Theoretical investigation on the structure and antioxidant activity of (+) catechin and (−) epicatechin – a comparative study

Antioxidant properties of Aloe vera components: a DFT theoretical evaluation

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Phenolic compounds profile and antioxidant properties of six sweet cherry ( Prunus avium ) cultivars

(2017) Serena Martini et al.   FOOD RESEARCH INTERNATIONAL

Influence of Chemical Structure of Some Flavonols on Their Electrochemical Behaviour

(2017) Marijan Šeruga et al.   International Journal of Electrochemical Science

Antioxidant and Antiradical Properties of Green Tea Extract Compounds

(2017) Anna Masek et al.   International Journal of Electrochemical Science

Thermodynamic and kinetic analysis of the reaction between biological catecholamines and chlorinated methylperoxy radicals

(2017) Dušan S. Dimić et al.   MOLECULAR PHYSICS

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

(2017) Narbe Mardirossian et al.   MOLECULAR PHYSICS

A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions

(2017) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Influence of intrinsic and extrinsic factors on the antiradical activity of Gallic acid: a theoretical study

(2017) Bharti Badhani et al.   STRUCTURAL CHEMISTRY

Donor-acceptor interactions as descriptors of the free radical scavenging ability of flavans and catechin

(2017) Erika N. Bentz et al.   Computational and Theoretical Chemistry

Synthesis, antioxidant activity, and density functional theory study of catechin derivatives

(2017) Jing Wang et al.   RSC Advances

Comparative study of the antioxidative activities of caffeoylquinic and caffeic acids

(2016) Svetlana Marković et al.   FOOD CHEMISTRY

Exhaustive Qualitative LC-DAD-MSn Analysis of Arabica Green Coffee Beans: Cinnamoyl-glycosides and Cinnamoylshikimic Acids as New Polyphenols in Green Coffee

(2016) Gema Baeza et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Theoretical study on the investigation of antioxidant properties of some hydroxyanthraquinones

(2016) Dilara Özbakır Işın   MOLECULAR PHYSICS

Food Antioxidants: Chemical Insights at the Molecular Level

(2016) Annia Galano et al.   Annual Review of Food Science and Technology

Thermodynamic study of vitamin B6 antioxidant potential

(2016) Peter Škorňa et al.   Computational and Theoretical Chemistry

Computational Studies of Free Radical-Scavenging Properties of Phenolic Compounds

(2015) Petko Alov et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Catechins: Sources, extraction and encapsulation: A review

(2015) Pravin Vasantrao Gadkari et al.   FOOD AND BIOPRODUCTS PROCESSING

Theoretical study on the structural and antioxidant properties of some recently synthesised 2,4,5-trimethoxy chalcones

(2015) Guirong Wang et al.   FOOD CHEMISTRY

Antioxidants: Characterization, natural sources, extraction and analysis

(2015) Mircea Oroian et al.   FOOD RESEARCH INTERNATIONAL

Theoretical Investigation for Exploring the Antioxidant Potential of Chlorogenic Acid: A Density Functional Theory Study

(2015) Muhammad Saqib et al.   INTERNATIONAL JOURNAL OF FOOD PROPERTIES

Cytoprotective Effects of Grape Seed Extract on Human Gingival Fibroblasts in Relation to Its Antioxidant Potential

(2015) Yusuke Katsuda et al.   PLoS One

Structure-Thermodynamics-Antioxidant Activity Relationships of Selected Natural Phenolic Acids and Derivatives: An Experimental and Theoretical Evaluation

(2015) Yuzhen Chen et al.   PLoS One

Computational study of the structure–free radical scavenging relationship of procyanidins

(2014) Ana María Mendoza–Wilson et al.   FOOD CHEMISTRY

Kinetic solvent effects on the reaction between flavonoid naringenin and 2,2-diphenyl-1-picrylhydrazyl radical in different aqueous solutions of ethanol: An experimental and theoretical study

(2014) Morteza Jabbari et al.   JOURNAL OF MOLECULAR LIQUIDS

Structure and electronic properties of (+)-catechin: aqueous solvent effects

(2014) Erika N. Bentz et al.   JOURNAL OF MOLECULAR MODELING

Exploratory conformational study of (+)-catechin. Modeling of the polarizability and electric dipole moment

(2014) Erika N. Bentz et al.   JOURNAL OF MOLECULAR MODELING

Antioxidant potential of orientin: A combined experimental and DFT approach

(2014) R. Praveena et al.   JOURNAL OF MOLECULAR STRUCTURE

Reaction enthalpies of OH bonds splitting-off in flavonoids: The role of non-polar and polar solvent

(2014) Adam Vagánek et al.   Computational and Theoretical Chemistry

Density functional theory study of the structure–antioxidant activity of polyphenolic deoxybenzoins

(2013) Yunsheng Xue et al.   FOOD CHEMISTRY

Phenolic compounds, antioxidant activity and insulinotropic effect of extracts prepared from grape (Vitis vinifera L) byproducts

(2013) Pooja Doshi et al.   JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE

Theoretical study on the antioxidant properties of 2′-hydroxychalcones: H-atom vs. electron transfer mechanism

(2013) Yunsheng Xue et al.   JOURNAL OF MOLECULAR MODELING

Examination of the chemical behavior of the quercetin radical cation towards some bases

(2013) Zoran Marković et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical investigation of stereochemistry and solvent influence on antioxidant activity of ferulic acid

(2013) Alicja Urbaniak et al.   Computational and Theoretical Chemistry

Characterization of flavan-3-ols in seeds of grape pomace by CE, HPLC-DAD-MSn and LC-ESI-FTICR-MS

(2012) Ismael Ivan Rockenbach et al.   FOOD RESEARCH INTERNATIONAL

Study of antioxidant properties of flavonoids by voltammetry

(2012) Elena I. Korotkova et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

A theoretical study on cellular antioxidant activity of selected flavonoids

(2012) Yuzhi Rong et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Experimental and DFT studies on the antioxidant activity of a C-glycoside from Rhynchosia capitata

(2012) R. Praveena et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

On the energetics of homolytic and heterolytic OH bond cleavage in flavonoids

(2012) Adam Vagánek et al.   Computational and Theoretical Chemistry

Antioxidant properties of natural polyphenols and their therapeutic potentials for Alzheimer's disease

(2011) Dong-Young Choi et al.   BRAIN RESEARCH BULLETIN

Phenolic compounds and antioxidant activity of seed and skin extracts of red grape (Vitis vinifera and Vitis labrusca) pomace from Brazilian winemaking

(2011) Ismael Ivan Rockenbach et al.   FOOD RESEARCH INTERNATIONAL

Green tea catechins during food processing and storage: A review on stability and detection

(2011) Victoria K. Ananingsih et al.   FOOD RESEARCH INTERNATIONAL

Analysis of the Antioxidant Capacities of Flavonoids under Different Spectrophotometric Assays Using Cyclic Voltammetry and Density Functional Theory

(2011) Di Zhang et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

A comparative DFT study on the antioxidant activity of apigenin and scutellarein flavonoid compounds

(2011) K. Sadasivam et al.   MOLECULAR PHYSICS

The molecular basis of working mechanism of natural polyphenolic antioxidants

(2010) Monica Leopoldini et al.   FOOD CHEMISTRY

Polyphenolic Composition and Antioxidant Activities of Grape Seed Extract

(2010) Anamarija I. Mandic et al.   INTERNATIONAL JOURNAL OF FOOD PROPERTIES

Study of the solvent effect on the enthalpies of homolytic and heterolytic N–H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine

(2010) Ján Rimarčík et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Catechin, epicatechin, quercetin, rutin and resveratrol in red grape: Content, in vitro antioxidant activity and interactions

(2008) P. Iacopini et al.   JOURNAL OF FOOD COMPOSITION AND ANALYSIS

Electronic description of four flavonoids revisited by DFT method

(2008) Serge Antonczak   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Flavan-3-ols: Nature, occurrence and biological activity

(2007) Patricia M. Aron et al.   MOLECULAR NUTRITION & FOOD RESEARCH