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Detailed Investigation of the OH Radical Quenching by Natural Antioxidant Caffeic Acid Studied by Quantum Mechanical Models

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Vasodilator effects of quercetin in isolated rat vascular smooth muscle
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Caffeic acid phenethyl ester as a lipoxygenase inhibitor with antioxidant properties
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The molecular basis of working mechanism of natural polyphenolic antioxidants
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Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
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Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
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Criterion of minimum state density in the transition state theory of bimolecular reactions
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A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
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Density-functional exchange-energy approximation with correct asymptotic behavior
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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On the Inhibition of Hydroxyl Radical Formation by Hydroxycinnamic Acids: The Case of Caffeic Acid as a Promising Chelating Ligand of a Ferrous Ion
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b04920openalex-snapshot
N -Acetylserotonin and 6-Hydroxymelatonin against Oxidative Stress: Implications for the Overall Protection Exerted by Melatonin
inferred← citeshttps://doi.org/10.1021/ef402508sopenalex-snapshot
Theoretical and Experimental Study on the Inhibition of Diethyl Ether Oxidation
inferred← citeshttps://doi.org/10.1021/jf403262kopenalex-snapshot
Density Functional Predictions of Antioxidant Activity and UV Spectral Features of Nasutin A, Isonasutin, Ellagic Acid, and One of Its Possible Derivatives
inferred← citeshttps://doi.org/10.1021/jf404735jopenalex-snapshot
Antioxidant Features of Red Wine Pyranoanthocyanins: Experimental and Theoretical Approaches
inferred← citeshttps://doi.org/10.1021/jf5011148openalex-snapshot
Mechanistic and Kinetic Study on the Reactions of Coumaric Acids with Reactive Oxygen Species: A DFT Approach
inferred← citeshttps://doi.org/10.1021/jp410263fopenalex-snapshot
Critical Role of Deep Hydrogen Tunneling to Accelerate the Antioxidant Reaction of Ubiquinol and Vitamin E
inferred← citeshttps://doi.org/10.1038/s41392-026-02905-zopenalex-snapshot
Hydrogen peroxide sensing and signaling in physiology and disease: implications for therapy
inferred← citeshttps://doi.org/10.1039/c2cp40651aopenalex-snapshot
On the peroxyl scavenging activity of hydroxycinnamic acid derivatives: mechanisms, kinetics, and importance of the acid–base equilibrium
inferred← citeshttps://doi.org/10.1039/c2cp40799jopenalex-snapshot
On the evolution of one-electron-oxidized deoxyguanosine in damaged DNA under physiological conditions: a DFT and ONIOM study on proton transfer and equilibrium
inferred← citeshttps://doi.org/10.1039/c3cp43319fopenalex-snapshot
A physicochemical examination of the free radical scavenging activity of Trolox: mechanism, kinetics and influence of the environment
inferred← citeshttps://doi.org/10.1039/c3cp51644jopenalex-snapshot
Antioxidant activity of propyl gallate in aqueous and lipid media: a theoretical study
inferred← citeshttps://doi.org/10.1039/c3cp53889copenalex-snapshot
Theoretical study on the peroxyl radicals scavenging activity of esculetin and its regeneration in aqueous solution
inferred← citeshttps://doi.org/10.1039/c3ra44604bopenalex-snapshot
Cyclic 3-hydroxymelatonin, a key metabolite enhancing the peroxyl radical scavenging activity of melatonin
inferred← citeshttps://doi.org/10.1039/c4ra04758copenalex-snapshot
Antioxidant activity of selected natural polyphenolic compounds from soybean via peroxyl radical scavenging
inferred← citeshttps://doi.org/10.1039/c4ra11635fopenalex-snapshot
Tryptophan: antioxidant or target of oxidative stress? A quantum chemistry elucidation
inferred← citeshttps://doi.org/10.1039/c4ra11733fopenalex-snapshot
Antioxidant properties of several coumarin–chalcone hybrids from theoretical insights
inferred← citeshttps://doi.org/10.1039/d1fo03389aopenalex-snapshot
Effects of antioxidants of bamboo leaves on protein digestion and transport of cooked abalone muscles
inferred← citeshttps://doi.org/10.1039/d2cp00083kopenalex-snapshot
Machine-learning-assisted molecular design of phenylnaphthylamine-type antioxidants
inferred← citeshttps://doi.org/10.1039/d2ob00634kopenalex-snapshot
Concise total syntheses of two flavans and structure revision assisted by quantum NMR calculations
inferred← citeshttps://doi.org/10.1039/d2ra02311copenalex-snapshot
The hydroperoxyl antiradical activity of natural hydroxycinnamic acid derivatives in physiological environments: the effects of pH values on rate constants
inferred← citeshttps://doi.org/10.1039/d3ra05967gopenalex-snapshot
Computational assessment of the primary and secondary antioxidant potential of alkylresorcinols in physiological media
inferred← citeshttps://doi.org/10.1039/d5fo00853kopenalex-snapshot
Chlorogenic acid and intestinal health: mechanistic insights and therapeutic applications
inferred← citeshttps://doi.org/10.1039/d5nj00725aopenalex-snapshot
Modeling the antioxidant behavior of F420 coenzyme: a computational study
inferred← citeshttps://doi.org/10.1055/s-0043-120662openalex-snapshot
Anti-degenerative effect of Apigenin, Luteolin and Quercetin on human keratinocyte and chondrocyte cultures: SAR evaluation
inferred← citeshttps://doi.org/10.1080/00268976.2024.2393435openalex-snapshot
DFT-based computational analysis of 2,4-dimethyl-6-tert-butylphenol (DTBP) as an antioxidant in aviation fuels
inferred← citeshttps://doi.org/10.1080/08927022.2023.2178236openalex-snapshot
A DFT study on the scavenging activity of curcumin toward methyl and ethyl radicals
inferred← citeshttps://doi.org/10.1080/10715762.2022.2085097openalex-snapshot
The radical scavenger capacity and mechanism of prenylated coumestan-type compounds: a DFT analysis
inferred← citeshttps://doi.org/10.1080/10715762.2022.2161379openalex-snapshot
Antioxidant activity of caffeic acid: thermodynamic and kinetic aspects on the oxidative degradation pathway
inferred← citeshttps://doi.org/10.1080/15421406.2017.1360713openalex-snapshot
Recent approaches and future trends for lignin-based materials
inferred← citeshttps://doi.org/10.1111/1541-4337.12792openalex-snapshot
A comprehensive review on polarity, partitioning, and interactions of phenolic antioxidants at oil–water interface of food emulsions
inferred← citeshttps://doi.org/10.1111/ijfs.14798openalex-snapshot
Gluten‐free cookies added with fibre and bioactive compounds from blackcurrant residue
inferred← citeshttps://doi.org/10.1111/jfbc.14254openalex-snapshot
A review of the protective effects of chlorogenic acid against different chemicals
inferred← citeshttps://doi.org/10.1142/s0219633616500528openalex-snapshot
Influence of the geometric isomers on the radical scavenging properties of 3,5-dicaffeoylquinic acid: A DFT studyin vacuoand in solution
inferred← citeshttps://doi.org/10.1142/s0219633619500238openalex-snapshot
A DFT mechanistic, thermodynamic and kinetic study on the reaction of 1, 3, 5-trihydroxybenzene and 2, 4, 6-trihydroxyacetophenone with •OOH in different media
inferred← citeshttps://doi.org/10.1146/annurev-food-041715-033206openalex-snapshot
Food Antioxidants: Chemical Insights at the Molecular Level
inferred← citeshttps://doi.org/10.1246/bcsj.20120265openalex-snapshot
Theoretical Study of the Substituent and Solvent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Tyrosol Derivatives
inferred← citeshttps://doi.org/10.1371/journal.pone.0162729openalex-snapshot
Kinetic Reaction Mechanism of Sinapic Acid Scavenging NO2 and OH Radicals: A Theoretical Study
inferred← citeshttps://doi.org/10.17159/0379-4350/2023/v77a13openalex-snapshot
Computational study on the antioxidant activity of five plant food benzoic acid derivatives: dearomatization and stability of H abstraction radicals
inferred← citeshttps://doi.org/10.20944/preprints202201.0095.v1openalex-snapshot
Free Radical Scavenging Activity of Five Benzoic Acid Derivatives: A Theoretical M06-2X Study
inferred← citeshttps://doi.org/10.20944/preprints202201.0095.v2openalex-snapshot
Theoretical DFT Study of the Antioxidant Activity of Five Plant Food Benzoic Acid Derivatives: Dearomatization and Stability of H Abstraction Radicals
inferred← citeshttps://doi.org/10.2174/1570159x14666160325120625openalex-snapshot
Chlorogenic Acid and Mental Diseases: From Chemistry to Medicine
inferred← citeshttps://doi.org/10.3390/antiox12091669openalex-snapshot
Exploring the Antioxidant Properties of Caffeoylquinic and Feruloylquinic Acids: A Computational Study on Hydroperoxyl Radical Scavenging and Xanthine Oxidase Inhibition
inferred← citeshttps://doi.org/10.3390/antiox14030333openalex-snapshot
Inclusion of Pineapple By-Products as Natural Antioxidant Sources in Diets for European Sea Bass (Dicentrarchus labrax)
inferred← citeshttps://doi.org/10.3390/antiox3020309openalex-snapshot
A Quantum Chemical and Statistical Study of Phenolic Schiff Bases with Antioxidant Activity against DPPH Free Radical
inferred← citeshttps://doi.org/10.3390/cimb46070405openalex-snapshot
A Comprehensive View on the Impact of Chlorogenic Acids on Colorectal Cancer
inferred← citeshttps://doi.org/10.3390/cosmetics5030051openalex-snapshot
Caffeic Acid-layered Double Hydroxide Hybrid: A New Raw Material for Cosmetic Applications
inferred← citeshttps://doi.org/10.3390/cosmetics7030071openalex-snapshot
Natural Flavones and Flavonols: Relationships among Antioxidant Activity, Glycation, and Metalloproteinase Inhibition
inferred← citeshttps://doi.org/10.3390/ijms242316731openalex-snapshot
Antioxidant, Anti-Inflammatory and Pro-Differentiative Effects of Chlorogenic Acid on M03-13 Human Oligodendrocyte-like Cells
inferred← citeshttps://doi.org/10.3390/ijms25115884openalex-snapshot
Exploring Phenolic Compounds in Crop By-Products for Cosmetic Efficacy
inferred← citeshttps://doi.org/10.3390/ijms252312753openalex-snapshot
Theoretical Insight into Antioxidant Mechanism of Caffeic Acid Against Hydroperoxyl Radicals in Aqueous Medium at Different pH-Thermodynamic and Kinetic Aspects
inferred← citeshttps://doi.org/10.3390/molecules181012663openalex-snapshot
Understanding the Molecular Aspects of Tetrahydrocannabinol and Cannabidiol as Antioxidants
inferred← citeshttps://doi.org/10.3390/molecules23102446openalex-snapshot
Antioxidant Properties of the Vam3 Derivative of Resveratrol
inferred← citeshttps://doi.org/10.3390/molecules25215142openalex-snapshot
Comparison of Maceration and Ultrasonication for Green Extraction of Phenolic Acids from Echinacea purpurea Aerial Parts
inferred← citeshttps://doi.org/10.3390/molecules26061610openalex-snapshot
Optimization of Two Eco-Friendly Extractions of Black Medick (Medicago lupulina L.) Phenols and Their Antioxidant, Cosmeceutical, α-Glucosidase and α-Amylase Inhibitory Properties
inferred← citeshttps://doi.org/10.3390/molecules26165058openalex-snapshot
A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake
inferred← citeshttps://doi.org/10.3390/molecules29246037openalex-snapshot
α-Tocopherol and Trolox as Effective Natural Additives for Polyurethane Foams: A DFT and Experimental Study
inferred← citeshttps://doi.org/10.3390/plants10081724openalex-snapshot
Biophenolic Profile Modulations in Olive Tissues as Affected by Manganese Nutrition
inferred← citeshttps://doi.org/10.34172/jhp.2020.27openalex-snapshot
Biological and chemical nitrogen fertilizer impact on cumin (Cuminum cyminum L) under different irrigation regimens
inferred← citeshttps://doi.org/10.4172/2167-7182.1000233openalex-snapshot
The Effects of Coffee Consumption on Cognition and Dementia Diseases
inferred← citeshttps://doi.org/10.5937/kgjsci1739109ropenalex-snapshot
Antioxidative activity of caffeic acid: Mechanistic DFT study
inferred← citeshttps://doi.org/10.70675/1125fe31z1ec3z49c6zbbc7zaa4f9719f0f0openalex-snapshot
Non-covalent interactions in natural products
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.