SISTEMA INTEGRAL DE INFORMACIÓN ACADÉMICA - PÚBLICO

Galano, Annia
(Autor externo)

Obras con ISBN:0
Documentos en revistas:57
Colaboraciones en Tesis:0
Patentes:0
Obras con ISBN:No hay obras de este autor.
Documentos en revistas:
1.- The role of acid-base equilibria in formal hydrogen transfer reactions: tryptophan radical repair by uric acid as a paradigmatic case (2017)
 
2.- Dual antioxidant/pro-oxidant behavior of the tryptophan metabolite 3-hydroxyanthranilic acid: a theoretical investigation of reaction mechanisms and kinetics (2017)
 
3.- Non-covalent pi-pi stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions (2017)
 
4.- Empirically Fitted Parameters for Calculating pKa Values with Small Deviations from Experiments Using a Simple Computational Strategy (2016)
 
5.- Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants (2016)
 
6.- Determination of Acidity Constants, Partition Coefficients between Water and 1-Octanol, and Deprotonation Route of 4-tert-buthyl-bis-(2,6-thiomorpholin-4-ylmethyl)-1-phenol and 4-hydroxy-3,5-bis(morpholin-1-ylmethyl)benzonitrile; Compounds with Antihypertensive Properties (2016)
 
7.- Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms (2016)
 
8.- Deprotonation routes of anthocyanidins in aqueous solution, p: K a values, and speciation under physiological conditions (2016)
 
9.- Food Antioxidants: Chemical Insights at the Molecular Level (2016)
 
10.- Assessing the Protective Activity of a Recently Discovered Phenolic Compound against Oxidative Stress Using Computational Chemistry (2015)
 
11.- Free-radical scavenging by tryptophan and its metabolites through electron transfer based processes (2015)
 
12.- Kinetics of radical-molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods (2014)
 
13.- New free radicals to measure antiradical capacity: A theoretical study (2014)
 
14.- Vertical ionization energies of free radicals and electron detachment energies of their anions: A comparison of direct and indirect methods versus experiment (2014)
 
15.- On the chemical behavior of C60 hosting H2O and other isoelectronic neutral molecules (2014)
 
16.- Dihydroxybenzoic acids as free radical scavengers: Mechanisms, kinetics, and trends in activity (2014)
 
17.- Theoretical study on the peroxyl radicals scavenging activity of esculetin and its regeneration in aqueous solution (2014)
 
18.- A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity (2013)
 
19.- Cis carotenoids: Colorful molecules and free radical quenchers (2013)
 
20.- Piceatannol, a better peroxyl radical scavenger than resveratrol (2013)
 
21.- Unambiguous assignment of C-13 NMR signals in epimeric 4,5-epoxy-3-oxo-steroids assisted by X-ray diffraction and gauge invariant atomic orbitals calculation of absolute isotropic shieldings (2013)
 
22.- On the Chemical Repair of DNA Radicals by Glutathione: Hydrogen vs Electron Transfer (2012)
 
23.- Influence of the Environment on the Protective Effects of Guaiacol Derivatives against Oxidative Stress: Mechanisms, Kinetics, and Relative Antioxidant Activity (2012)
 
24.- Xanthones as antioxidants: A theoretical study on the thermodynamics and kinetics of the single electron transfer mechanism (2012)
 
25.- A quantum chemical study on the free radical scavenging activity of tyrosol and hydroxytyrosol (2012)
 
26.- Capsaicin, a Tasty Free Radical Scavenger: Mechanism of Action and Kinetics (2012)
 
27.- On the evolution of one-electron-oxidized deoxyguanosine in damaged DNA under physiological conditions: a DFT and ONIOM study on proton transfer and equilibrium (2012)
 
28.- On the peroxyl scavenging activity of hydroxycinnamic acid derivatives: mechanisms, kinetics, and importance of the acid-base equilibrium (2012)
 
29.- Role of Allyl Group in the Hydroxyl and Peroxyl Radical Scavenging Activity of S-Allylcysteine (2011)
 
30.- Physicochemical Insights on the Free Radical Scavenging Activity of Sesamol: Importance of the Acid/Base Equilibrium (2011)
 
31.- Free Radical Scavenger Properties of alpha-Mangostin: Thermodynamics and Kinetics of HAT and RAF Mechanisms (2011)
 
32.- Canolol: A promising chemical agent against oxidative stress (2011)
 
33.- Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals (2011)
 
34.- Mechanism and kinetics studies on the antioxidant activity of sinapinic acid (2011)
 
35.- Theoretical study on the chemical fate of adducts formed through free radical addition reactions to carotenoids (2010)
 
36.- Deprotonation Mechanism and log P Values of New Antihypertensive Thiomorpholinylmethylphenols: A Combined Experimental and Theoretical Study (2010)
 
37.- Effect of Different Functional Groups on the Free Radical Scavenging Capability of Single-Walled Carbon Nanotubes (2010)
 
38.- Mechanism and Branching Ratios of Hydroxy Ethers + (OH)-O-center dot Gas phase Reactions: Relevance of H Bond Interactions (2010)
 
39.- Mechanism of the OH Radical Scavenging Activity of Nordihydroguaiaretic Acid: A Combined Theoretical and Experimental Study (2010)
 
40.- Free Radical Scavenging Activity of Ultrashort Single-Walled Carbon Nanotubes with Different Structures through Electron Transfer Reactions (2010)
 
41.- Influence of Point Defects on the Free-Radical Scavenging Capability of Single-Walled Carbon Nanotubes (2010)
 
42.- Counterpoise corrected interaction energies are not systematically better than uncorrected ones: comparison with CCSD(T) CBS extrapolated values (2010)
 
43.- On the Free Radical Scavenging Capability of Carboxylated Single-Walled Carbon Nanotubes (2010)
 
44.- Carotenoids can act as antioxidants by oxidizing the superoxide radical anion (2010)
 
45.- OH Radical Gas Phase Reactions with Aliphatic Ethers: A Variational Transition State Theory Study (2009)
 
46.- Peroxyl-Radical-Scavenging Activity of Garlic: 2-Propenesulfenic Acid versus Allicin (2009)
 
47.- Guanosine plus OH Radical Reaction in Aqueous Solution: A Reinterpretation of the UV-vis Data Based on Thermodynamic and Kinetic Calculations (2009)
 
48.- What is Important to Prevent Oxidative Stress? A Theoretical Study on Electron-Transfer Reactions between Carotenoids and Free Radicals (2009)
 
49.- Deprotonation Mechanism of New Antihypertensive Piperidinylmethylphenols: A Combined Experimental and Theoretical Study (2009)
 
50.- Reactions of OOH Radical with beta-Carotene, Lycopene, and Torulene: Hydrogen Atom Transfer and Adduct Formation Mechanisms (2009)
 
51.- Role of the Sulfur Atom on the Reactivity of Methionine toward OH Radicals: Comparison with Norleucine (2009)
 
52.- On the mechanism of the OH initiated oxidation of acetylene in the presence of O-2 and NO (x) (2008)
 
53.- Theoretical explanation of nonexponential OH decay in reactions with benzene and toluene under pseudo-first-order conditions (2008)
 
54.- Quantum chemistry and TST study of the mechanism and kinetics of the butadiene and isoprene reactions with mercapto radicals (2008)
 
55.- Branching ratios of aliphatic amines plus OH gas-phase reactions: A variational transition-state theory study (2008)
 
56.- Stability and electronic structure of Si, Ge, and Ti substituted single walled carbon nanotubes (2008)
 
57.- Theoretical approach to cationic polymerization of alkenylfurans. II. Ab initio and semiempirical study of relevant steps in the reaction mechanism (1992)
 
Colaboraciones en Tesis:No hay tesis de este autor.
Patentes:No hay patentes de este autor.