Publicaciones representativas del grupo
Mutagenic products are promoted in the nitrosation of tyramine
González-Jiménez, M.; Arenas-Valgañón, J.; García-Santos, M. P.; Calle, E.; Casado, J
Food Chem., 2017, 216, 60-65
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Alkylating Potential of Styrene Oxide: Reactions and Factors Involved in the Alkylation Process
González Pérez, M; Gómez Bombarelli, R; Arenas-Valgañón, J, Pérez-Prior, M. T.; García-Santos, M. P.; Calle, E.; Casado, J.
Chem. Res. Toxicol., 2014, 27, 1853-1859
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Interference by Nitrous Acid Decomposition in the Kinetic Study of Nitrosation Reactions
Arenas-Valgañón, J.; González Pérez, M; Gómez Bombarelli, R; González-Jiménez, M.; Calle, E.; Casado, J
Int. J. Chem. Kinet., 2014, 46, 321-327
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Detection of Nitrite in Water Using Minoxidil as a Reagent
González-Jiménez, M.; Arenas-Valgañón, J.; Céspedes-Camacho, I. F.; García-Prieto, J. C.; Calle, E.; Casado, J
J. Chem. Educ., 2013, 90, 1053-1056
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Mechanisms of Lactone Hydrolysis in Acidic Conditions
Gómez Bombarelli, R; Calle, E.; Casado, J.
J. Org. Chem., 2013, 78, 6880-6889
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Mechanisms of Lactone Hydrolysis in Neutral and Alkaline Conditions
Gómez Bombarelli, R; Calle, E.; Casado, J.
J. Org. Chem., 2013, 78, 6868-6879
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Connecting the Chemical and Biological Reactivity of Epoxides
González Pérez, M; Gómez Bombarelli, R; Arenas-Valgañón, J, Pérez-Prior, M. T.; García-Santos, M. P.; Calle, E.; Casado, J.
Chem. Res. Toxicol., 2012, 25, 2755-2762
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DNA Damage by Genotoxic Hydroxyhalofuranones: An in Silico Approach to MX
Gómez Bombarelli, R.; Calle, E.; Casado, J.
Environ. Sci. Technol., 2012, 46, 13463-13470
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Potential of the NBP Method for the Study of Alkylation Mechanisms: NBP as a DNA-Model
Gómez Bombarelli, R.; González Pérez, M.; Calle, E.; Casado, J.
Chem. Res. Toxicol., 2012, 25, 1176-1191
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Taurine-nitrite interaction as a precursor of alkylation mechanisms
Arenas-Valgañón, J.; Gómez Bombarelli, R.; González Pérez, M.; González-Jiménez, M.; Calle, E.; Casado, J.
Food Chem., 2012, 134, 986-991.
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The reactivity of vinyl compounds as alkylating agents
Céspedes-Camacho, I. F.; Manso, J. A.; González-Jiménez, M.; Calle, E.; Casado, J.
Monatsh. Chem., 2012, 143, 723–727.
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Genotoxic halofuranones in water: isomerization and acidity of mucohalic acids
Gómez Bombarelli, R.; González Pérez, M.; Pérez Prior, M. T; Calle, E.; Casado, J.
J. Phys. Org. Chem., 2012, 25, 14-20.
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Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil
González-Jiménez, M.; Arenas-Valgañón, J.; Calle, E.; Casado, J.
Org. Biomol. Chem., 2011, 9, 7680-7684.
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DNA-Damaging Disinfection Byproducts: Alkylation Mechanism of Mutagenic Mucohalic Acids
Gómez Bombarelli, R.; González Pérez, M.; Arenas-Valgañon, J; Céspedes-Camacho, I. F.; Calle, E.; Casado, J.
Environ. Sci. Technol., 2011, 45, 9009-9016.
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Reactivity of p-nitrostyrene oxide as an alkylating agent. A kinetic approach to biomimetic conditions
González Pérez, M.; Gómez Bombarelli, R.; Pérez Prior, M. T; Manso, J. A.; Céspedes-Camacho, I. F.; Calle, E.; Casado, J.
Org. Biomol. Chem., 2011, 9, 7016-7022.
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Alkylating potential of α,β-unsaturated compounds
Manso, J. A.; Céspedes-Camacho, I. F.; Calle, E.; Casado, J.
Org. Biomol. Chem., 2011, 9, 6226-6233.
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Reactivity of mucohalic acids in water
Gómez Bombarelli, R.; González Pérez, M.; Calle, E.; Casado, J.
Water Research, 2011, 45, 714-720.
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Alkylating Potential of Oxetanes
Gómez-Bombarelli, R.; Brito Palma, B.; Martins, C; Kranendonk, M Rodrigues, A. S; Calle, E; Rueff, J; Casado, J.
Chem. Res. Toxicol., 2010, 23, 1275-1281.
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Reactivity of the Mutagen 1,4-Dinitro-2-methylpyrrole as an Alkylating Agent
Pérez Prior, M. T; Gómez Bombarelli, R.; González Pérez, M.; Manso, J. A.; García Santos, M. P.; Calle, E.; Casado, J.
J. Org. Chem., 2010, 75, 1444-1449
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Reactivity of acrylamide as an alkylating agent: a kinetic approach
Céspedes-Camacho, I. F.; Manso, J. A.; Pérez Prior, M. T; Gómez Bombarelli, R.; González Pérez, M.; Calle, E.; Casado, J.
J. Phys. Org. Chem., 2010, 23, 171-175.
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Computational Calculation of Equilibrum Constants: Addition to Carbonyl Compounds
Gómez Bombarelli, R.; González Pérez, M.; Pérez Prior, M. T; Calle, E.; Casado, J.
J. Phys. Chem. A., 2009, 113, 11423-11428.
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Sorbate-Nitrite Interactions: Acetonitrile Oxide as an Alkylating Agent.
Pérez Prior, M. T; Gómez Bombarelli, R.; González Pérez, M.; Manso, J. A.; García Santos, M. P.; Calle, E.; Casado, J.
Chem. Res. Toxicol., 2009, 22, 1320–1324.
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Computational study of the Acid Dissociation of Esters and Lactones. A Case Study of Diketene
Gómez Bombarelli, R.; González Pérez, M.; Pérez Prior, M. T; Calle, E.; Casado, J.
J. Org. Chem., 2009, 74, 4943–4948.
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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
Pérez Prior, M. T.; Manso, J. A.; Gómez Bombarelli, R.; González Pérez, M.; Céspedes, I. F.; García Santos, M. P.; Calle, E.; Casado, J.
J. Phys. Org. Chem., 2009, 22, 418-424.
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Alkylating Potential of N-phenyl-N-nitrosourea
Manso, J. A.; Pérez Prior, M. T.; Gómez Bombarelli, R.; González Pérez, M.; Céspedes, I. F.; García Santos, M. P.; Calle, E.; Casado, J.
J. Phys. Org. Chem., 2009, 22, 386-389.
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Kinetic Study of the Neutral and Base Hydrolysis of Diketene
Gómez Bombarelli, R.; González Pérez, M.; Pérez Prior, M. T; Manso, J. A.; Calle, E.; Casado, J.
J. Phys. Org. Chem., 2009, 22, 438-442
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Reactivity of Some Products Formed by the Reaction of Sorbic Acid with Sodium Nitrite: Decomposition of 1, 4-Dinitro-2-methylpyrrole and Ethylnitrolic Acid
Pérez Prior, M. T; Manso, J. A.; Gómez Bombarelli, R.; González Pérez, M.; García Santos, M. P.; Calle, E.; Caballero, M. C.; Casado, J.
J. Agric. Food Chem., 2008, 56, 11824-11829
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Chemical Reactivity and Biological Activity of Diketene.
Gómez Bombarelli, R.; González Pérez, M.; Pérez Prior, M. T; Manso, J. A.; Calle, E.; Casado, J.
Chem. Res. Toxicol., 2008, 21, 1964-1969
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Steric effect in alkylation reactions by N-alkyl-N-nitrosoureas: a kinetic approach
Manso, J. A.; Pérez Prior, M. T.; García Santos, M. P.; Calle, E.; Casado, J.
J. Phys. Org. Chem., 2008, 21, 932-938.
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Sorbic Acid as an Alkylating Agent
Pérez Prior, M. T.; Manso, J. A.; García Santos, M. P.; Calle, E.; Casado, J.
J. Solution Chem., 2008, 37, 459-466.
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Solvent Effects on the Enthalpy and Entropy of Activation for the Hydrolysis of β-Lactones
Manso, J. A.; Pérez Prior, M. T.; García Santos, M. P.; Calle, E.; Casado, J.
J. Solution Chem., 2008, 37, 451-457.
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Nitrosation of Amino Acids as a Precursor of Alkylation Mechanisms
Casado, J. (Invited Review)
Recent Stud. Solution Chem.: Fundamentals and Applications., 2007, 37, 139-200
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Química y creatividad: del helio a la femtoquímica.
Casado J.
Lección Inaugural del Curso Académico 2007-08; Universidad de Salamanca, 2007, 1-94.
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The Unusual Ability of α-Angelicalactone to Form Adducts: A Kinetic Approach
Fernández Rodríguez, E.; Manso, J. A.; Pérez Prior, M. T.; García Santos, M. P.; Calle, E.;
Casado, J.
Int. J. Chem. Kinet., 2007, 39, 591-594.
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Alkylating potential of potassium sorbate
Pérez Prior, M. T, Manso, J. A., García Santos, M. P., Calle, E., Casado, J.
J. Agric. Food Chem., 2005, 53, 10244-10247.
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A kinetic approach to the alkylating potential of carcinogenic lactones
Manso, J. A., Pérez Prior, M. T, García Santos, M. P., Calle, E., Casado, J.
Chem. Res. Toxicol., 2005, 18, 1161-1166.
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Reactivity of Lactones and GHB Formation
Pérez Prior, M. T, Manso, J. A., García Santos, M. P., Calle, E., Casado, J.
J. Org. Chem., 2005, 70, 420-426.

Stereochemical effects in the metabolic activation of nitrosopiperidines: correlations with genotoxicity
González Mancebo, S., Gaspar, J., Calle, E., Pereira, S., Mariano, A., Rueff, J., Casado, J.
Mutat. Res., 2004, 558, 45-51.

A Practical Integrated Approach to Supramolecular Chemistry
III. Thermodynamics of Inclusion Phenomena
Hernández Benito, J., García Santos, M.P., O'Brien, E., Calle, E., Casado, J.
J. Chem. Ed., 2004, 81, 540-544.

A method for the kinetic study of amino acid nitrosation reactions
García Santos, M. P., Calle, E., Casado, J.
Polyhedron, 2003, 22, 1059-1066.

Reactivity of Amino Acids in Nitrosation Reactions and Its Relation to the Alkylating Potential of Their Products
García Santos, M. P., González Mancebo, S., Hernández Benito, J., Calle, E., Casado, J.
JACS, 2002, 124, 2177-2182.
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Mechanisms of Hydrolysis and Nitrosation Reactions of Alkyl Nitrites in Various Media
Iglesias, E., Casado, J.
Int. Rev. Phys. Chem., 2002, 21, 37-74.

Nitrosation of Phenolic Compounds: Effects of Alkyl Substituents and Solvent
González Mancebo, S., Lacadena, J., García Alonso, Y., Hernández Benito, J., Calle, E., Casado, J.
Monatsh. Chem., 2002, 133, 157-166.
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Amino Acid Nitrosation Products as Alkylating Agents
García Santos, M. P., Calle, E. , Casado, J.
JACS, 2001, 123, 7506-7510.
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Nitrosation reactions and nitrosocompounds in microheterogeneous media
Iglesias, E, García Río, L, Leis, J. R., Casado, J.
Recent Res. Devel. Phys. Chem., 2000, 4, 101-133.

A Practical Integrated Approach to Supramolecular Chemistry
I. Equilibria in Inclusion Phenomena
Hernández Benito, J., González Mancebo,S., Calle, E., García Santos, M. P., Casado, J.
J. Chem. Ed., 1999, 76, 419-421.

A Practical Integrated Approach to Supramolecular Chemistry
II. Kinetics of Inclusion Phenomena
Hernández Benito, J., González Mancebo, S., Calle, E., García Santos, M. P., Casado, J.
J. Chem. Ed., 1999, 76, 422-424.

Nitrosation of Phenolic Compounds: Inhibition and Enhancement
González Mancebo, S., García Santos, M. P., Hernández Benito, J., Calle, E., Casado, J.
J. Agr. Food Chem., 1999, 47, 2235-2240.
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Inhibition of Nitrosation by the Reaction Medium
García Prieto, J. C., Mateos, R., Calle, E., Casado, J.
J. Agr. Food Chem., 1998, 46, 3517-3520.
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Study of the Effects of Concentration and pH on the Dissociation Kinetics of Fe(II)-Fulvic Acid Complexes
Rey, F., Calle, E., Casado, J.
Int. J. Chem. Kinet., 1998, 30, 63-67.

Nitrosation Kinetics of Phenolic Components of Foods and Beverages
Fernández Liencres, M. P., Calle, E., González Mancebo, S., Casado, J., Quintero, B.
Int. J. Chem. Kinet., 1997, 29, 119-125.

Nitrosation Reactions and Nitrosocompounds in Microheterogeneous Media
Iglesias, E., García Río, L., Leis, J. R., and Casado, J.
Recent Res. Devel. Phys. Chem., 1997, 1, 403-438.

Inhibition of Nitrosation by Steric Hindrance
González Mancebo, S., Calle, E., García Santos, M. P., Casado, J.
J. Agr. Food Chem., 1997, 45, 334-336.
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Structural Effects on the N-Nitrosation of Amino Acids
Gil, R., Casado, J., Izquierdo, C.
Int. J. Chem. Kinet., 1997, 29, 495-504.

El problema de los nitratos/nitritos en aguas y alimentos: Nitrosaciones. I
Casado, J.
Ibérica, Actualidad tecnológica, 1996, 76, 542-547.

El problema de los nitratos/nitritos en aguas y alimentos: Nitrosaciones. II
Casado, J.
Ibérica, Actualidad tecnológica, 1996, 76, 580-583.

Kinetics of the Aminolysis and Hidrolysis of Alkyl Nitrites: Evidence for an Orbital-Controlled Mechanism
García Santos, P., Calle, E., González Mancebo, S., Casado, J.
Monatsh. Chem., 1996, 127, 997-1003.

The Nitrosation of N-Alkylureas: Evidence For a Proton Transfer Mechanism
Casado, J., González Alatorre, G., Izquierdo, C., Brunner, C.
Int. J. Chem. Kinet., 1996, 28, 301-313.

The Nitrosation of Amino Acids
Gil, R., Casado, J., Izquierdo, C.
Int. J. Chem. Kinet., 1994, 26, 1167-78.

Microemulsions as a New Working Medium in Physical Chemistry. An Integrated Practical Approach
Casado, J., Fuentes, S., Izquierdo, C., Moyá, M. L.
J. Chem. Ed., 1994, 71, 446-450.

Photolysis of N-Nitrosamines in Neutral Media
Fiz, N., Usero, J. L., Casado, J.
Int. J. Chem. Kinet., 1993, 25, 341-351.

Quantitative Structure-Activity Relationship Study of the Biophysicochemical Behavior of Nitrosamine
Vera, A., Montes, M., Usero, J. L., Casado, J.
J. Pharm. Sci., 1992, 81, 791-796.

Formation of Nitrosamines in Alkaline Conditions: A Kinetic Study of the Nitrosation of Linear and Cyclic Secondary Amines by Alkyl Nitrites
Calle, E., Casado, J., Cinos, J. L., García Mateos, J., Tostado, M.
J. Chem. Soc., Perkin Trans. 2, 1992, 987-991.

Microemulsions as a Medium in Chemical Kinetics. II The I- + S2O8= and Crystal Violet + OH- Reactions in Different Surfactant / Oil / Water Microemulsions
Izquierdo, C., Casado, J., Rodríguez, A., Moyá, M. L.
Int. J. Chem. Kinet., 1992, 24, 19-30.

Microemulsions as a Medium in Chemical Kinetics: The Persulfate-Iodide Reaction
Moyá, M. L., Izquierdo, C., Casado, J.
J. Phys. Chem., 1991, 95, 6001-6004.