Juan Raúl Álvarez Idaboy

Departamento: Física y Química Teórica
   Perfil: Profesores-Investigadores
 Nombramiento: Profesor de Carrera Titular
   Ubicación: Edificio B, Posgrado Mezanine
  Teléfono: 55 56223776 / 55 56223767

  Correo: jidaboy@unam.mx


 
 
Grados académicos
 
 

Doctor en Ciencias Quimicas, Química Cuántica, Facultad de Química, universidad de la Habana 1991.


Docencia en Licenciatura y Posgrado
 
 

[L] Estructura de la Materia
[L] Quimica Cuantica 1
[Pg] Química Computacional Aplicada


Áreas de investigación
 
 
  • Antioxidantes
  • Mecanismos de reacción
  • Constantes de velocidad
  • Teoría del estado de transición
  • Especies reactivas de oxígeno

Línea de Investigación
 
 
  • Estudio de reacciones químicas de interés biológico relacionadas con el estrés oxidativo
  • Estudio de mecanismos de reacciones orgánicas en solución

Los métodos de la Química Computacional son una importante herramienta en el estudio de mecanismos de reacciones químicas Trabajamos es tres temáticas dentro de la reactividad química. 1) Estudio de mecanismos y constantes de velocidad de reacciones de interés atmosférico 2) Estudio de mecanismos de reacciones orgánicas en solución. 3) Estudio de reacciones químicas de interés biológico.


Posgrados en los que participa
 
 
  • Posgrado en Ciencias Químicas

Premios y distinciones
 
 
  • Investigador Nacional SNI nivel 3

Publicaciones recientes
 
 

Prasanthkumar, K. P., Rayaroth, M. P., & Alvarez-Idaboy, J. R. (2020). Insights into the Mechanism of Hydroxyl Radical Mediated Oxidations of 2-Aminopurine: A Computational and Sonochemical Product Analysis Study. Journal of Physical Chemistry B, 124(29), 6245-6256.
DOI:10.1021/acs.jpcb.0c03974

Castañeda-Arriaga, R., Marino, T., Russo, N., Alvarez-Idaboy, J. R., & Galano, A. (2020). Chalcogen effects on the primary antioxidant activity of chrysin and quercetin. New Journal of Chemistry, 44(21), 9073-9082.
DOI:10.1039/d0nj01795g

Romeo, I., Parise, A., Galano, A., Russo, N., Alvarez-Idaboy, J. R., & Marin, T. (2020). The antioxidant capability of higenamine: Insights from theory. Antioxidants, 9(5).
DOI:10.3390/antiox9050358

Muñoz-Rugeles, L.*, Galano, A., & Alvarez-Idaboy, J. R.* (2020). Chemical repair mechanisms of damaged tyrosyl and tryptophanyl residues in proteins by the superoxide radical anion. New Journal of Chemistry, 44(6), 2505-2513.
DOI:10.1039/C9NJ04998C

Castro-González, L. M., Alvarez-Idaboy, J. R., & Galano, A. (2020). Computationally designed sesamol derivatives proposed as potent antioxidants. ACS Omega.
DOI:10.1021/acsomega.0c00898

Reyes, L., Nicolás-Vázquez, M. I., Iuga, C., & Alvarez-Idaboy, J. R. (2019). Reinvestigation of acetophenones oxidation by performic acid in formic acid. Journal of Physical Chemistry A, 123(10), 1968-1972.
DOI:10.1021/acs.jpca.8b11256

Pérez-González, A., Castañeda-Arriaga, R., Álvarez-Idaboy, J. R., Reiter, R. J., & Galano, A. (2019). Melatonin and its metabolites as chemical agents capable of directly repairing oxidized DNA. Journal of Pineal Research, 66(2).
DOI:10.1111/jpi.12539

Galano, A., & Alvarez-Idaboy, J. R. (2019). Computational strategies for predicting free radical scavengers' protection against oxidative stress: Where are we and what might follow? International Journal of Quantum Chemistry, 119(2).
DOI:10.1002/qua.25665

Carreon-Gonzalez, M., Vivier-Bunge, A., & Alvarez-Idaboy, J. R. (2019). Thiophenols, promising scavengers of peroxyl radicals: Mechanisms and kinetics. Journal of Computational Chemistry, 40(24), 2103-2110.
DOI:10.1002/jcc.25862

Ramis, R., Casasnovas, R., Ortega-Castro, J., Frau, J., Álvarez-Idaboy, J. R., & Mora-Diez, N. (2019). Modelling the repair of carbon-centred protein radicals by the antioxidants glutathione and trolox. New Journal of Chemistry, 43(5), 2085-2097.
DOI:10.1039/c8nj05544k

Romero-Silva, A., Mora-Diez, N., & Alvarez-Idaboy, J. R. (2018). Theoretical study of the reactivity and selectivity of various free radicals with cysteine residues. ACS Omega, 3(12), 16519-16528.
DOI:10.1021/acsomega.8b02964

Marino, T., Galano, A., Mazzone, G., Russo, N., & Alvarez-Idaboy, J. R. (2018). Chemical insights into the antioxidant mechanisms of alkylseleno and alkyltelluro phenols: Periodic relatives behaving differently. Chemistry – A European Journal, 24(34), 8686-8691.
DOI:10.1002/chem.201800913

Castaneda-Arriaga, R., Pérez-González, A., Reina, M., Alvarez-Idaboy, J. R., & Galano, A. (2018). Comprehensive investigation of the antioxidant and pro-oxidant effects of phenolic compounds: A double-edged sword in the context of oxidative stress? Journal of Physical Chemistry B, 122(23), 6198-6214.
DOI:10.1021/acs.jpcb.8b03500

Castañeda-Arriaga, R., Pérez-González, A., Alvarez-Idaboy, J. R., & Galano, A. (2018). Role of purines on the copper-catalyzed oxidative damage in biological systems: Protection versus promotion. International Journal of Quantum Chemistry, 118(9).
DOI:10.1002/qua.25527

Ardjani, T. E. A., & Alvarez-Idaboy, J. R. (2018). Radical scavenging activity of ascorbic acid analogs: Kinetics and mechanisms. Theoretical Chemistry Accounts, 137(5)
DOI:10.1007/s00214-018-2252-x

Gasque, L., Álvarez-Idaboy, J. R., Flores-Álamo, M., Guzmán-Méndez, Ó., & Campos-Cerón, J. M. (2018). Theoretical and experimental study demonstrates kinetic control in chalcone-flavanone transformation of naphthalene derivatives. Journal of Molecular Structure, 1157, 631-637.
DOI:10.1016/j.molstruc.2017.12.078

Munõz-Rugeles, L., Galano, A., & Alvarez-Idaboy, J. R. (2018). The other side of the superoxide radical anion: Its ability to chemically repair DNA oxidized sites. Chemical Communications, 54(97), 13710-13713.
DOI:10.1039/c8cc07834c

Pérez-González, A., Castañeda-Arriaga, R., Verastegui, B., Carreón-González, M., Alvarez-Idaboy, J. R., & Galano, A. (2018). Estimation of empirically fitted parameters for calculating pK a values of thiols in a fast and reliable way. Theoretical Chemistry Accounts, 137(1).
DOI:10.1007/s00214-017-2179-7

Vilanova, B., Fernández, D., Casasnovas, R., Pomar, A. M., Alvarez-Idaboy, J. R., Hernández-Haro, N., Grand, A., Adrover, M., Donoso, J., Frau, J., Muñoz, F., & Ortega-Castro, J. (2017). Formation mechanism of glyoxal-DNA adduct, a DNA cross-link precursor. International Journal of Biological Macromolecules, 98, 664-675.
DOI:10.1016/j.ijbiomac.2017.01.140

Muñoz-Rugeles, L., Galano, A., & Alvarez-Idaboy, J. R. (2017). The role of acid-base equilibria in formal hydrogen transfer reactions: Tryptophan radical repair by uric acid as a paradigmatic case. Physical Chemistry Chemical Physics, 19(23), 15296-15309.
DOI:10.1039/c7cp01557g

Pérez-González, A., Alvarez-Idaboy, J. R., & Galano, A. (2017). Dual antioxidant/pro-oxidant behavior of the tryptophan metabolite 3-hydroxyanthranilic acid: A theoretical investigation of reaction mechanisms and kinetics. New Journal of Chemistry, 41(10), 3829-3845.
DOI:10.1039/c6nj03980d

Muñoz-Rugeles, L., Galano, A., & Alvarez-Idaboy, J. R. (2017). Non-covalent π-π stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions. Physical Chemistry Chemical Physics, 19(10), 6969-6972.
DOI:10.1039/c6cp08610a

Pérez-González, A., Galano, A., Alvarez-Idaboy, J. R., Tan, D. X., & Reiter, R. J. (2017). Radical-trapping and preventive antioxidant effects of 2-hydroxymelatonin and 4-hydroxymelatonin: Contributions to the melatonin protection against oxidative stress. Biochimica Et Biophysica Acta – General Subjects, 1861(9), 2206-2217.
DOI:10.1016/j.bbagen.2017.06.016

Galano, A., Pérez-González, A., Castañeda-Arriaga, R., Muñoz-Rugeles, L., Mendoza-Sarmiento, G., Romero-Silva, A., Ibarra-Escutia, A., Rebollar-Zepeda, A. M., León-Carmona, J. R., Hernández-Olivares, M. A., & Alvarez-Idaboy, J. R. (2016). Empirically fitted parameters for calculating pK a values with small deviations from experiments using a simple computational strategy. Journal of Chemical Information and Modeling, 56(9), 1714-1724.
DOI:10.1021/acs.jcim.6b00310

Castañeda-Arriaga, R., Domínguez-Castro, A., Lee, J., Alvarez-Idaboy, J. R., & Mora-Diez, N. (2016). Chemical repair of protein carbon-centred radicals: Long-distance dynamic factors. Canadian Journal of Chemistry, 94(12), 1119-1126.
DOI:10.1139/cjc-2016-0230

Galano, A., Muñoz-Rugeles, L., Alvarez-Idaboy, J. R., Bao, J. L., & Truhlar, D. G. (2016). Hydrogen abstraction reactions from phenolic compounds by peroxyl radicals: Multireference character and density functional theory rate constants. Journal of Physical Chemistry A, 120(27), 4634-4642.
DOI:10.1021/acs.jpca.5b07662

Pérez-González, A., Muñoz-Rugeles, L., & Alvarez-Idaboy, J. R. (2016). Tryptophan versus nitric oxide, nitrogen dioxide and carbonate radicals: Differences in reactivity and implications for oxidative damage to proteins. Theoretical Chemistry Accounts, 135(6).
DOI:10.1007/s00214-016-1913-x

Mazzone, G., Galano, A., Alvarez-Idaboy, J. R., & Russo, N. (2016). Coumarin-chalcone hybrids as peroxyl radical scavengers: Kinetics and mechanisms. Journal of Chemical Information and Modeling, 56(4), 662-670.
DOI:10.1021/acs.jcim.6b00006

Galano, A., Mazzone, G., Alvarez-Diduk, R., Marino, T., Alvarez-Idaboy, J. R., & Russo, N. (2016). Food antioxidants: Chemical insights at the molecular level. Annual Review of Food Science and Technology, 7, 335-352.
DOI:10.1146/annurev-food-041715-033206

Castañeda-Arriaga, R., Vivier-Bunge, A., & Raul Alvarez-Idaboy, J. (2016). Primary antioxidant and metal-binding effects of tiopronin: A theoretical investigation of its action mechanism. Computational and Theoretical Chemistry, 1077, 48-57.
DOI:10.1016/j.comptc.2015.10.012

Castañeda-Arriaga, R., Alvarez-Idaboy, J. R., & Mora-Diez, N. (2016). Theoretical study of copper complexes with lipoic and dihydrolipoic acids. RSC Advances, 6(109), 107924-107932.
DOI:10.1039/c6ra23553k

León-Carmona, J. R., Galano, A., & Alvarez-Idaboy, J. R. (2016). Deprotonation routes of anthocyanidins in aqueous solution, p: K a values, and speciation under physiological conditions. RSC Advances, 6(58), 53421-53429.
DOI:10.1039/c6ra10818k

Prasanthkumar, K. P., Alvarez-Idaboy, J. R., Kumar, P. V., Singh, B. G., & Priyadarsini, K. I. (2016). Contrasting reactions of hydrated electron and formate radical with 2-thio analogues of cytosine and uracil. Physical Chemistry Chemical Physics, 18(41), 28781-28790.
DOI:10.1039/c6cp04483b

Última actualización: 15 de febrero de 2021