrogen atom transfer; Vanadium oxide;
The use of cyclic nitroxide radicals as HNO scavengers
Keywords: انتقال اتمی هیدروژن; Hydrogen atom transfer; Hydroxylamine; Hyponitrite radical; EPR; Acetohydroxamic acid; Radiolysis
Isolation, identification and radical scavenging activity of phlorotannin derivatives from brown algae, Ecklonia maxima: An experimental and theoretical study
Keywords: انتقال اتمی هیدروژن; Brown algae; Ecklonia maxima; Phlorotannins; Radical scavenging activity; Hydrogen atom transfer mechanism; AAPH; 2,2â²-Azobis (2-methylpropionamidine) dihydrochloride; ABTS; 2,2â²-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid; BDE; bond dissociatio
PM6 and DFT study of free radical scavenging activity of morin
Keywords: انتقال اتمی هیدروژن; HAT; hydrogen atom transfer; SET-PT; single electron transfer followed by proton transfer; SPLET; sequential proton loss electron transfer; BDE; bond dissociation enthalpy; IP; ionisation potential; PDE; proton dissociation enthalpy; PA; proton affinity;
Thymus lotocephalus wild plants and in vitro cultures produce different profiles of phenolic compounds with antioxidant activity
Keywords: انتقال اتمی هیدروژن; AAPH; 2,2'-azobis (2-methylpropionamidine) dihydrochloride; ABTS+; 2,2'-azinobis (3-ethylbenzothiazoline-6-sulphonic acid) radical cation; BHT; butylated hydroxytoluene; EDTA; ethylenediaminetetraacetic acid; F-C reagent; Folin-Ciocalteu reagent;
Supercritical fluid extraction and hydrodistillation for the recovery of bioactive compounds from Lavandula viridis L'Hér
Keywords: انتقال اتمی هیدروژن; AAPH; 2,2'-azobis(2-methylpropionamidine) dihydrochloride; ACh; acetylcholine; AChE; acetylcholinesterase; AD; Alzheimer's disease; ATCI; acetylthiocholine iodide; BChE; butyrylcholinesterase; BTCI; butyrylthiocholine chloride; ChE; cholinesterase; DT
Fortification of dietary biopolymers-based packaging material with bioactive plant extracts
Keywords: انتقال اتمی هیدروژن; ABTS; radical scavenging capacity; ARRE; anthocyanin-rich red raspberry extract; BBE; blueberry extract; BHT; butylated hydroxytoluene; CLE; clove extract; CMC; carboxymethylcellulose; CME; cinnamon extract; DPPH; (2, 2-diphenyl-1-picrylhydrazyl) free rad
Recent density functional theory model calculations of drug metabolism by cytochrome P450
Keywords: انتقال اتمی هیدروژن; Density functional theory; Compound I; Hydrogen atom transfer; Two-state reactivity;
Reaction of benzophenone triplet with aliphatic amines. What a potent neurotoxin can tell us about the reaction mechanism
Keywords: انتقال اتمی هیدروژن; MAO-B; Cyclopropyl amines; Single electron transfer; Hydrogen atom transfer; Laser flash photolysis;
Antioxidant activity, acetylcholinesterase inhibition, iridoid content and mutagenic evaluation of Leucosidea sericea
Keywords: انتقال اتمی هیدروژن; 2-AA; 2-aminoanthracene; 4NQO; 4-nitroquinoline-1-oxide; AA; antioxidant activity; AChE; acetylcholinesterase; AChEIs; acetylcholinesterase inhibitors; AD; Alzheimer's disease; ANOVA; analysis of variance; ANT; average antioxidant activity; ATCI; acetyl
Solvent effects on the antioxidant activity of 3,4-dihydroxyphenylpyruvic acid : DFT and TD-DFT studies
Keywords: انتقال اتمی هیدروژن; 3,4-Dihydroxyphenylpyruvic acid; Hydrogen atom transfer; Proton transfer; DFT; TD-DFT; PCM and hybrid solvation;
DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of single electron transfer-proton transfer and sequential proton loss electron transfer mechanisms of chroman derivatives antioxidant action
Keywords: انتقال اتمی هیدروژن; DFT; density functional theory; ZPE; zero point energy; IP; ionization potential; PDE; proton dissociation enthalpy; PA; proton affinity; ETE; electron transfer enthalpy; SET-PT; single electron transfer followed by proton transfer; SPLET; sequential pr
Structure, electronic properties, and radical scavenging mechanisms of daidzein, genistein, formononetin, and biochanin A: A density functional study
Keywords: انتقال اتمی هیدروژن; Isoflavonoid; Antioxidant; Density functional theory; Bond dissociation enthalpy; Hydrogen atom transfer;
Electrochemical proton relay at the single-molecule level
Keywords: انتقال اتمی هیدروژن; Proton transfer; Hydrogen atom transfer; Single-molecule processes; Concerted electron/proton transfer; Scanning tunneling microscopy
A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
Keywords: انتقال اتمی هیدروژن; Laser flash photolysis; Ortho-quinone; Triplet excited state; DFT; Hydrogen atom transfer
Single or double hydrogen atom transfer in the reaction of metal - Associated phenolic acids with â¢OH radical: DFT study
Keywords: انتقال اتمی هیدروژن; Antioxidants; 3,4-Dihydroxyphenylpyrivic acid; 3,4-Dihydroxycinnamic acid; 3,4-Hydroxybenzoic acid; Hydrogen atom transfer;
DFT study of the reaction of quercetin with ·O2- and ·OH radicals
Keywords: انتقال اتمی هیدروژن; Flavonoid; Quercetin; Free radicals oxygen species; Charge transfer; Hydrogen atom transfer; B3LYP; 6-31++G*;
Hydrogen atom transfer in the reaction of hydroxycinnamic acids with OH and HO2 radicals: DFT study
Keywords: انتقال اتمی هیدروژن; Antioxidants; 3,4-Dihydroxycinnamic acid; 4-Hydroxycinnamic acid; Hydrogen atom transfer; Radicals; NBO; DFT; B3LYP; 6-31+G**;
Theoretical study of structure and electronic properties of cyano-substituted pyrroles
Keywords: انتقال اتمی هیدروژن; Hydrogen atom transfer; Sequential proton loss electron transfer; BDE; PA; Electro-optical properties; Substituent effect; Solvent effect;
Initiating radical cyclizations by H transfer from transition metals
Keywords: انتقال اتمی هیدروژن; Radical cyclization; Hydrogen atom transfer; Transition-metal hydrides; Acrylates;
Tunnelling in low-temperature hydrogen-atom and proton transfers
Keywords: انتقال اتمی هیدروژن; Tunnelling; Proton transfer; Hydrogen atom transfer; Tautomerism
DFT/B3LYP study of O-H bond dissociation enthalpies of para and meta substituted phenols: Correlation with the phenolic C-O bond length
Keywords: انتقال اتمی هیدروژن; BDE; DFT; Phenol; Antioxidant; Bond length; Hydrogen atom transfer;