Researcher ID: B-9809-2009             ORCID: 0000-0002-1470-3060

Manuel Alejandro Hernández-Olivares, Agustin Ibarra-Escutia, Gabriela Mendoza-Sarmiento, Alberto Rojas-Hernández, Annia Galano “Elucidation of the Complex Deprotonation Routes of Changrolin, the Antihypertensives LQM-303 and LQM-303B, and their Derivatives” ‎Comp. Theor. Chem. 2017, 1115, 229–238. Abstract  PDF

Adriana Pérez-González, Annia Galano, J. Raúl Alvarez-Idaboy, Dun Xian Tan, Russel J. Reiter “Radical-trapping and preventive antioxidant effects of 2-hydroxymelatonin and 4-hydroxymelatonin: Contributions to the melatonin protection against oxidative stress” BBA-Gen. Subjects 2017, 1861, 2206–2217.    Abstract  PDF

Vanessa Ramírez-Delgado, Alia Méndez-Albores, Annia Galano, Felipe J. González “The spontaneous decarboxylation of strong carboxylic acid-carboxylate mixtures and the use of carbon surfaces to trap  the released free radicals” Electrochim. Acta 2017, 245, 472–481. Abstract  PDF

Leonardo Muñoz-Rugeles, Annia Galano, Juan Raúl Alvarez-Idaboy “The Role of Acid-Base Equilibria in Formal Hydrogen Transfer Reactions: Tryptophan Radicals Repair by Uric Acid as a Paradigmatic Case” Phys. Chem. Chem. Phys. 2017, 19, 15296–15309. Abstract  HTML  PDF  Supp Info

Adriana Perez-Gonzalez, Juan R. Alvarez-Idaboy, Annia Galano “Dual antioxidant/pro-oxidant behavior of the tryptophan metabolite 3-hydroxyanthranilic acid: a theoretical investigation of reaction mechanisms and kinetics” New J. Chem. 2017, 41, 3829–3845. Abstract  HTML  PDF  Supp Info

Leonardo Muñoz-Rugeles, Annia Galano, J. Raúl Alvarez-Idaboy “Non-Covalent π-π Stacking Interactions Turn Off Non-Adiabatic Effects in Proton-Coupled Electron Transfer Reactions” Phys. Chem. Chem. Phys. 2017, 19, 6969–6972.  Abstract  HTML  PDF  Supp Info

Annia Galano, Leonardo Muñoz-Rugeles, Juan Raul Alvarez-Idaboy, Junwei Lucas Bao, Donald G. Truhlar. “Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants” J. Phys. Chem. A 2016, J. Phys. Chem. A 2016, 120, 4634−4642.  Abstract  HTML  PDF  Supp Info

Annia Galano “A First Principles Investigation on the Electron Donor Ability of Synthetic Melatonin Derivatives: Implications for their Antioxidant Activity” Theor. Chem. Acc. 2016, 135, art. 157 (12 pag.). Abstract  HTML  PDF

Jorge Rafael León-Carmona, Annia Galano, Juan Raúl Alvarez-Idaboy “Deprotonation Routes of Anthocyanidins in Aqueous Solution, pKa Values, and Speciation under Physiological Conditions” RSC Adv. 2016, 6, 53421–53429.  Abstract  HTML  PDF  Supp Info

M.M. Cid-Cerón, D.S. Guzmán-Hernández, M.T. Ramírez-Silva1, A. Galano, M. Romero-Romo, M. Palomar-Pardavé “New Insights on the Kinetics and Mechanism of the Electrochemical Oxidation of Diclofenac in Neutral Aqueous Medium” Electrochim. Acta 2016, 199, 92–98.    HTML  PDF  Supp Info

Gabriela Mendoza-Sarmiento, Alberto Rojas-Hernández, Annia Galano, Atilano Gutiérrez “A combined experimental-theoretical study of the acid-base behavior of mangiferin: implications for its antioxidant activity” RSC Adv. 2016, 6, 51171–51182.  Abstract  HTML  PDF  Supp Info

Gloria Mazzone, Annia Galano, Juan R. Alvarez-Idaboy, Nino Russo “Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms” J. Chem. Inf. Model. 2016, 56, 662-670.  Abstract  HTML   PDF  Supp Info

Annia Galano, Gloria Mazzone, Ruslán Alvarez-Diduk, Tiziana Marino, J. Raúl Alvarez-Idaboy, Nino Russo. “Food Antioxidants: Chemical Insights at the Molecular Level” Annu. Rev. Food Sci. Technol. 2016, 7, 335–352. Abstract  HTML  PDF

Annia Galano “Computational-Aided Design of Melatonin Analogues with Outstanding Multifunctional Antioxidant Capacity” RSC Adv. 2016, 6, 22951 - 22963. Abstract  HTML  PDF  Supp Info

Ruslán Álvarez-Diduk, Annia Galano, Dun Xian Tan, Russel J. Reiter. “The Key Role of the Sequential Proton Loss Electron Transfer Mechanism on the Free Radical Scavenging Activity of Some Melatonin-Related Compounds” Theor. Chem. Acc. 2016, 135, article 38 (5 pages). Abstract  HTML  PDF  Supp Info

Tiziana Marino, Nino Russo, Annia Galano “A Deeper Insight on the Radical Scavenger Activity of Two Simple Coumarins towards OOH Radical” Comput. Theor. Chem. 2016, 1077, 133–138.   HTML  PDF  Supp Info

Misaela Francisco-Marquez, Mario Aguilar-Fernández, Annia Galano “Anthranilic Acid as a Secondary Antioxidant: Implications to the inhibition of •OH production and the Associated Oxidative Stress” Comput. Theor. Chem. 2016, 1077, 18–24.   HTML  PDF

Jorge Vazquez-Arenas, Annia Galano, Dong Un Lee, Drew Higgins, Zhongwei Chen. “Theoretical and Experimental Studies of Highly Active Graphene Nanosheets to determine Catalytic Nitrogen Sites Responsible for the Oxygen Reduction Reaction in Alkaline Media” J. Mater. Chem. A 2016, 4, 976-990. Abstract  HTML  PDF  Supp Info

Annia Galano “Free Radicals Induced Oxidative Stress at a Molecular Level: The Current Status, Challenges and Perspectives of Computational Chemistry Based Protocols” J. Mex. Chem. Soc. 2015, 59, 231-262. PDF

Yenny Villuendas-Rey, Juan Raul Alvarez-Idaboy, Annia Galano “Assessing the Protective Activity of a Recently Discovered Phenolic Compound against Oxidative Stress using Computational Chemistry” J. Chem. Inf. Model. 2015, 55, 2552−2561.  Abstract  HTML  PDF  Supp Info

Lucien C. Manchester, Ana Coto-Montes, Jose Antonio Boga, Lars Peter H. Andersen, Zhou Zhou, Annia Galano, Jerry Vriend, Dun-Xian Tan, Russel J. Reiter "Melatonin: An Ancient Aid for Making Oxygen Metabolically Tolerable" J. Pineal Res. 2015, 59, 403–419.  Abstract  HTML  PDF

Hector Corzo, Annia Galano, Olga Dolgounitcheva, Viatcheslav Zakrzewski, Joseph V. Ortiz, “NR2 And P3+: Accurate, Efficient Electron–Propagator Methods For Calculating Valence, Vertical Ionization Energies Of Closed–Shell Molecules" J. Phys. Chem. A 2015, 119, 8813–8821. Abstract  HTML  PDF  Supp Info

Adriana Pérez-González, Juan Raúl Alvarez-Idaboy, Annia Galano “Free Radical Scavenging Activity of Tryptophan and its Metabolites by Electron Transfer Based Processes” J. Mol. Model. 2015, 21: art. 213, 1−11.  Abstract  HTML  PDF  Supp Info

Ruslán Álvarez-Diduk, Annia Galano, Dun Xian Tan, Russel J. Reiter “N-acetylserotonin and 6-hydroxymelatonin against Oxidative Stress: Implications for the Overall Protection Exerted by Melatonin” J. Phys. Chem. B 2015, 119, 8535−8543. Abstract  HTML  PDF  Supp Info

Manuel E. Medina, Annia Galano, Ángel Trigos “Theoretical Study on the Oxidative Damage to Cholesterol Induced by Peroxyl Radicals” J. Phys. Org. Chem. 2015, 28, 504–508.  Abstract  HTML  PDF

Russel J. Reiter, Dun-Xian Tan, Zhou Zhou, Maria Helena Coelho Cruz, Lorena Fuentes-Broto and Annia Galano “Phytomelatonin: Assisting Plants to Survive and Thrive” Molecules 2015, 20, 7396–7437.  Abstract  HTML   PDF

J. Aburto, M. Moran, A. Galano, E. Torres-García. “Non-isothermal pyrolysis of pectin: A thermochemical and kinetic approach” J. Anal. Appl. Pyrol. 2015, 112, 94–104. Abstract  HTML  PDF 

Sandra Ramírez-Rave, Agileo Hernández-Gordillo, Héctor A. Calderón, Annia Galano, Cinthia García-Mendoza, Ricardo Gómez. “Synthesis of new ZnS-Bipy based hybrid Organic-Inorganic materials for photocatalytic reduction of 4-nitrophenol” New J. Chem. 2015, 39, 2188–2194. Abstract  HTML  PDF

Ruslán Álvarez-Diduk, Annia Galano “Adrenaline and Noradrenaline: Protectors against Oxidative Stress or Molecular Targets?” J. Phys. Chem. B 2015, 119, 3479−3491.  Abstract  HTML  PDF  Supp Info

Manuel E. Medina, Annia Galano, J. Raúl Alvarez-Idaboy “Site reactivity in the free radicals induced damage to leucine residues: a theoretical study” Phys. Chem. Chem. Phys. 2015, 17, 4970–4976. Abstract   HTML   PDF  Supp Info

Annia Galano, Manuel E. Medina, Dun Xian Tan, and Russel J. Reiter. “Melatonin and its Metabolites as Copper Chelating Agents and their Role in Inhibiting Oxidative Stress: A Physicochemical Analysis” J. Pineal Res. 2015, 58, 107–116. Abstract  HTML  PDF

Gloria Mazzone, Naim Malaj, Annia Galano, Nino Russo, Marirosa Toscano. “Antioxidant properties of several Coumarin-Chalcone hybrids from theoretical insights”. RSC Adv. 2015, 5, 565–575.  Abstract  PDF  HTML  Supp Info

Annia Galano, Juan Raúl Alvarez-Idaboy “Kinetics of Radical Molecule Reactions in Aqueous Solution: A Benchmark Study of the Performance of Density Functional Methods” J. Comput. Chem. 2014, 35, 2019–2026.  Abstract  PDF  HTML  Supp Info

Claudia Zavala-Oseguera, Annia Galano, Gabriel Merino “A Computational Study on the Kinetics and Mechanism of the Carbaryl + OH Reaction” J. Phys. Chem A 2014, 118, 7776-7781. Abstract  PDF  HTML  Supp Info

Russel J. Reiter, Dun Xian Tan, Annia Galano, “Melatonin: Exceeding Expectations” Physiology 2014, 29, 302-303. Abstract  PDF

Tiziana Marino, Annia Galano, Nino Russo “On the Radical Scavenging Ability of Gallic Acid toward OH and OOH Radicals. Reaction Mechanism and Rate Constants from the Density Functional Theory” J. Phys. Chem B 2014, 118, 10380-10389.  Abstract  PDF  HTML  Supp Info

Jorge Rafael León-Carmona, Ana Martínez, Annia Galano “New Free Radicals to Measure Antiradical Capacity: A Theoretical Study” J. Phys. Chem B 2014, 118, 10092–10100. Abstract  PDF  HTML  Supp Info

Annia Galano, Adriana Pérez-González, Lourdes del Olmo, Misaela Francisco-Marquez, Jorge Rafael León-Carmona. “On the Chemical Behavior of C60 Hosting H2O and Other Isoelectronic Neutral Molecules” J. Mol. Model. 2014, 20, 2412 (12 pag)  Abstract  PDF

Adriana Pérez-González, Annia Galano, J. V. Ortiz “Vertical Ionization Energies of Free Radicals and Electron Detachment Energies of Their Anions: A Comparison of Direct and Indirect Methods Versus Experiment”. J. Phys. Chem A 2014, 118, 6125–6131. Abstract  PDF  HTML  Supp Info

Lindsay S. Hernández-Muñoz, Annia Galano, Pablo D. Astudillo-Sánchez, Mahdi M. Abu-Omar, Felipe J. González "The mechanism of mediated oxidation of carboxylates with ferrocene as redox catalyst in absence of grafting effects. An experimental and theoretical approach" Electrochim. Acta 2014, 136, 542–549. Abstract  PDF 

Adriana Pérez-González, Annia Galano, Juan Raúl Alvarez-Idaboy “Dihydroxybenzoic Acids as Free Radical Scavengers: Mechanisms, Kinetics, and Trends in Activity” New J. Chem. 2014, 38, 2639–2652. Abstract  PDF  HTML

Annia Galano, Misaela Francisco Marquez, Adriana Pérez-González “Ellagic Acid: an Unusually Versatile Protector against Oxidative Stress” Chem. Res. Toxicol. 2014, 27, 904–918. Abstract  PDF  HTML  Supp Info

Dun Xian Tan, R. Hardeland, LC Manchester, Galano A, Russel J. Reiter “Cyclic-3-Hydroxymelatonin (C3HOM), a Potent Antioxidant, Scavenges free Radicals and Suppresses Oxidative Reactions” Curr. Med. Chem. 2014, 21, 1557−1565. Abstract PDF

Annia Galano, Dun Xian Tan, Russel J. Reiter “Cyclic 3-Hydroxymelatonin, a Key Metabolite Enhancing the Peroxyl Radical Scavenging Activity of Melatonin” RSC Advances 2014, 4, 5220–5227. Abstract   HTML  PDF

Manuel E. Medina, Annia Galano, Juan Raúl Alvarez-Idaboy “Theoretical Study on the Peroxyl Radicals Scavenging Activity of Esculetin and its Regeneration in Aqueous Solution” Phys. Chem. Chem. Phys. 2014, 16, 1197−1207. Abstract  HTML  PDF

Ruslán Álvarez-Diduk, María Teresa Ramírez-Silva, Annia Galano, Arben Mercoçi “Deprotonation Mechanism and Acidity Constants in Aqueous Solution of Flavonols: a Combined Experimental and Theoretical Study” J. Phys. Chem. B 2013, 117, 12347−12359. Abstract  HTML  PDF

Moises Cordova-Gomez, Annia Galano, J. Raúl Alvarez-Idaboy “Piceatannol, a better peroxyl radical scavenger than Resveratrol” RSC Advances 2013, 3, 20209–20218. Abstract  HTML  PDF 

Annia Galano, Juan Raúl Alvarez-Idaboy “A Computational Methodology for Accurate Predictions of Rate Constants in Solution: Application to the Assessment of Primary Antioxidant Activity” J. Comput. Chem. 2013, 34, 2430–2445. Abstract  HTML  PDF 

M. T. Ramírez-Silva, D. S. Guzmán-Hernández, A. Galano, A. Rojas-Hernández, S. Corona-Avendaño, M. Romero-Romo, M. Palomar-Pardavé. “Spectro-Electrochemical and DFT Study of Tenoxicam Metabolites Formed by Electrochemical Oxidation” Electrochim. Acta 2013, 111, 314-323. Abstract  PDF

Pablo Labra-Vázquez, Annia Galano,  Margarita Romero-Ávila, Marcos Flores-Álamo, Martín A. Iglesias-Arteaga “Unambiguous Assignment of 13C 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” ARKIVOC 2013, iv, 107-125. Abstract  PDF

Elizabeth Hernandez-Marin, Annia Galano, Ana Martínez “Cis Carotenoids: Colorful Molecules and Free Radical Quenchers” J. Phys. Chem. B 2013, 117 (15), 4050-4061. Abstract  HTML  PDF  Supp Info

Annia Galano, Dun Xian Tan, Russel J. Reiter “On the free radical scavenging activities of melatonin’s metabolites, AFMK and AMK” J. Pineal Res. 2013, 54 (3), 245–257. Abstract  HTML  PDF

Inés Nicolás-Vázquez, Guadalupe Pérez-Caballero, Annia Galano Jiménez, Georgina Guzmán Rangel, René Miranda Ruvalcaba “A novel azocompound, 2-(4-phenylazoaniline)-4-phenylphenol: spectroscopic and quantum-chemical approach” Int. J. Quantum Chem. 2013, 113, 1107–1115. Abstract  HTML  PDF

Marta E. Alberto, Nino Russo, Andre Grand, Annia Galano “A Physicochemical Examination of the Free Radical Scavenging Activity of Trolox: Mechanism, Kinetics and Influence of the Environment” Phys. Chem. Chem. Phys. 2013, 15, 4642-4650. Abstract  HTML  PDF

Adriana Pérez-González, Annia Galano “On the Hydroperoxyl Radical Scavenging Activity of Two Edaravone Derivatives: Mechanism and Kinetics” J. Phys. Org. Chem. 2013, 26 (3), 261–268.  Abstract  HTML  PDF

Drochss P. Valencia, Pablo D. Astudillo, Annia Galano, Felipe J. González "Self-decarboxylation of trichloroacetic acid redox catalyzed by trichloroacetate ions in acetonitrile solutions" Org. Biomolec. Chem. 2013, 11 (2), 318-325. Abstract  HTML  PDF

Annia Galano, Martín Gómez, Felipe J. González, Ignacio González "Correlation between Hydrogen Bonding Association Constants in Solution with Quantum Chemistry Indexes. The Case of Successive Association between Reduced Species of Quinones and Methanol" J. Phys. Chem. A 2012, 116 (43), 10638-10645. Abstract  HTML  PDF  Supp Info

Jorge Rafael León-Carmona, Annia Galano “Free Radical Scavenging Activity of Caffeine’s Metabolites” Int. Int. J. Quantum Chem. 2012, 112 (21), 3472–3478. Abstract  HTML  PDF  Supp Info

Aida Mariana Rebollar-Zepeda, Annia Galano “First Principles Calculations of pKa Values of Amines in Aqueous Solution: Application to Neurotransmitters” Int. J. Quantum Chem. 2012, 112 (21), 3449–3460. Abstract  HTML  PDF  Supp Info

Adriana Perez-González, Annia Galano, “On the •OH and •OOH Scavenging Activity of 3-methyl-1-pyridin-2-yl-5-pyrazolone. Comparisons with its Parent Compound, Edaravone.” Int. J. Quantum Chem. 2012, 112 (21), 3441–3448. Abstract  HTML  PDF  Supp Info

Annia Galano, Adriana Pérez-González “On the Free Radical Scavenging Mechanism of Protocatechuic Acid, Regeneration of the Catechol Group in Aqueous Solution” Theor. Chem. Acc. 2012, 131 (9), 1265. Abstract  HTML  PDF  Supp Info

Annia Galano, Juan Raúl Alvarez-Idaboy “On the Evolution of One-Electron-Oxidized Deoxyguanosine in Damaged DNA under Physiological Conditions, a DFT and ONIOM Study on Proton Transfer and Equilibrium” Phys. Chem. Chem. Phys. 2012, 14 (36), 12476-12484.  Abstract  HTML  PDF

Jorge Rafael León-Carmona, Juan Raúl Alvarez-Idaboy, Annia Galano “On the Peroxyl Scavenging Activity of Hydroxycinnamic Acid Derivatives. Mechanisms, Kinetics, and Importance of the Acid/Base Equilibria” Phys. Chem. Chem. Phys. 2012, 14 (36), 12534-12543.  Abstract  PDF  Rich HTML

Adriana Pérez-González, Aida Mariana Rebollar-Zepeda, Jorge Rafael León-Carmona, Annia Galano “Reactivity Indexes and O-H Bond Dissociation Energies of a Large Series of Polyphenols: Implications for their Free Radical Scavenging Activity” J. Mex. Chem. Soc. 2012, 56 (3), 241-249.  PDF

Juan Raúl Alvarez-Idaboy, Annia Galano “On the Chemical Repair of DNA Radicals by Glutathione: Hydrogen vs. Electron Transfer” J. Phys. Chem. B 2012, 116 (31), 9316-9325. Abstract  HTML  PDF  Supp Info

Annia Galano, Jorge Rafael León-Carmona, Juan Raúl Alvarez-Idaboy “Influence of the Environment on the Protective Effects of Guaiacol Derivatives against Oxidative Stress: Mechanisms, Kinetics, and Relative Antioxidant Activity” J. Phys. Chem. B 2012, 116 (24), 7129-7137.  Abstract  HTML  PDF

Annia Galano, Juan Raúl Alvarez-Idaboy, Misaela Francisco-Márquez, Manuel E. Medina “A Quantum Chemical Study on the Free Radical Scavenging Activity of Tyrosol and Hydroxytyrosol” Theor. Chem. Acc. 2012, 131, 1173. Abstract  PDF  HTML

Ana Martínez, Annia Galano “Xanthones as antioxidants: A theoretical study on the thermodynamics and kinetics of the single electron transfer mechanism” Food & Function 2012, 3, 442–450. Abstract  PDF  HTML

Annia Galano, Ana Martínez “Capsaicin, a Tasty Free Radical Scavenger: Mechanism of Action and Kinetics” J. Phys. Chem. B 2012, 116, 1200–1208.  Abstract  PDF  HTML

Adriana Perez-González, Annia Galano, “On the Outstanding Antioxidant Capacity of Edaravone Derivatives through Single Electron Transfer Reactions” J. Phys. Chem. B 2012, 116, 1180–1188. Abstract  PDF  HTML  Supp Info

D. S. Guzmán-Hernández, M. T. Ramírez-Silva, M. Palomar-Pardavé, S. Corona-Avendaño, Annia Galano, A. Rojas-Hernández, M. Romero-Romo “Electrochemical Characterization Of Tenoxicam Using A Bare Carbon Paste Electrode Under Stagnant And Forced Convection Conditions” Electrochim. Acta 2012, 59, 150-155.  Abstract  PDF

Jorge Rafael Leon-Carmona and Annia Galano “Uric and 1-Methyluric Acids: Metabolic Wastes or Antiradical Protectors? J. Phys. Chem. B 2011, 115 (51), 15430–15438. Abstract  PDF  HTML  Supp Info

Annia Galano, J. Raúl Alvarez-Idaboy “Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals” RSC Advances 2011, 1, 1763–1771. Abstract  PDF  HTML

Perla D. Maldonado, J. Raúl Alvarez-Idaboy, Adriana Aguilar-González, Alfonso Lira-Rocha, Helgi Jung-Cook, Omar Noel Medina-Campos, José Pedraza-Chaverrí, Annia Galano “Role of Allyl Group on the Hydroxyl and Peroxyl Radical Scavenging Activity of S-Allylcysteine” J. Phys. Chem. B. 2011, 115, 13408–13417. Abstract  PDF  HTML

Annia Galano, J. Raúl. Alvarez-Idaboy, Misaela Francisco-Márquez "Physicochemical Insights on the Free Radical Scavenging Activity of Sesamol: Importance of the Acid/Base Equilibrium" J. Phys. Chem. B. 2011, 115, 13101–13109. Abstract  PDF  HTML  Supp Info

Ana Martínez, Annia Galano, Rubicelia Vargas “Free Radical Scavenger Properties of Alfa-mangostin: Thermodynamics and Kinetics of HAT and RAF Mechanisms” J. Phys. Chem. B. 2011, 115, 12591–12598. Abstract  PDF  HTML

Adriana Pérez-González, Annia Galano “Ionization energies, proton affinities, and pKas of a large series of Edaravone derivatives: implication for their free radical scavenging activity” J. Phys. Chem. B. 2011, 115, 10375–10384. Abstract  PDF  HTML  Supp Info

Annia Galano, “Mechanism and kinetics of the hydroxyl and hydroperoxyl radical scavenging activity of N-acetylcysteine amide” Theor. Chem. Acc. 2011. 130, 51–60. Abstract  PDF  HTML  Supp Info

Aida Mariana Rebollar-Zepeda, Tania Campos-Hernández, María Teresa Ramírez-Silva, Alberto Rojas-Hernández, Annia Galano “Searching for computational strategies to accurately predict pKas of large phenolic derivatives” J. Chem. Theory Comput. 2011, 7, 2528–2538. Abstract  PDF  HTML  Supp Info

Enelio Torres-García, Annia Galano, Geonel Rodriguez-Gattorno “Oxidative desulfurization (ODS) of organosulfur compounds catalyzed by peroxo-metallate complexes of WOx-ZrO2: thermochemical, structural and reactivity indexes analyses” , J. Catal. 2011, 282, 201–208. Abstract  PDF

Annia Galano, Dun Xian Tan, Russel J. Reiter “Melatonin as a natural ally against oxidative stress: a physicochemical examination” J. Pineal Res. 2011, 51, 1-16.  Abstract  PDF  HTML

Annia Galano, Misaela Francisco-Márquez, Juan R. Alvarez-Idaboy. Canolol: a promising chemical agent against oxidative stress” J. Phys. Chem. B 2011, 115, 8590–8596. Abstract  PDF  HTML  Supp Info

Annia Galano, Misaela Francisco-Márquez, J. Raúl. Alvarez-Idaboy “Mechanism and kinetics studies on the antioxidant activity of sinapinic acid” Phys. Chem. Chem. Phys. 2011, 13 (23), 11199–11205. Abstract  PDF  HTML

Jorge Rafael León-Carmona, Annia Galano “Is caffeine a good scavenger of oxygenated free radicals?” J. Phys. Chem. B 2011, 115, 4538–4546.  Abstract  PDF  HTML

Annia Galano “On the direct scavenging activity of melatonin towards hydroxyl and a series of peroxyl radicals” Phys. Chem. Chem. Phys. 2011, 13, 7147–7157.  Abstract  PDF  HTML

Adriana Pérez-González, Annia Galano “OH Radical Scavenging Activity of Edaravone: Mechanism and Kinetics” J. Phys. Chem. B 2011, 115, 1306–1314.  Abstract  PDF  HTML  Supp Info

Tessy Lopez, Anna Kozina, Karla Espinoza, Roberto Alexander-Katz, Annia Galano “The Role of Hydrolysis Degree in the Drug-Matrix Interactions of Nanosized Sol-Gel Titania Reservoirs for Epilepsy Treatment” J. Phys. Chem. C 2010, 114, 20022–20027. Abstract  PDF  HTML

Ana Martínez, Rubicelia Vargas, Annia Galano “Theoretical Study on the Chemical Fate of Adducts Formed through Free Radical Addition Reactions to Carotenoids” Theor. Chem. Acc. 2010, 127, 595-603. Abstract  PDF  HTML

Karla Sanpedro-Montoya, Beatriz Martínez-Pérez, Annia Galano, Enrique Angeles, Víctor H. Abrego, María Teresa Ramírez-Silva, Alberto Rojas-Hernández  “Deprotonation mechanism and logP values of new antihypertensive thiomorpholinylmethylphenols: A combined experimental and theoretical study” J Chem. & Engineering Data 2010, 55, 4323–4331. Abstract  PDF  HTML

Ana Martínez, Misaela Francisco-Marquez, Annia Galano  “Effect of Different Functional Groups on the Free Radical Scavenging Capability of Single-Walled Carbon Nanotubes” J. Phys. Chem. C 2010, 114, 14734–14739. Abstract  PDF  HTML  Supp Info

Annia Galano, Juan R. Alvarez-Idaboy, Misaela Francisco-Marquez, “Mechanism and Branching Ratios of Hydroxy Ethers + •OH Gas Phase Reactions: Relevance of H Bond Interactions” J. Phys. Chem. A 2010, 114, 7525–7536.  Abstract  PDF  HTML Supp Info

Annia Galano, Norma A. Macías-Ruvalcaba, Omar Noel Medina Campos, José Pedraza-Chaverri “Mechanism of the OH Radical Scavenging Activity of Nordihydroguaiaretic Acid: A Combined Theoretical and Experimental Study” J. Phys. Chem. B 2010, 114, 6625–6635.   Abstract   PDF   HTML

Annia Galano, Marcela Narciso-Lopez, Misaela Francisco-Marquez “Water Complexes of Important Air Pollutants: Geometries, Complexation Energies, Concentrations, Infrared Spectra and Intrinsic Reactivity” J. Phys. Chem. A 2010, 114, 5796–5809. Abstract  PDF  HTML  Supp Info

Ana Martinez, Annia Galano “Free Radical Scavenging Activity of Ultra Short Single Walled Carbon Nanotubes with Different Structures through Electron Transfer Reactions” J. Phys. Chem. C 2010, 114, 8184–8191. Abstract  PDF  HTML  Supp Info

Annia Galano, Misaela Francisco-Marquez, Ana Martinez "Influence of Point Defects on the Free Radical Scavenging Capability of Single-Walled Carbon Nanotubes" J. Phys. Chem. C 2010, 114, 8302–8308.  Abstract  PDF  HTML

Misaela Francisco-Marquez, Annia Galano, Ana Martinez "On the Free Radical Scavenging Capability of Carboxylated Single-Walled Carbon Nanotubes" J. Phys. Chem. C 2010, 114, 6363–6370.  Abstract  PDF  HTML  Supp Info

J. Raul Alvarez-Idaboy, Annia Galano “Counterpoise corrected interaction energies are not systematically better than uncorrected ones: Comparison with CCSD(T) CBS extrapolated values” Theor. Chem. Acc. 2010, 126, 75–85.  Abstract PDF  HTML

A. Galano “Carbon Nanotubes: Promising Agents against Free Radicals” Nanoscale 2010, 2(3), 373-380.  Abstract
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Annia Galano, Rubicelia Vargas, Ana Martínez “Carotenoids can act as antioxidants by oxidizing the superoxide radical anion” Phys. Chem. Chem. Phys. 2010, 12, 193–200
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Annia Galano, Misaela Francisco-Márquez "Peroxyl-Radical-Scavenging Activity of Garlic: 2-propenesulfenic Acid vs. Allicin" J. Phys. Chem. B, 2009, 113, 16077–16081 Abstract  PDF  HTML  Supp Info

Claudia Zavala-Oseguera, Juan R. Alvarez-Idaboy, Gabriel Merino, Annia Galano “OH Radical Gas Phase Reactions with Aliphatic Ethers: A Variational Transition State Theory Study” J. Phys. Chem. A, 2009, 113, 13913-13920 Abstract  HTML  PDF  Supp Info

Annia Galano, J. Raúl Alvarez-Idaboy “Guanosine + OH radical reaction in aqueous solution: A reinterpretation of the UV-Vis data based on thermodynamic and kinetic calculations” Org. Lett. 2009, 11, 5114-5117. Abstract  Supporting Info  HTML  PDF

Annia Galano, “Influence of Diameter, Length, and Chirality of Single-Walled Carbon Nanotubes on their Free Radical Scavenging Capability”, J. Phys. Chem. C, 2009, 113, 18487–18491. Abstract  HTML  PDF

Geonel Rodriguez-Gattorno, Annia Galano, Enelio Torres-García “Surface acid-basic properties of WOx-ZrO2 and catalytic efficiency in oxidative desulfurization” Appl. Cat. B. 2009, 92, 1-8. Abstract  PDF

Annia Galano, Misaela Francisco-Márquez “Reactions of OOH Radical with β-Carotene, Lycopene and Torulene: Hydrogen Atom Transfer and Adduct Formation Mechanisms” J. Phys. Chem. B 2009, 113, 11338–11345. Abstract  Supp Info  HTML  PDF

Annia Galano, Ruslán Álvarez-Diduk, M. Teresa Ramírez-Silva, Georgina Alarcón-Ángeles, Alberto Rojas-Hernández “Role of the Reacting Free Radicals on the Antioxidant Mechanism of Curcumin” Chem. Phys. 2009, 363, 13-23. Abstract  PDF

Claudia Zavala-Oseguera, Annia Galano “CBS-QB3 + VTST Study of methyl N-methylcarbamate + OH Gas Phase Reaction: Mechanism, Kinetics and Branching Ratios” J. Chem. Theory Comput. 2009, 5, 1295–1303. Abstract  Supp Info  HTML  PDF

Ana Martínez, Rubicelia Vargas, Annia Galano “What is important to prevent oxidative stress? A theoretical study on Electron Transfer Reactions between carotenoids and free radicals” J. Phys. Chem. B 2009, 113, 12113–12120. Abstract  Supp Info  HTML  PDF

J. Manuel Islas Martínez, Damaris Rodríguez-Barrientos, Annia Galano, Enrique Ángeles, Luis A. Torres, Fabiola Olvera, M. Teresa Ramírez-Silva, Alberto Rojas-Hernández “Deprotonation mechanism of new antihypertensive piperidinylmethylphenols: A combined experimental and theoretical study” J. Phys. Chem. B 2009, 113, 11765–11774. Abstract  HTML  PDF

Misaela Francisco-Marquez, Annia Galano, "Role of the Sulfur Atom on the Reactivity of Methionine toward OH Radicals: Comparison with Norleucine" J. Phys. Chem. B 2009, 113, 4947-4952. Abstract  Supp Info  HTML PDF

M. González, A. Galano, J. Rieumont, T. López, D. Dupeyron, L. Albaran, “Drug-Matrix interactions in nanoparticles containing acetyl salicylic acid using an enteric polymer as a coating” J. Phys. Chem. C 2008, 112, 20222–20226. Abstract  HTML  PDF

Annia Galano, Luis Gerardo Ruiz-Suárez, Annik Vivier-Bunge, “On the Mechanism of the OH Initiated Oxidation of Acetylene in the presence of O2 and NOx” Theoretical Chemistry Accounts 2008, 121, 219-225. Abstract  PDF

Annia Galano, Geonel Rodriguez-Gattorno, Enelio Torres-García “A Combined Theoretical-Experimental Study on the Acidity of WOx-ZrO2 Systems”, Phys. Chem. Chem. Phys. 2008, 10, 4181-4188. Abstract  HTML  PDF

Armando Cruz-Torres, Ascención Romero-Martínez, Annia Galano, "Computational Study on the Antifreeze Glycoproteins as Inhibitors of Clathrate-Hydrate Formation", Chem. Phys. Chem. 2008, 9, 1630-1635. Abstract  HTML  PDF

Victor Uc, Juan R. Alvarez-Idaboy, Annia Galano, Annik Vivier, "A theoretical explanation of non-exponential OH decay in reactions with Benzene and Toluene using pseudo-first order conditions" J. Phys. Chem. A 2008, 112, 7608–7615. Abstract  HTML  PDF

Annia Galano “Carbon Nanotubes as Free Radical Scavengers” J. Phys. Chem. C 2008, 112, 8922-8927. Abstract  HTML  PDF

Annia Galano, Misaela Francisco-Márquez “Reactivity of Silicon and Germanium doped CNTs toward aromatic sulfur compounds: A theoretical approach.” Chem. Phys. 2008, 345, 87-94.  Abstract  PDF

Cristina Iuga, Annia Galano, Annik Vivier-Bunge, “Theoretical Investigation of the OH Radical Initiated Oxidation of Benzaldehyde in the Troposphere” ChemPhysChem 2008, 9, 1453 – 1459. Abstract    HTML   PDF

Misaela Francisco-Márquez, J. Raul Alvarez-Idaboy, Annia Galano, Annik Vivier-Bunge “Theoretical Determination of Arrhenius Parameters for the Butadiene and Isoprene Reactions with Mercapto Radicals” Chem. Phys. 2008, 344, 273-280. Abstract   PDF

Annia Galano, J. Raul Alvarez-Idaboy, “Branching Ratios of Aliphatic Amines + OH Gas Phase Reactions: A Variational Transition-State Theory Study”, J. Chem. Theory Comput. 2008, 4, 322-327. Abstract  HTML   PDF

Annia Galano, Armando Cruz-Torres “OH Radical Reactions with Phenylalanine in Free and Peptide Forms” Org. & Biomolec. Chemistry, 2008, 6, 732-738. Abstract  PDF

Annia Galano, Emilio Orgaz “Stability and electronic structure of Si, Ge and Ti substituted single walled carbon nanotubes” Phys. Rev. B. 77, 045111, 2008. Abstract PDF (743 kB)  

A. Galano, J. R. Alvarez-Idaboy "Atmospheric Reactions of Oxygenated Compounds + OH radicals: Role of Hydrogen-Bonded Intermediates and Transition States". Chapter 12 pag. 245-274. In Advances in Quantum Chemistry; 55. M. E. Goodsite and M. S. Johnson Editors "Applications of Quantum Chemistry to the Atmosphere" Elsevier Pub., Amsterdam (2008)

A. Galano “Relative Antioxidant Efficiency of a Large Series of Carotenoids: Electron Transfer Reactions” J. Phys. Chem.B 2007, 111, 12898-12908. Abstract  HTML   PDF (313k)

Pablo D. Astudilloa, Annia Galano, Felipe J. González “Radical grafting of carbon surfaces with alkylic groups by mediated oxidation of carboxylates” J. Electroanal. Chem. 2007, 610, 137-146. Abstract  HTML  PDF

A. Galano, J. Raúl Alvarez-Idaboy, Annik Vivier-Bunge, “Non-alkane behavior of cyclopropane and its derivatives: Characterization of unconventional hydrogen bond interactions” Theor. Chem. Acc. 2007, special issue in memoriam of Prof. Serafín Fraga, 118, 597–606 (invited paper) Abstract  PDF  HTML

A. Cruz, A. Galano, "On the Mechanism of Gas Phase Reaction of C1-C3 Aliphatic Thiols + OH Radicals", J. Phys. Chem. A 2007, 111, 1523. Abstract  HTML  PDF  Supp Info

A. Galano, “Influence of Silicon defects on the adsorption of thiophene on Polycyclic Aromatic Hydrocarbons: A theoretical study using Coronene as the simplest model.” J. Phys. Chem. A 2007, 111, 1677. Abstract  HTML  PDF

 A. Galano, “On the mechanism of OH radical reactions with HCN and CH3CN: OH regeneration in the presence of O2”, J. Phys. Chem. A 2007, 111, 5086. Abstract  HTML  PDF

A. Cruz-Torres, A. Galano, J. R. Alvarez-Idaboy, “Kinetics and Mechanism of b-Alanine + OH Gas Phase Reaction: A Quantum Mechanical Approach”, PhysChemCemPhys. 2006, 8, 285. Abstract  PDF  HTML  

A. Galano, A. Cruz-Torres, J. R. Alvarez-Idaboy, “Isopropylcyclopropane + OH gas phase reaction: A Quantum Chemistry + CVT/SCT Approach”, J. Phys. Chem. A 2006, 110, 1917. Abstract  HTML  PDF 

A. Galano, J. R. Alvarez-Idaboy, A. Vivier-Bunge, “Computational quantum chemistry, a reliable tool in the understanding of gas phase reactions”
J. Chem. Ed. 2006, 83, 481. Abstract  PDF

A. Galano, J. R. Alvarez-Idaboy, “A new approach to Counterpoise correction to BSSE”,
J. Comput. Chem. 2006, 27, 1203-1210. Abstract  HTML  PDF

A. Galano, “Theoretical study on the reaction of tropospheric interest: hydroxyacetone + OH. Mechanism and Kinetics”, J. Phys. Chem. A. 2006, 110; 9153. Abstract  HTML  PDF

A. Galano, “On the influence of diameter and length on the properties of armchair Single-Walled Carbon Nanotubes: A theoretical chemistry approach”,  Chem. Phys. 2006, 327, 159.  Abstract  PDF

Uc, V. H.; Alvarez-Idaboy, J. R.; Galano, A.; Garcia-Cruz, I.; Vivier-Bunge, A. "Theoretical Determination of the Rate Constant for OH Hydrogen Abstraction from Toluene".  J. Phys. Chem. A 2006, 110, 10155. Abstract  HTML  PDF  Supp Info

G. Bravo-Pérez, J. R. Alvarez-Idaboy, A. Galano, A. Cruz-Torres, “Quantum Chemical and Conventional TST Calculations of Rate Constants for the OH + Alkane Reaction” Chemical Physics.2005, 310, 213.  Abstract  PDF 

A. Galano, J. R. Alvarez-Idaboy “Ab initio Study of b-Alanine Conformers in Gas Phase” ARKIVOC, Issue in Honor of Prof. Eusebio Juaristi, 2005, vi, 7.  Full Paper 

Martín A. Iglesias-Arteaga, Gustavo A. Velázquez-Huerta, José M. Méndez-Stivalet, Annia Galano, J. Raúl Alvarez-Idaboy, “The Baeyer-Villiger reaction of 23-oxosapogenins” ARKIVOC, Issue in Honor of Prof. Eusebio Juaristi, 2005, vi, 109.  Full Paper 

Z. Y. Zhoua, A. F. Jalbout, A. Galano, M. Solimannejad and H. Abou-Rachid, “The FC(O)OF torsional potential: thermochemistry and kinetics” J. Molec. Structure 2005, 737, 83. Abstract  HTML  PDF 

M. Francisco-Márquez, J. R. Alvarez-Idaboy, A. Galano, A. Vivier-Bunge, “A Possible Mechanism for Furan Formation in the Tropospheric Oxidation of Dienes”, Env. Sci. Technol. 2005, 39, 8797. Abstract  HTML  PDF  Supp Info

M. Francisco-Márquez, J. R. Alvarez-Idaboy, A. Galano, Annik Vivier-Bunge, “On the Role of s-cis Conformers in the Reaction of Dienes with OH Radicals”,  Phys. Chem. Chem. Phys. 2004, 6, 2237. Abstract  PDF  HTML

J. R. Alvarez-Idaboy, A. Cruz-Torres, A. Galano, Ma. E. Ruiz-Santoyo, “Structure-Reactivity Relationship in Ketones + OH Reactions: A Quantum Mechanical and TST Approach”, J. Phys. Chem. A.
2004, 108, 2740. Abstract  HTML  PDF 

A. Galano, J. R. Alvarez-Idaboy, E. Agacino-Valdés, Ma. E. Ruiz-Santoyo, “Quantum Mechanical Approach to Isoleucine + OH Gas Phase Reaction. Mechanism and Kinetics”, J. Mol. Struct. (Theochem)
2004, 676, 97. Abstract  HTML  PDF

A. F. Jalbout, C. M. Chang, A. Galano, M. Solimannejad. “Rate coefficient and mechanism of the gas phase OPSCN -> OPNCS isomerization: a density functional theory study”, J. Mol. Struct. (Theochem)
2004, 676, 127. Abstract  HTML  PDF 

R. Cartas-Rosado, J. R. Alvarez-Idaboy, A. Galano, A. Vivier-Bunge, “A theoretical Investigation of the Mechanism of the NO3 Addition to Alkenes”, J. Mol. Struct. (Theochem)
2004, 684, 51. Abstract  HTML  PDF  

A. Galano, J. R. Alvarez-Idaboy, M. E. Ruiz-Santoyo, A. Vivier-Bunge, “Mechanism and kinetics of the reaction of OH radicals with glyoxal and methylglyoxal: A Quantum Chemistry + CVT/SCT approach”. ChemPhysChem.
2004, 5, 1379. Abstract  HTML  PDF 

A., Galano, J. R. Alvarez-Idaboy, E. Agacino-Valdes, M. E. Ruiz-Santoyo, “Quantum mechanical approach to Leucine + OH gas phase reaction. Mechanism and kinetics” Rev. Soc. Mex. Quim2004, 48, 139. Full Paper 

A. Galano, J. R. Alvarez-Idaboy, Ma. E. Ruiz-Santoyo, A. Vivier-Bunge, “Glycolaldehide + OH gas phase reaction: A Quantum Chemistry + CVT/SCT Approach”,
J. Phys. Chem. A
2004. 109, 169. Abstract  HTML  PDF 

M. Francisco-Marquez, J. R. Alvarez-Idaboy, A Galano, A. Vivier-Bunge, “Theoretical Study of the Initial Reaction between OH and Isoprene”, Phys. Chem. Chem. Phys. 2003, 5, 1392. Abstract  PDF  HTML

A. Galano, J. R. Alvarez-Idaboy, A. Cruz-Torres, M. E. Ruiz-Santoyo, “Kinetics and Mechanism of the Gas Phase OH Hydrogen abstraction Reaction from Methionine: A Quantum Mechanical Approach”. Int. J. Chem. Kinet.
2003, 35, 212. Abstract  HTML  PDF 

A. Galano, J. R. Alvarez-Idaboy, A. Cruz-Torres, Ma. Esther Ruiz-Santoyo, “Rate coefficients and mechanism of the gas phase OH hydrogen abstraction reaction from serine: a quantum mechanical approach”, J. Mol. Struct. (Theochem)
2003, 629, 165. Abstract  HTML  PDF 

A. Galano, J. R. Alvarez-Idaboy, G. Bravo-Perez, Ma. E. Ruiz-Santoyo, “Gas Phase Reactions of C1-C4 Alcohols with the OH radical: A Quantum Mechanical Approach”. Phys. Chem. Chem. Phys. 2002, 4, 4648. Abstract, PDF, HTML

A. Galano, J. R. Alvarez-Idaboy, M. E. Ruiz-Santoyo, A. Vivier-Bunge, “Rate Coefficient and Mechanism of the Gas Phase OH Hydrogen Abstraction Reaction from Formic Acid”, J. Phys. Chem. A
2002, 106, 9520. Abstract  HTML  PDF 

A. Galano, J. R. Alvarez-Idaboy, G. Bravo-Perez, Ma. E. Ruiz-Santoyo, “Mechanism and Rate Coefficients of the Gas Phase OH Hydrogen Abstraction Reaction from Asparagine: A Quantum Mechanical Approach”, J. Mol. Struct. (Theochem)
2002, 617, 77. Abstract  HTML  PDF 

A. Galano Jiménez, L. A. Montero Cabrera, R. Álvarez Idaboy, Addis Londaitsbehere Trujillo, J. C. García Piñeiro, “Un Modelo Computacional de Reacciones Relacionadas con el Mal de Alzheimer en el Nivel Molecular” Rev. Cubana Invest. Biomed.
2002, 21, 54. Abstract , text (spanish) , pdf (spanish) 

A. Galano, J. R. Alvarez-Idaboy, L A. Montero, A. Vivier-Bunge, “OH Hydrogen Abstraction Reactions from Alanine and Glycine:A Quantum Mechanical Approach”. J. Comput. Chem. 2001, 22, 1138. Abstract  HTML  PDF 

J. R. Alvarez-Idaboy, A. Galano, G. Bravo-Pérez, Ma. Esther Ruiz-Santoyo, “Rate Constants Dependence on the Size of Aldehydes in the NO3 + Aldehydes Reaction. An explanation via Quantum Chemical Calculations and CTST”.  J. Am. Chem. Soc. 2001, 123, 8387. Abstract  HTML  PDF 

P. Frenández-Serra, V. Botella, Y. G. Smeyers, A. Galano, G. Delgado-Barrio “Ground State and some excited states of Li2 by half-projected Hartree-Fock method”, Int. J. Quantum Chem. 1995, 54, 305. Abstract  PDF 

G. Delgado-Barrio, A. Galano, P. Fernández-Serra, Y. G. Smeyers “Spectroscopic Study of diatoms by using HPHF model: aplication to the ground state of the hydrogen flouride molecule”, Anales de Física 1994, 90, 152.

P. Fernández-Serra, Y. G. Smeyers, A. Galano, G. Delgado-Barrio “A spectroscopic study of ground state of Litium hydride with HPHF model”. J. Molec. Struct. (Teochem) 1993, 287, 107. Abstract  PDF 

J.R. Alvarez-Idaboy, A. Galano, L.A. Montero, R. Martínez, “Theoretical Approach to Cationic Polymerization of Alkenylfurans. II. Ab initio and Semiempirical Study of Relevant Steps in the Reaction Mechanism”, J. Polym. Science, Part A: Polymer Chemistry 1992, 30, 2497. Abstract  PDF

 

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