JUAN RAUL ALVAREZ IDABOY

Entidad: Facultad de Química, UNAM

Telefono: 5622 3776, ext 106,

Email: jidaboy@unam.mx

Url:

Departamento: --

Línea de trabajo y/o generación del conocimiento: Química Teórica y Computacional


Tesis Doctorado

TesisAlumno
ESTUDIO TEORICO DE MECANISMOS DE REACCION Y CINETICA DE ANTIOXIDANTES SULFURADOS FRENTE A RSDICALES OXIGENADOS ROMINA CASTAÑEDA ARRIAGA
<p>Estudio teórico de la reparación del daño causado por radicales libres de modelos proteícos y lipídicos y sus mecanismos de acción</p> LEONARDO MUÑOZ RUGELES
ESTUDIOS TEORICOS DE BLANCOS BIOLOGICOS POR DIOXIDO DE CLORO Y SU COMPARACION CON OTROS RADICALES LIBRES ANTONIO ROMERO SILVA
ESTUDIO TEORICO DEL DAÑO CAUSADO POR RADICALES LIBRES EN MODELOS DE PROTEINAS Y EL MECANISMO DE ACCION RAUL SOTO MEEZS
ESTUDIO TEORICO DE LA OXIDACION ATMOSFERICA DE COMPUESTOS OXIGENADOS INSATURADOS AIDEE VEGA RODRIGUEZ

Tesis Maestría

TesisAlumno
UNIDAD REPARADORA Y PRO-ÓXIDANTE DE TIOFENOLES MIRZAM ANDREA CARREON GONZALEZ
ESTUDIO TEORICO DE LA ENERGIA DE ACTIVACION NEGATIVA EN LA ADICION DE RADICAL OH A ALQUENOS. Promedio final: 9.70 ROMINA CASTAÑEDA ARRIAGA
ESTUDIO MECANO-CUANTICO DEL MECANISMO Y CINETICA DE LA REACCION ENTRE EL DHA Y EL RADICAL PEROXILO. Promedio Final: 9.25 ELI ANTONIO ALONSO FERNANDEZ DE GORTARI
Estudio mecánico-cuántico de la reacción de alcoholes insaturados con el radical hidroxilo: mecanismo y cinética. Promedio Final: 9.89 AYAX PEREZ GALLEGOS

Publicaciones:

  • Assessing the Protective Activity of a Recently Discovered Phenolic Compound against Oxidative Stress Using Computational Chemistry
    Villuendas-Rey, Yenny,Alvarez-Idaboy, Juan Raul,Galano, Annia
    Journal of Chemical Information and Modeling 2015, (55), 12, 2552 - 2561
    doi: 10.1021/acs.jcim.5b00513
  • Modelling the chemical repair of protein carbon-centered radicals formed via oxidative damage with dihydrolipoic acid
    Castañeda-Arriaga, Romina,Mora-Diez, Nelaine,Alvarez-Idaboy, J. Raul
    RSC Adv. 2015, (5), 117, 96714 - 96719
    doi: 10.1039/c5ra20618a
  • A proton–electron sequential transfer mechanism: theoretical evidence about its biological relevance
    Muñoz-Rugeles, L.,Alvarez-Idaboy, J. R.
    Phys. Chem. Chem. Phys. 2015, (17), 43, 28525 - 28528
    doi: 10.1039/c5cp05090a
  • Free-radical scavenging by tryptophan and its metabolites through electron transfer based processes
    Pérez-González, Adriana,Alvarez-Idaboy, Juan Raúl,Galano, Annia
    Journal of Molecular Modeling 2015, (21), 8, -
    doi: 10.1007/s00894-015-2758-2
  • Site reactivity in the free radicals induced damage to leucine residues: a theoretical study
    Medina, M. E.,Galano, A.,Alvarez-Idaboy, J. R.
    Phys. Chem. Chem. Phys. 2015, (17), 7, 4970 - 4976
    doi: 10.1039/c4cp05688d
  • Theoretical study on the peroxyl radicals scavenging activity of esculetin and its regeneration in aqueous solution
    Medina, Manuel E.,Galano, Annia,Alvarez-Idaboy, Juan Raúl
    Phys. Chem. Chem. Phys. 2014, (16), 3, 1197 - 1207
    doi: 10.1039/c3cp53889c
  • An experimental and theoretical study of the kinetics and mechanism of hydroxyl radical reaction with 2-aminopyrimidine
    Prasanthkumar, Kavanal P.,Alvarez-Idaboy, Juan Raul
    RSC Advances 2014, (4), 27, 14157 -
    doi: 10.1039/c4ra00811a
  • A theoretical and experimental evaluation of imidazolium-based ionic liquids for atmospheric mercury capture
    Iuga, Cristina,Solís, Corina,Alvarez-Idaboy, J. Raúl,Martínez, Miguel Ángel,Mondragón, Ma. Antonieta
    Journal of Molecular Modeling 2014, (20), 5, -
    doi: 10.1007/s00894-014-2186-8
  • Dihydroxybenzoic acids as free radical scavengers: mechanisms, kinetics, and trends in activity
    Pérez-González, Adriana,Galano, Annia,Alvarez-Idaboy, Juan Raúl
    New J. Chem. 2014, (38), 6, 2639 -
    doi: 10.1039/c4nj00071d
  • Tryptophan: antioxidant or target of oxidative stress? A quantum chemistry elucidation
    Perez-Gonzalez, A.,Muñoz-Rugeles, L.,Alvarez-Idaboy, J. R.
    RSC Adv. 2014, (4), 99, 56128 - 56131
    doi: 10.1039/c4ra11635f
  • Antioxidant activity of fraxetin and its regeneration in aqueous media. A density functional theory study
    Medina, M. E.,Iuga, C.,Álvarez-Idaboy, J. R.
    RSC Adv. 2014, (4), 95, 52920 - 52932
    doi: 10.1039/c4ra08394f
  • Antioxidant activity of selected natural polyphenolic compounds from soybean via peroxyl radical scavenging
    Caicedo, Carolina,Iuga, Cristina,Castañeda-Arriaga, Romina,Alvarez-Idaboy, J. Raúl
    RSC Advances 2014, (4), 73, 38918 -
    doi: 10.1039/c4ra04758c
  • Kinetics of radical-molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods
    Galano, Annia,Alvarez-Idaboy, Juan Raúl
    J. Comput. Chem. 2014, (35), 28, 2019 - 2026
    doi: 10.1002/jcc.23715
  • Lipoic Acid and Dihydrolipoic Acid. A Comprehensive Theoretical Study of Their Antioxidant Activity Supported by Available Experimental Kinetic Data
    Castañeda-Arriaga, Romina,Alvarez-Idaboy, J. Raul
    Journal of Chemical Information and Modeling 2014, (54), 6, 1642 - 1652
    doi: 10.1021/ci500213p
  • Piceatannol, a better peroxyl radical scavenger than resveratrol
    Cordova-Gomez, Moises,Galano, Annia,Alvarez-Idaboy, J. Raúl
    RSC Advances 2013, (3), 43, 20209 -
    doi: 10.1039/c3ra42923g
  • A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity
    Galano, Annia,Alvarez-Idaboy, Juan Raúl
    J. Comput. Chem. 2013, (34), 28, 2430 - 2445
    doi: 10.1002/jcc.23409
  • Antioxidant activity of propyl gallate in aqueous and lipid media: a theoretical study
    Medina, Manuel E.,Iuga, Cristina,Alvarez-Idaboy, Juan Raúl
    Phys. Chem. Chem. Phys. 2013, (15), 31, 13137 -
    doi: 10.1039/c3cp51644j
  • Theoretical study of the complex reaction of O(3P) with trans-2-butene
    Messaoudi, Boulanouar,Mekelleche, Sidi Mohamed,Alvarez-Idaboy, J. Raul,Mora-Diez, Nelaine
    Theor Chem Acc 2013, (132), 6, 1 - 7
    doi: 10.1007/s00214-013-1366-4
  • Acid-Catalyzed Nucleophilic Additions to Carbonyl Groups: Is the Accepted Mechanism the Rule or an Exception?
    Reyes, Lino,Nicolás-Vázquez, Inés,Mora-Diez, Nelaine,Alvarez-Idaboy, J. Raul
    The Journal of Organic Chemistry 2013, (78), 6, 2327 - 2335
    doi: 10.1021/jo302390r
  • Influence of the methylation degree on the rate constants of the • OH addition to alkenes and its temperature dependence
    Castañeda-Arriaga, Romina,Alvarez-Idaboy, J. Raul
    Int. J. Quantum Chem. 2012, (112), 21, 3479 - 3483
    doi: 10.1002/qua.24109
  • Mechanisms and rate constants in the atmospheric oxidation of saturated esters by hydroxyl radicals: A theoretical study
    Cordova-Gomez, Moises,Iuga, Cristina,Alvarez-Idaboy, Juan Raúl
    Int. J. Quantum Chem. 2012, (112), 21, 3508 - 3515
    doi: 10.1002/qua.24149
  • Tropospheric degradation of ethylene glycol monovinyl and divinyl ethers: A mechanistic and kinetic study
    de la Luz, Alexander Pérez,Iuga, Cristina,Alvarez-Idaboy, Juan Raúl,Ortíz, Elba,Vivier-Bunge, Annik
    Int. J. Quantum Chem. 2012, (112), 21, 3525 - 3534
    doi: 10.1002/qua.24159
  • On the evolution of one-electron-oxidized deoxyguanosine in damaged DNA under physiological conditions: a DFT and ONIOM study on proton transfer and equilibrium
    Galano, Annia,Alvarez-Idaboy, Juan Raúl
    Phys. Chem. Chem. Phys. 2012, (14), 36, 12476 -
    doi: 10.1039/c2cp40799j
  • On the peroxyl scavenging activity of hydroxycinnamic acid derivatives: mechanisms, kinetics, and importance of the acid–base equilibrium
    León-Carmona, Jorge Rafael,Alvarez-Idaboy, Juan Raúl,Galano, Annia
    Phys. Chem. Chem. Phys. 2012, (14), 36, 12534 -
    doi: 10.1039/c2cp40651a
  • On the Chemical Repair of DNA Radicals by Glutathione: Hydrogen vs Electron Transfer
    Alvarez-Idaboy, Juan Raúl,Galano, Annia
    The Journal of Physical Chemistry B 2012, (116), 31, 9316 - 9325
    doi: 10.1021/jp303116n
  • Rate constants and branching ratios in the oxidation of aliphatic aldehydes by OH radicals under atmospheric conditions
    Castañeda, R.a, Iuga, C., Raúl Álvarez-Idaboy, J., Vivier-Bunge, A.
    Journal of the Mexican Chemical Society 2012, (56), 3, 316 - 324
    doi:
  • Influence of the Environment on the Protective Effects of Guaiacol Derivatives against Oxidative Stress: Mechanisms, Kinetics, and Relative Antioxidant Activity
    Galano, Annia,León-Carmona, Jorge Rafael,Alvarez-Idaboy, Juan Raúl
    The Journal of Physical Chemistry B 2012, (116), 24, 7129 - 7137
    doi: 10.1021/jp302810w
  • Antioxidant Activity of trans -Resveratrol toward Hydroxyl and Hydroperoxyl Radicals: A Quantum Chemical and Computational Kinetics Study
    Iuga, Cristina,Alvarez-Idaboy, J. Raúl,Russo, Nino
    The Journal of Organic Chemistry 2012, (77), 8, 3868 - 3877
    doi: 10.1021/jo3002134
  • Molecular Description of Indigo Oxidation Mechanisms Initiated by OH and OOH Radicals
    Iuga, Cristina,Ortíz, Elba,Alvarez-Idaboy, J. Raul,Vivier-Bunge, Annik
    J. Phys. Chem. A 2012, (116), 14, 3643 - 3651
    doi: 10.1021/jp211493k
  • A quantum chemical study on the free radical scavenging activity of tyrosol and hydroxytyrosol
    Galano, Annia,Alvarez-Idaboy, Juan Raúl,Francisco-Márquez, Misaela,Medina, Manuel E.
    Theor Chem Acc 2012, (131), 3, 1 - 12
    doi: 10.1007/s00214-012-1173-3
  • Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals
    Galano, Annia,Alvarez-Idaboy, J. Raúl
    RSC Advances 2011, (1), 9, 1763 -
    doi: 10.1039/c1ra00474c
  • Role of Allyl Group in the Hydroxyl and Peroxyl Radical Scavenging Activity of S -Allylcysteine
    Maldonado, Perla D.,Alvarez-Idaboy, J. Raúl,Aguilar-González, Adriana,Lira-Rocha, Alfonso,Jung-Cook,
    The Journal of Physical Chemistry B 2011, (115), 45, 13408 - 13417
    doi: 10.1021/jp208233f
  • Physicochemical Insights on the Free Radical Scavenging Activity of Sesamol: Importance of the Acid/Base Equilibrium
    Galano, Annia,Alvarez-Idaboy, Juan Raúl,Francisco-Márquez, Misaela
    The Journal of Physical Chemistry B 2011, (115), 44, 13101 - 13109
    doi: 10.1021/jp208315k
  • ROS Initiated Oxidation of Dopamine under Oxidative Stress Conditions in Aqueous and Lipidic Environments
    Iuga, Cristina,Alvarez-Idaboy, J. Raul,Vivier-Bunge, Annik
    The Journal of Physical Chemistry B 2011, (115), 42, 12234 - 12246
    doi: 10.1021/jp206347u
  • Canolol: A Promising Chemical Agent against Oxidative Stress
    Galano, Annia,Francisco-Márquez, Misaela,Alvarez-Idaboy, Juan R.
    The Journal of Physical Chemistry B 2011, (115), 26, 8590 - 8596
    doi: 10.1021/jp2022105
  • Mechanism and kinetics studies on the antioxidant activity of sinapinic acid
    Galano, Annia,Francisco-Márquez, Misaela,Alvarez-Idaboy, J. Raúl
    Phys. Chem. Chem. Phys. 2011, (13), 23, 11199 -
    doi: 10.1039/c1cp20722a
  • Mechanism and Kinetics of the Water-Assisted Formic Acid + OH Reaction under Tropospheric Conditions
    Iuga, Cristina,Alvarez-Idaboy, J. Raul,Vivier-Bunge, Annik
    J. Phys. Chem. A 2011, (115), 20, 5138 - 5146
    doi: 10.1021/jp201517p
  • On the possible catalytic role of a single water molecule in the acetone + OH gas phase reaction: a theoretical pseudo-second-order kinetics study
    Iuga, Cristina,Alvarez-Idaboy, J. Raul,Vivier-Bunge, Annik
    Theor Chem Acc 2011, (129), 2, 209 - 217
    doi: 10.1007/s00214-011-0921-0
  • Hydrolysis of a Chlorambucil Analogue. A DFT study.
    Pineda, F. P.,Ortega-Castro, J.,Alvarez-Idaboy, J. R.,Frau, J.,Cabrera, B. M.,Ramírez, J. C.,Donoso
    J. Phys. Chem. A 2011, (115), 11, 2359 - 2366
    doi: 10.1021/jp111202p
  • Single water-molecule catalysis in the glyoxal+OH reaction under tropospheric conditions: Fact or fiction? A quantum chemistry and pseudo-second order computational kinetic study
    Iuga, Cristina,Alvarez-Idaboy, J. Raul,Vivier-Bunge, Annik
    Chemical Physics Letters 2010, (501), 1-3, 11 - 15
    doi: 10.1016/j.cplett.2010.10.043
  • Can a Single Water Molecule Really Catalyze the Acetaldehyde + OH Reaction in Tropospheric Conditions?
    Iuga, Cristina,Alvarez-Idaboy, J. Raul,Reyes, Lino,Vivier-Bunge, Annik
    J. Phys. Chem. Lett. 2010, (1), 20, 3112 - 3115
    doi: 10.1021/jz101218n
  • Computational and experimental study of the interactions between ionic liquids and volatile organic compounds
    Gao, Tingting,Andino, Jean M.,Alvarez-Idaboy, J. Raul
    Phys. Chem. Chem. Phys. 2010, (12), 33, 9830 -
    doi: 10.1039/c003386c
  • Mechanism and Branching Ratios of Hydroxy Ethers + • OH Gas phase Reactions: Relevance of H Bond Interactions
    Galano, Annia,Raul Alvarez-Idaboy, J.,Francisco-Márquez, Misaela
    J. Phys. Chem. A 2010, (114), 28, 7525 - 7536
    doi: 10.1021/jp103575f

Patentes: