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PUBLICACIONES

Artículos publicados en revistas internacionales indizadas

 

  1. Escárcega-Ramírez, C. G., May-Lozano, M., López-Medina, R., González-Díaz, M. O., Iuga, C., Yañez-Varela, J. A., Alonso-García, A., Martínez-Delgadillo, S. A. (2024). Evaluation of the effect of ultrasound on the synthesis of TiO₂ photocatalysts by means of its activity in the degradation of dyes. Chemical Engineering Transactions, 114, 193–198. https://doi.org/10.3303/CET24114033 PDF

  2. Pérez de la Luz, A., Iuga, C., & Vivier-Bunge, A. (2020). An effective force field to reproduce the solubility of MTBE in water. Fuel, 264, 116761. https://doi.org/10.1016/j.fuel.2019.116761

  3. Iuga, C.*, Ortiz, E., & Vivier-Bunge, A. (2019). Atmospheric oxidation of tertiary amyl methyl and ethyl ethers: A quantum chemistry study. Fuel, 246, 349–357. https://doi.org/10.1016/j.fuel.2018.12.128

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

  5. Morales Mora, M. A., Pretelín Vergara, C. F., Martínez-Delgadillo, S. A., Iuga, C., & Nolasco Hipólito, C. (2018). Environmental assessment of a combined heat and power plant configuration proposal with post-combustion CO₂ capture for the Mexican oil and gas industry. Clean Technologies and Environmental Policy, 20(8), 1779–1790. https://10.1007/s10098-018-1630-3

  6. Medina, M. E., Iuga, C., & Trigos, Á. (2016). Mechanism and kinetics of the oxidative damage to ergosterol induced by peroxyl radicals in lipid media: A theoretical quantum chemistry study. Journal of Physical Organic Chemistry, 29(4), 196–203. https://doi.org/10.1002/poc.3520

  7. Iuga, C.*, Sainz-Díaz, C. I., & Vivier-Bunge, A. (2015). Hydroxyl radical initiated oxidation of formic acid on mineral aerosols surface: A mechanistic, kinetic and spectroscopic study. Environmental Chemistry, 12(3), 236–244. https://doi.org/10.1071/EN14138

  8. Iuga, C.*, Campero, A., & Vivier-Bunge, A. (2015). Antioxidant vs. prooxidant action of phenothiazine in a biological environment in the presence of hydroxyl and hydroperoxyl radicals: A quantum chemistry study. RSC Advances, 5(18), 14678–14689. https://doi.org/10.1039/C4RA14918A

  9. Iuga, C.*, Osnaya-Soto, L., Ortiz, E., & Vivier-Bunge, A. (2015). Atmospheric oxidation of methyl and ethyl tert-butyl ethers initiated by hydroxyl radicals: A quantum chemistry study. Fuel, 159, 269–279. https://doi.org/10.1016/j.fuel.2015.06.051

  10. Caicedo, C., Iuga, C., Castañeda-Arriaga, R., & Alvarez-Idaboy, J. R. (2014). Antioxidant activity of selected natural polyphenolic compounds from soybean via peroxyl radicals scavenging. RSC Advances, 4(72), 38918–38929. https://doi.org/10.1039/C4RA04758C

  11. Iuga, C.*, Sainz-Díaz, C. I., Ortíz, E., & Vivier-Bunge, A. (2014). Indigo adsorption on a silicate surface: A theoretical density functional study. Journal of Molecular Modeling, 20(7), 2318. 10.1007/s00894-014-2318-1

  12. Medina, M. E., Iuga, C.*, & Álvarez-Idaboy, J. R. (2014). Antioxidant activity of fraxetin and its regeneration in aqueous media. RSC Advances, 4(93), 52920–52932. https://doi.org/10.1039/C4RA08394F

  13. Iuga, C.*, Solís, C., Alvarez-Idaboy, J. R., Martínez, M. Á., Mondragón, M. A., & Vivier-Bunge, A. (2014). A theoretical and experimental evaluation of imidazolium-based ionic liquids for atmospheric mercury capture. Journal of Molecular Modeling, 20(5), 2186. https://doi.org/10.1007/s00894-014-2186-8

  14. Alberto, M., Iuga, C., Quartarolo, A. D., & Russo, N. (2013). Bisanthracene bis(dicarboxylic imide)s as potential photosensitizers in photodynamic therapy: A theoretical investigation. Journal of Chemical Information and Modeling, 53(9), 2334–2340. https://doi.org/10.1021/ci4003365

  15. Medina, M., Iuga, C., & Alvarez-Idaboy, J. R. (2013). Antioxidant activity of propyl gallate in aqueous and lipid media: A theoretical study. Physical Chemistry Chemical Physics, 15(34), 13137–13146. https://doi.org/10.1039/C3CP51644J

  16. Molina-Espíritu, M., Esquivel, R. O., Angulo, J. C., Antolín, J., Iuga, C., & Dehesa, J. S. (2013). Information-theoretical analysis for the SN2 exchange reaction CH₃Cl + F⁻. International Journal of Quantum Chemistry, 113(24), 2589–2599. https://doi.org/10.1002/qua.24510

  17. Reyes, L., Díaz-Sánchez, C., & Iuga, C. (2012). Effects of alkyl groups in the rate determining step of the Baeyer–Villiger reaction of phenyl alkyl ketones: A quantum chemistry study. The Journal of Physical Chemistry A, 116(29), 7712–7717. https://doi.org/10.1021/jp303971u

  18. Iuga, C.*, Alvarez-Idaboy, J. R., & Russo, N. (2012). Antioxidant activity of trans-resveratrol towards hydroxyl and hydroperoxyl radicals: A quantum chemistry and computational kinetics study. The Journal of Organic Chemistry, 77(8), 3868–3877. https://doi.org/10.1021/jo3002134

  19. Iuga, C., Sainz-Díaz, C. I., & Vivier-Bunge, A. (2012). Interaction energies and spectroscopic effects in the adsorption of formic acid on mineral aerosol surface models. The Journal of Physical Chemistry C, 116(4), 2904–2914. https://doi.org/10.1021/jp2090846

  20. Pérez de la Luz, A., Iuga, C.*, Alvarez-Idaboy, J. R.*, Ortíz, E., & Vivier-Bunge, A. (2012). Tropospheric degradation of ethylene glycol mono-vinyl and di-vinyl ethers: A mechanistic and kinetic study. International Journal of Quantum Chemistry, 112(21), 3525–3534. https://doi.org/10.1002/qua.24159

  21. Córdova-Gómez, M., Iuga, C., & Alvarez-Idaboy, J. R. (2012). Mechanisms and rate constants in the atmospheric oxidation of saturated esters by hydroxyl radicals: A theoretical study. International Journal of Quantum Chemistry, 112(21), 3508–3515. https://doi.org/10.1002/qua.24149

  22. Iuga, C.*, Ortiz, E., Alvarez-Idaboy, J. R., & Vivier-Bunge, A. (2012). Molecular description of indigo oxidation mechanisms initiated by OH and OOH radicals. The Journal of Physical Chemistry A, 116(14), 3643–3651. https://doi.org/10.1021/jp211493k

  23. Iuga, C.*, Alvarez-Idaboy, J. R., & Vivier-Bunge, A. (2011). Mechanism and kinetics of the water-assisted formic acid + OH reaction under tropospheric conditions. The Journal of Physical Chemistry A, 115(19), 5138–5146. https://doi.org/10.1021/jp201517p

  24. Iuga, C.*, Alvarez-Idaboy, J. R., & Vivier-Bunge, A. (2011). ROS initiated oxidation of dopamine under oxidative stress conditions in aqueous and lipidic environments. The Journal of Physical Chemistry B, 115(42), 12234–12246. https://doi.org/10.1021/jp206347u

  25. Iuga, C.*, Alvarez-Idaboy, J. R., & Vivier-Bunge, A. (2011). On the possible catalytic role of a single water molecule in the acetone + OH gas phase reaction: A theoretical pseudo second-order kinetics study. Theoretical Chemistry Accounts, 129(2–3), 209–217. https://doi.org/10.1007/s00214-011-0921-0

  26. Iuga, C., Alvarez-Idaboy, J. R., Reyes, L., & Vivier-Bunge, A. (2010). Can a single water molecule really catalyze the acetaldehyde + OH reaction in tropospheric conditions? The Journal of Physical Chemistry Letters, 1(19), 3112–3115. https://doi.org/10.1021/jz101218n

  27. Esquivel, R. O., Flores-Gallegos, N., Iuga, C., Carrera, E., Angulo, J. C., & Antolín, J. (2010). Phenomenological description of selected elementary chemical reaction mechanisms: An information-theoretic study. Physics Letters A, 374(8), 948–951. https://doi.org/10.1016/j.physleta.2009.12.018

  28. Iuga, C., Olguín-Uribe, S., Miranda, L. D., & Vivier-Bunge, A. (2010). Selectivity in radical alkylation of substituted pyrroles. International Journal of Quantum Chemistry, 110(4), 697–705. https://doi.org/10.1002/qua.22178

  29. Iuga, C., Alvarez-Idaboy, J. R., & Vivier-Bunge, A. (2010). Single water-molecule catalysis in the glyoxal + OH reaction in tropospheric conditions: Fact or fiction? A quantum chemistry and pseudo-second order computational kinetic study. Chemical Physics Letters, 501(1–3), 11–15. https://doi.org/10.1016/j.cplett.2010.10.001

  30. Iuga, C., Sainz-Díaz, C. I., & Vivier-Bunge, A. (2010). On the OH initiated oxidation of C2–C5 aliphatic aldehydes in the presence of mineral aerosols. Geochimica et Cosmochimica Acta, 74(12), 3587–3597. https://doi.org/10.1016/j.gca.2010.01.034

  31. Esquivel, R. O., Flores-Gallegos, N., Iuga, C., Carrera, E., Angulo, J. C., & Antolín, J. (2009). Phenomenological description of the transition state, and the bond breaking and bond forming processes of selected elementary chemical reactions: An information-theoretic study. Theoretical Chemistry Accounts, 124(7), 445–460. https://doi.org/10.1007/s00214-009-0641-x

  32. Sainz-Díaz, C. I., Iuga, C., Francisco-Márquez, M., & Vivier-Bunge, A. (2009). Adsorption of pollutants on silicate surfaces from aerosols by computational geochemistry. Geochimica et Cosmochimica Acta, 73(13, Suppl.), A1145. WEB.

  33. Iuga, C., Vivier-Bunge, A., Hernández-Laguna, A., & Sainz-Díaz, C. I. (2008). Quantum chemistry and computational kinetics of the reaction between OH radicals and formaldehyde adsorbed on small silica aerosol models. The Journal of Physical Chemistry C, 112(12), 4590–4600. https://doi.org/10.1021/jp077557m

  34. Iuga, C., Galano, A., & Vivier-Bunge, A. (2008). Theoretical investigation on the OH radical initiated oxidation of benzaldehyde in the troposphere. ChemPhysChem, 9(10), 1453–1459. https://doi.org/10.1002/cphc.20080014435.

  35. Sainz-Díaz, C. I., Iuga, C., Vivier-Bunge, A., & Hernández-Laguna, A. (2008). Quantum mechanical study of adsorption and reactivity of organic free radicals on silicate surfaces of aerosol particles. Abstracts of Papers of the American Chemical Society, 236, GEOC 201.

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