Publications

Found 23 results
Filters: Author is Calle, E.  [Clear All Filters]
2014
M. González-Pérez, Gómez-Bombarelli, R., Pérez-Prior, M. T., Arenas-Valgañõn, J., García-Santos, M. P., Calle, E., and Casado, J., “Alkylating potential of styrene oxide: Reactions and factors involved in the alkylation process”, Chemical Research in Toxicology, vol. 27, 2014.
J. Arenas-Valgañõn, Gómez-Bombarelli, R., González-Pérez, M., González-Jiménez, M., Calle, E., and Casado, J., “Interference by nitrous acid decomposition in the kinetic study of nitrosation reactions”, International Journal of Chemical Kinetics, vol. 46, 2014.
2013
R. Gómez-Bombarelli, Calle, E., and Casado, J., “Mechanisms of lactone hydrolysis in acidic conditions”, Journal of Organic Chemistry, vol. 78, 2013.
R. Gómez-Bombarelli, Calle, E., and Casado, J., “Mechanisms of lactone hydrolysis in neutral and alkaline conditions”, Journal of Organic Chemistry, vol. 78, 2013.
2012
M. González-Pérez, Gómez-Bombarelli, R., Arenas-Valgañõn, J., Pérez-Prior, M. T., García-Santos, M. P., Calle, E., and Casado, J., “Connecting the chemical and biological reactivity of epoxides”, Chemical Research in Toxicology, vol. 25, 2012.
R. Gómez-Bombarelli, Calle, E., and Casado, J., “DNA damage by genotoxic hydroxyhalofuranones: An in silico approach to MX”, Environmental Science and Technology, vol. 46, 2012.
R. Gómez-Bombarelli, González-Pérez, M., Calle, E., and Casado, J., “Erratum: Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model (Chemical Research in Toxicology (2012) 25:6 (1176-1191) DOI: 10.1021/tx300065v)”, Chemical Research in Toxicology, vol. 25, 2012.
R. Gómez-Bombarelli, González-Pérez, M., Pérez-Prior, M. T., Calle, E., and Casado, J., “Genotoxic halofuranones in water: Isomerization and acidity of mucohalic acids”, Journal of Physical Organic Chemistry, vol. 25, 2012.
R. Gómez-Bombarelli, González-Pérez, M., Calle, E., and Casado, J., “Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model”, Chemical Research in Toxicology, vol. 25, 2012.
J. Arenas-Valgañõn, Gómez-Bombarelli, R., González-Pérez, M., González-Jiménez, M., Calle, E., and Casado, J., “Taurine-nitrite interaction as a precursor of alkylation mechanisms”, Food Chemistry, vol. 134, 2012.
2011
R. Gómez-Bombarelli, González-Pérez, M., Arenas-Valgañõn, J., Céspedes-Camacho, I. F., Calle, E., and Casado, J., “DNA-damaging disinfection byproducts: Alkylation mechanism of mutagenic mucohalic acids”, Environmental Science and Technology, vol. 45, 2011.
R. Gómez-Bombarelli, González-Pérez, M., Calle, E., and Casado, J., “Reactivity of mucohalic acids in water”, Water Research, vol. 45, 2011.
M. González-Pérez, Gómez-Bombarelli, R., Pérez-Prior, M. T., Manso, J. A., Céspedes-Camacho, I. F., Calle, E., and Casado, J., “Reactivity of p-nitrostyrene oxide as an alkylating agent. A kinetic approach to biomimetic conditions”, Organic and Biomolecular Chemistry, vol. 9, 2011.
2010
R. Gómez-Bombarelli, Palma, B. B., Martins, C., Kranendonk, M., Rodrigues, A. S., Calle, E., Rueff, J., and Casado, J., “Alkylating potential of oxetanes”, Chemical Research in Toxicology, vol. 23, 2010.
I. F. Céspedes-Camacho, Manso, J. A., M. Pérez-Prior, T., Gómez-Bombarelli, R., González-Pérez, M., Calle, E., and Casado, J., “Reactivity of acrylamide as an alkylating agent: A kinetic approach”, Journal of Physical Organic Chemistry, vol. 23, 2010.
T. M. Pérez-Prior, Gómez-Bombarelli, R., González-Pérez, M., Manso, J. A., M. García-Santos, P., Calle, E., and Casado, J., “Reactivity of the mutagen l,4-dinitro-2-methylpyrrole as an alkylating agent”, Journal of Organic Chemistry, vol. 75, 2010.
2009
R. Gómez-Bombarelli, González-Pérez, M., Pérez-Prior, M. T., Calle, E., and Casado, J., “Computational calculation of equilibrium constants: Addition to carbonyl compounds”, Journal of Physical Chemistry A, vol. 113, 2009.
R. Gómez-Bombarelli, González-Pérez, M., Pérez-Prior, M. T., Calle, E., and Casado, J., “Computational study of the acid dissociation of esters and lactones. A case study of diketene”, Journal of Organic Chemistry, vol. 74, 2009.
R. Gómez-Bombarelli, González-Pérez, M., Pérez-Prior, M. T., Manso, J. A., Calle, E., and Casado, J., “Kinetic study of the neutral and base hydrolysis of diketene”, Journal of Physical Organic Chemistry, vol. 22, 2009.
M. T. Pérez-Prior, Manso, J. A., Gómez-Bombarelli, R., González-Pérez, M., Céspedes, I. F., García-Santos, M. P., Calle, E., and Casado, J., “Solvent effects in the decomposition reaction of some products formed by the reaction of sorbic acid with sodium nitrite: 1, 4-dinitro-2-methylpyrrole and ethylnitrolic acid”, Journal of Physical Organic Chemistry, vol. 22, 2009.
M. T. Pérez-Prior, Gómez-Bombarelli, R., González-Pérez, M., Manso, J. A., García-Santos, M. P., Calle, E., and Casado, J., “Sorbate-nitrite interactions: Acetonitrile oxide as an alkylating agent”, Chemical Research in Toxicology, vol. 22, 2009.
2008
R. Gómez-Bombarelli, González-Pérez, M., M. Pérez-Prior, T., Manso, J. A., Calle, E., and Casado, J., “Chemical reactivity and biological activity of diketene”, Chemical Research in Toxicology, vol. 21, 2008.
M. T. Pérez-Prior, Manso, J. A., Gómez-Bombarelli, R., González-Pérez, M., García-Santos, M. P., Calle, E., Caballero, M. C., and Casado, J., “Reactivity of some products formed by the reaction of sorbic acid with sodium nitrite: Decomposition of 1,4-dinitro-2-methylpyrrole and ethylnitrolic acid”, Journal of Agricultural and Food Chemistry, vol. 56, 2008.