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DFT Study of Quercetin Activated Forms Involved in Antiradical, Antioxidant, and Prooxidant Biological Processes
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Structural study of quercetin by vibrational and electronic spectroscopies combined with semiempirical calculations
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Substituent Effects on OH Bond Dissociation Enthalpies and Ionization Potentials of Catechols: A DFT Study and Its Implications in the Rational Design of Phenolic Antioxidants and Elucidation of Structure–Activity Relationships for Flavonoid Antioxidants
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Oxygenolysis of Flavonoid Compounds: DFT Description of the Mechanism for Quercetin
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Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F
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Quantum molecular modeling of quercetin—Simulation of the interaction with the free radical t‐BuOO⋅*
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Hydroxyl Free Radical-Mediated Oxidative Degradation of Quercetin and Morin: A Preliminary Investigation
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The influence of polarization functions on molecular orbital hydrogenation energies
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Density functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent
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The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets
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Review of the biology of quercetin and related bioflavonoids
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Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
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A DFT study of the reactivity of OH groups in quercetin and taxifolin antioxidants: The specificity of the 3-OH site
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Flavonoids: Old and new aspects of a class of natural therapeutic drugs
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Mechanism of oxidative DNA damage induced by quercetin in the presence of Cu(II)
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The biochemistry and medical significance of the flavonoids
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Flavonoids: Dietary occurrence and biochemical activity
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Iron complexes of quercetin in aprotic medium. Redox chemistry and interaction with superoxide anion radical
inferredcites →https://doi.org/10.1016/s0887-2333(03)00047-xopenalex-snapshot
The role of quinone reductase (NQO1) and quinone chemistry in quercetin cytotoxicity
inferredcites →https://doi.org/10.1016/s0891-5849(02)01241-8openalex-snapshot
Dietary flavonoid iron complexes as cytoprotective superoxide radical scavengers
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Antioxidant and Prooxidant Behavior of Flavonoids: Structure-Activity Relationships
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Quercetin may act as a cytotoxic prooxidant after its metabolic activation to semiquinone and quinoidal product
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Dietary flavonols: chemistry, food content, and metabolism
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Crystal Structure of the Copper-Containing Quercetin 2,3-Dioxygenase from Aspergillus japonicus
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Ab initio molecular orbital theory
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Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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Predicting the Activity of Phenolic Antioxidants: Theoretical Method, Analysis of Substituent Effects, and Application to Major Families of Antioxidants
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Kinetic and Stoichiometric Assessment of the Antioxidant Activity of Flavonoids by Electron Spin Resonance Spectroscopy
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Gas and Liquid Phase Acidity of Natural Antioxidants
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Characterization of Flavonol Conjugates in Immature Leaves of Pak Choi [Brassica rapa L. Ssp. chinensis L. (Hanelt.)] by HPLC-DAD and LC-MS/MS
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Polyphenols in Wild and Weedy Mexican Common Beans (Phaseolus vulgarisL.)
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Content of Phenolic Compounds and Free Polyamines in Black Chokeberry ( Aronia melanocarpa ) after Application of Polyamine Biosynthesis Regulators
inferredcites →https://doi.org/10.1021/jf990469hopenalex-snapshot
Semiempirical Molecular Modeling into Quercetin Reactive Site: Structural, Conformational, and Electronic Features
inferredcites →https://doi.org/10.1021/tx010121sopenalex-snapshot
Catechol and Hydroquinone Have Different Redox Properties Responsible for Their Differential DNA-damaging Ability
inferredcites →https://doi.org/10.1021/tx020079gopenalex-snapshot
Quenching of Quercetin Quinone/Quinone Methides by Different Thiolate Scavengers: Stability and Reversibility of Conjugate Formation
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A Quantum Chemical Explanation of the Antioxidant Activity of Flavonoids
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Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
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Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1073/pnas.262506299openalex-snapshot
Anaerobic enzyme⋅substrate structures provide insight into the reaction mechanism of the copper-dependent quercetin 2,3-dioxygenase
inferredcites →https://doi.org/10.1093/ajcn/79.5.727openalex-snapshot
Polyphenols: food sources and bioavailability
inferredcites →https://doi.org/10.1093/carcin/22.8.1239openalex-snapshot
Site specificity and mechanism of oxidative DNA damage induced by carcinogenic catechol
inferredcites →https://doi.org/10.1093/jn/130.8.2073sopenalex-snapshot
Dietary Intake and Bioavailability of Polyphenols
inferredcites →https://doi.org/10.1103/physrev.46.618openalex-snapshot
Note on an Approximation Treatment for Many-Electron Systems
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1107/s0108270189006682openalex-snapshot
Structure of quercetin dihydrate
inferredcites →https://doi.org/10.1107/s0108270189006785openalex-snapshot
Structure of the neuroleptic drug 4-amino-N-1-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide (amisulpride)
inferredcites →https://doi.org/10.1179/135100004225003897openalex-snapshot
Antioxidant properties of complexes of flavonoids with metal ions
inferredcites →https://doi.org/10.1271/bbb.63.1787openalex-snapshot
Inhibition of Xanthine Oxidase by Flavonoids
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Role of Flavonoids in Oxidative Stress
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Structure-Thermodynamics-Antioxidant Activity Relationships of Selected Natural Phenolic Acids and Derivatives: An Experimental and Theoretical Evaluation
inferred← citeshttps://doi.org/10.20431/2349-0403.0301002openalex-snapshot
Structural Properties of 4-Substituted Phenols Capable of Proton-Coupled Electron Transfer to Superoxide
inferred← citeshttps://doi.org/10.2298/jsc190226034mopenalex-snapshot
Hydrogen transfer reaction: Bond formation and bond cleavage through the eyes of interacting quantum atoms
inferred← citeshttps://doi.org/10.2478/s11696-013-0309-9openalex-snapshot
Spectral analysis of naringenin deprotonation in aqueous ethanol solutions
inferred← citeshttps://doi.org/10.3109/14756366.2015.1018244openalex-snapshot
Antioxidant, antiradical, and anticholinergic properties of cynarin purified from the Illyrian thistle (Onopordum illyricum L.)
inferred← citeshttps://doi.org/10.3109/14756366.2015.1057723openalex-snapshot
Antioxidant activity of taxifolin: an activity–structure relationship
inferred← citeshttps://doi.org/10.3389/fvets.2021.784898openalex-snapshot
Antioxidant Activity and the Potential Mechanism of the Fruit From Ailanthus altissima Swingle
inferred← citeshttps://doi.org/10.3390/biomimetics2030009openalex-snapshot
The Antioxidant Activity of Quercetin in Water Solution
inferred← citeshttps://doi.org/10.3390/chemistry4040076openalex-snapshot
Conformational Preference of Flavonols and Its Effect on the Chemical Properties Involved in Radical Scavenging Activity
inferred← citeshttps://doi.org/10.3390/foods11162439openalex-snapshot
The Antioxidant and Anti-Inflammatory Effects of Flavonoids from Propolis via Nrf2 and NF-κB Pathways
inferred← citeshttps://doi.org/10.3390/molecules24173037openalex-snapshot
Preparation of Electrospun Active Molecular Membrane and Atmospheric Free Radicals Capture
inferred← citeshttps://doi.org/10.3390/molecules25184251openalex-snapshot
Study of Antioxidant Properties of Agents from the Perspective of Their Action Mechanisms
inferred← citeshttps://doi.org/10.3390/molecules29071680openalex-snapshot
An Update in Computational Methods for Environmental Monitoring: Theoretical Evaluation of the Molecular and Electronic Structures of Natural Pigment–Metal Complexes
inferred← citeshttps://doi.org/10.3390/pr10010132openalex-snapshot
Metal Ions, Metal Chelators and Metal Chelating Assay as Antioxidant Method
inferred← citeshttps://doi.org/10.4018/978-1-60960-064-8.ch012openalex-snapshot
Theoretical Study on the Antioxidant Activity of Alizarin, Purpurin, and Pseudopurpurin
inferred← citeshttps://doi.org/10.5562/cca3024openalex-snapshot
Carboxyl Group as a Radical Scavenging Moiety: Thermodynamics of 2H+/2e– Processes of Phloretic Acid
inferred← citeshttps://doi.org/10.5713/ajas.17.0617openalex-snapshot
L-lysine and L-arginine inhibit the oxidation of lipids and proteins of emulsion sausage by chelating iron ion and scavenging radical
inferred← citeshttps://doi.org/10.5772/17976openalex-snapshot
Inhibition of Soybean Lipoxygenases – Structural and Activity Models for the Lipoxygenase Isoenzymes Family
inferred← citeshttps://doi.org/10.70675/a54ff1d5z4d4ez43b7zae6bz0c45c998115copenalex-snapshot
Contributions to the chemistry of heteroleptic coordination compounds based on 3d metal ions with special properties for applications in medicine
inferred← citeshttps://doi.org/10.7324/japs.2016.601102openalex-snapshot
UHPLC-ESI-MS/MS analyses for quantification of phenolic compounds of Nepeta nuda subsp. Lydiae
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