The Contribution of Theoretical Prediction Studies to the Antioxidant Activity Assessment of the Bioactive Secoiridoids Encountered in Olive Tree Products and By-Products

On the Role of the Carboxyl Group to the Protective Effect of o-dihydroxybenzoic Acids to Saccharomyces cerevisiae Cells upon Induced Oxidative Stress

(2022) Nikolaos Nenadis et al.   Antioxidants

Recovery of Polyphenols from Agri-Food By-Products: The Olive Oil and Winery Industries Cases

(2022) Paulina Tapia-Quirós et al.   Foods

Current Trends in Computational Quantum Chemistry Studies on Antioxidant Radical Scavenging Activity

(2022) Maciej Spiegel   Journal of Chemical Information and Modeling

Oxidized Forms of Olive Oil Secoiridoids: Semisynthesis, Identification and Correlation with Quality Parameters.

(2022) Lemonia Antoniadi et al.   PLANTA MEDICA

State of knowledge on chemical, biological and nutritional properties of olive mill wastewater

(2022) Mohamed Reda Zahi et al.   FOOD CHEMISTRY

Recent advances in the antioxidant activity and mechanisms of chalcone derivatives: a computational review

(2022) Ankit Mittal et al.   FREE RADICAL RESEARCH

DFT Study of the Direct Radical Scavenging Potency of Two Natural Catecholic Compounds

(2022) Ana Amić et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Suggestions on the Contribution of Methyl Eugenol and Eugenol to Bay Laurel (Laurus nobilis L.) Essential Oil Preservative Activity through Radical Scavenging

(2021) Nikolaos Nenadis et al.   MOLECULES

Dielectric continuum methods for quantum chemistry

(2021) John M. Herbert   Wiley Interdisciplinary Reviews-Computational Molecular Science

Density functional theory studies of the antioxidants—a review

(2021) Samira Mahmoudi et al.   JOURNAL OF MOLECULAR MODELING

A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake

(2021) Maciej Spiegel et al.   MOLECULES

Bioactive Compounds in Waste By-Products from Olive Oil Production: Applications and Structural Characterization by Mass Spectrometry Techniques

(2021) Ramona Abbattista et al.   Foods

New Mechanisms of Action of Natural Antioxidants in Health and Disease

(2020) Silvana Hrelia et al.   Antioxidants

Concept, mechanism, and applications of phenolic antioxidants in foods

(2020) Alam Zeb   JOURNAL OF FOOD BIOCHEMISTRY

Determination of theoretical calculations by DFT method and investigation of antioxidant, antimicrobial properties of olive leaf extracts from different regions

(2020) Gülay Baysal et al.   JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE

DFT study of the antiradical properties of some aromatic compounds derived from antioxidant essential oils: C–H bond vs. O–H bond

(2019) Houssem Boulebd   FREE RADICAL RESEARCH

Structure–antioxidant activity relationship of β-cyclodextrin inclusion complexes with olive tyrosol, hydroxytyrosol and oleuropein: Deep insights from X-ray analysis, DFT calculation and DPPH assay

(2018) Thammarat Aree et al.   CARBOHYDRATE POLYMERS

Why Tyrosol Derivatives Have to Be Quantified in the Calculation of “Olive Oil Polyphenols” Content to Support the Health Claim Provisioned in the EC Reg. 432/2012

(2018) Maria Z. Tsimidou et al.   EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY

Computational strategies for predicting free radical scavengers' protection against oxidative stress: Where are we and what might follow?

(2018) Annia Galano et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Energetic and Structural Properties of Two Phenolic Antioxidants: Tyrosol and Hydroxytyrosol

(2018) Juan Z. Dávalos et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Critical Review on the Significance of Olive Phytochemicals in Plant Physiology and Human Health

(2017) Irene Gouvinhas et al.   MOLECULES

Review: In vivo and postmortem effects of feed antioxidants in livestock: a review of the implications on authorization of antioxidant feed additives

(2016) S. A. Salami et al.   Animal

Simulation of oleuropein structural conformation in vacuum, water and triolein–water systems using molecular dynamics

(2016) Safa Souilem et al.   FOOD RESEARCH INTERNATIONAL

In silico studies reveal the mechanisms behind the antioxidant and anti-inflammatory activities of hydroxytyrosol

(2016) Charis Semidalas et al.   MEDICINAL CHEMISTRY RESEARCH

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

In vivo antioxidant activity of phenolic compounds: Facts and gaps

(2016) Natália Martins et al.   TRENDS IN FOOD SCIENCE & TECHNOLOGY

Food Antioxidants: Chemical Insights at the Molecular Level

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

Oleuropein aglycone in lipid bilayer membranes. A molecular dynamics study

(2015) Vicente Galiano et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Computational Studies of Free Radical-Scavenging Properties of Phenolic Compounds

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

New approaches to virgin olive oil quality, technology, and by-products valorization

(2015) Maurizio Servili et al.   EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY

Synthesis and antioxidant evaluation of isochroman-derivatives of hydroxytyrosol: Structure–activity relationship

(2015) Raquel Mateos et al.   FOOD CHEMISTRY

Radical scavenging activity characterization of synthetic isochroman-derivatives of hydroxytyrosol: A gas-phase DFT approach

(2015) Nikolaos Nenadis et al.   FOOD RESEARCH INTERNATIONAL

Phenolic compounds in olive leaves: Analytical determination, biotic and abiotic influence, and health benefits

(2015) Nassima Talhaoui et al.   FOOD RESEARCH INTERNATIONAL

Quantum Chemical Study on the Antioxidation Mechanism of Piceatannol and Isorhapontigenin toward Hydroxyl and Hydroperoxyl Radicals

(2015) Yang Lu et al.   PLoS One

The role of structural CH compared with phenolic OH sites on the antioxidant activity of oleuropein and its derivatives as a great non-flavonoid family of the olive components: A DFT study

(2014) Keyumars Hassanzadeh et al.   FOOD CHEMISTRY

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Why is the dual descriptor a more accurate local reactivity descriptor than Fukui functions?

(2014) Jorge Ignacio Martínez-Araya   JOURNAL OF MATHEMATICAL CHEMISTRY

What Makes Good Antioxidants in Lipid-Based Systems? The Next Theories Beyond the Polar Paradox

(2013) Mickaël Laguerre et al.   CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION

A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity

(2013) Annia Galano et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Valuable Nutrients and Functional Bioactives in Different Parts of Olive (Olea europaea L.)—A Review

(2012) Rahele Ghanbari et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A quantum chemical study on the free radical scavenging activity of tyrosol and hydroxytyrosol

(2012) Annia Galano et al.   THEORETICAL CHEMISTRY ACCOUNTS

Natural Antioxidants: Sources, Compounds, Mechanisms of Action, and Potential Applications

(2011) M.S. Brewer   COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY

A comparison of antioxidant activities of oleuropein and its dialdehydic derivative from olive oil, oleacein

(2011) Monika Czerwińska et al.   FOOD CHEMISTRY

New possibilities for the valorization of olive oil by-products

(2011) Miguel Herrero et al.   JOURNAL OF CHROMATOGRAPHY A

Mechanism and kinetics studies on the antioxidant activity of sinapinic acid

(2011) Annia Galano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The molecular basis of working mechanism of natural polyphenolic antioxidants

(2010) Monica Leopoldini et al.   FOOD CHEMISTRY

Plant Phenolics: Extraction, Analysis and Their Antioxidant and Anticancer Properties

(2010) Jin Dai et al.   MOLECULES

An investigation on dihydroxy-isochromans in extra virgin olive oil

(2008) Marcella Guiso et al.   NATURAL PRODUCT RESEARCH

Olive stone an attractive source of bioactive and valuable compounds

(2007) Guillermo Rodríguez et al.   BIORESOURCE TECHNOLOGY