Radical scavenging activity of ascorbic acid analogs: kinetics and mechanisms

Radical Scavenging Activity of Ascorbic Acid Analogs Containing a Carbonyl Conjugated Ene-Diol Structure

(2016) Masataka Mochizuki et al.   HETEROCYCLES

Empirically Fitted Parameters for Calculating pKa Values with Small Deviations from Experiments Using a Simple Computational Strategy

(2016) Annia Galano et al.   Journal of Chemical Information and Modeling

Hydroxytyrosol ameliorates oxidative stress and mitochondrial dysfunction in doxorubicin-induced cardiotoxicity in rats with breast cancer

(2014) Sergio Granados-Principal et al.   BIOCHEMICAL PHARMACOLOGY

A density functional study on the pKaof small polyprotic molecules

(2014) Takeshi Baba et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Kinetics of radical-molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods

(2014) Annia Galano et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Femtosecond Stimulated Raman Spectroscopy of the Cyclobutane Thymine Dimer Repair Mechanism: A Computational Study

(2014) Hideo Ando et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Anticancer effect of salidroside on A549 lung cancer cells through inhibition of oxidative stress and phospho-p38 expression

(2014) JUN WANG et al.   Oncology Letters

An experimental and theoretical study of the kinetics and mechanism of hydroxyl radical reaction with 2-aminopyrimidine

(2014) Kavanal P. Prasanthkumar et al.   RSC Advances

Direct dynamics investigation of the reaction S(3P)+CH4→CH3+SH(2Π)

(2013) Tiago Vinicius Alves et al.   CHEMICAL PHYSICS LETTERS

Alzheimer´s Disease and Oxidative Stress: A Review

(2013) Miroslav Pohanka   CURRENT MEDICINAL CHEMISTRY

Oxidative stress in carcinogenesis: new synthetic compounds with dual effects upon free radicals and cancer.

(2013) Betul Tekiner-Gulbas et al.   CURRENT MEDICINAL CHEMISTRY

A Mechanistic and Kinetic Study on the Formation of PBDD/Fs from PBDEs

(2013) Mohammednoor Altarawneh et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

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

Dose-Dependent Interaction of trans-Resveratrol with Biomembranes: Effects on Antioxidant Property

(2013) Stalin Selvaraj et al.   JOURNAL OF MEDICINAL CHEMISTRY

Deprotonation Mechanism and Acidity Constants in Aqueous Solution of Flavonols: a Combined Experimental and Theoretical Study

(2013) Ruslán Álvarez-Diduk et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Oxidative stress in blood in Alzheimer's disease and mild cognitive impairment: A meta-analysis

(2013) M. Schrag et al.   NEUROBIOLOGY OF DISEASE

Synthesis and DPPH radical scavenging activity of novel compounds obtained from tyrosol and cinnamic acid derivatives

(2013) Maurizio Barontini et al.   NEW JOURNAL OF CHEMISTRY

Review on Natural Coumarin Lead Compounds for Their Pharmacological Activity

(2013) K. N. Venugopala et al.   Biomed Research International

Functions, applications and production of 2-O-d-glucopyranosyl-l-ascorbic acid

(2012) Ruizhi Han et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Chlorine atom substitution influences radical scavenging activity of 6-chromanol

(2012) Keiko Inami et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Mechanism of Ketone Allylation with Allylboronates as Catalyzed by Zinc Compounds: A DFT Study

(2012) Weiyi Li et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mitochondrial defects and oxidative stress in Alzheimer disease and Parkinson disease

(2012) Michael H. Yan et al.   FREE RADICAL BIOLOGY AND MEDICINE

Thermal decomposition of 4-hydroxy-2-butanone in m-xylene solution: Experimental and computational study

(2012) Juliana Murillo et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

A reliable and efficient first principles-based method for predicting pKavalues. 4. organic bases

(2012) Shuming Zhang   JOURNAL OF COMPUTATIONAL CHEMISTRY

A computational study of the thermolysis of β-hydroxy ketones in gas phase and inm-xylene solution

(2012) Diana Henao et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Oxidative Stress in Alzheimer's and Parkinson's Diseases: Insights from the YeastSaccharomyces cerevisiae

(2012) Catarina Pimentel et al.   Oxidative Medicine and Cellular Longevity

An accurate density functional theory based estimation of pKa values of polar residues combined with experimental data: from amino acids to minimal proteins

(2012) Toru Matsui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A reliable and efficient first principles-based method for predicting pKa values. III. Adding explicit water molecules: Can the theoretical slope be reproduced and pKa values predicted more accurately?

(2011) Shuming Zhang   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Simple scheme for estimating the pKa values of 5-substituted uracils

(2010) Toru Matsui et al.   CHEMICAL PHYSICS LETTERS

Role of Chain Transfer Agents in Free Radical Polymerization Kinetics

(2010) T. Furuncuoğlu et al.   MACROMOLECULES

A kinetic approach for evaluation of the antioxidant activity of selected phenolic acids

(2009) Petra Terpinc et al.   FOOD CHEMISTRY

A Reliable and Efficient First Principles-Based Method for Predicting pKaValues. 2. Organic Acids

(2009) Shuming Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A computational study of stereospecifity in the thermal elimination reaction of menthyl benzoate in the gas phase

(2009) Ederley Vélez et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

How Well Can New-Generation Density Functionals Describe the Energetics of Bond-Dissociation Reactions Producing Radicals?

(2008) Yan Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A