Search Results - "Calle, Emilio"

Mechanisms of Lactone Hydrolysis in Neutral and Alkaline Conditions by Gómez-Bombarelli, Rafael, Calle, Emilio, Casado, Julio

“…The neutral and base-catalyzed hydrolysis of nine carboxylic acid esters was studied using a hybrid supermolecule-PCM approach including six explicit water…”
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Kinetic study on the reaction of sodium nitrite with neurotransmitters secreted in the stomach by González-Jiménez, Mario, García-Santos, M. Pilar, Bermejo Tesón, Blanca, Fuentes de Arriba, Ángel L., Arenas Valgañón, Jorge, Calle, Emilio, Casado, Julio

“…Nitroso-compounds are potentially mutagenic and carcinogenic compounds due to their ability to alkylate DNA bases. One of the most common sources of human…”
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Diastereoselective synthesis of chiral 1,3-cyclohexadienals by Urosa, Aitor, Tobal, Ignacio E, de la Granja, Ángela P, Capitán, M Carmen, Moro, R F, Marcos, Isidro S, Garrido, Narciso M, Sanz, Francisca, Calle, Emilio, Díez, David

“…A novel approach to the production of chiral 1,3-cyclohexadienals has been developed. The organocatalysed asymmetric reaction of different…”
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Aplicación de la Simulación de Montecarlo para el Análisis de la Implementación de Estaciones de Carga Rápida para Vehículos Eléctricos en la Provincia de Galápagos by Otero, Patricia, Mera, Luis, Calle, Emilio

“…El presente análisis parte de una revisión de normas nacionales e internacionales aplicables para vehículos eléctricos, con el fin de establecer requisitos…”
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Synthesis, Binding and Fluorescence Studies of Bis-2-amidopyrrole Receptors for Bis-carboxylate Anions by Jiménez, Belén, Calle, Emilio, Caballero, Cruz

“…The ditopic neutral receptors 1 and 2 were synthesized for the recognition and sensing of bis-carboxylates. They are based on pyrrole and amide groups as…”
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Connecting the Chemical and Biological Reactivity of Epoxides by González-Pérez, Marina, Gómez-Bombarelli, Rafael, Arenas-Valgañón, Jorge, Pérez-Prior, M. Teresa, García-Santos, M. Pilar, Calle, Emilio, Casado, Julio

“…The chemical reactivity of the mutagenic epoxides (EP) propylene oxide (PO), 1,2-epoxybutane (1,2-EB), and cis- and trans-2,3-epoxybutane (cis- and…”
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Mechanisms of Lactone Hydrolysis in Acidic Conditions by Gómez-Bombarelli, Rafael, Calle, Emilio, Casado, Julio

“…The acid-catalyzed hydrolysis of linear esters and lactones was studied using a hybrid supermolecule–polarizable continuum model (PCM) approach including up to…”
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Mutagenic products are promoted in the nitrosation of tyramine by González-Jiménez, Mario, Arenas-Valgañón, Jorge, García-Santos, María del Pilar, Calle, Emilio, Casado, Julio

“…•Tyramine can naturally undergo N- and C-nitrosation in the human stomach.•Only the products of C-nitrosation of tyramine are shown to be mutagenic.•The…”
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Potential of the NBP Method for the Study of Alkylation Mechanisms: NBP as a DNA-Model by Gómez-Bombarelli, Rafael, González-Pérez, Marina, Calle, Emilio, Casado, Julio

“…Alkylating agents are considered to be archetypal carcinogens. One suitable technique to evaluate the activity of alkylating compounds is the NBP assay. This…”
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DNA Damage by Genotoxic Hydroxyhalofuranones: An in Silico Approach to MX by Gómez-Bombarelli, Rafael, Calle, Emilio, Casado, Julio

“…MX (3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone), a disinfection byproduct present in chlorinated drinking water, is one of the most potent mutagens…”
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Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil by González-Jiménez, Mario, Arenas-Valgañón, Jorge, Calle, Emilio, Casado, Julio

“…Minoxidil (2,4-diamino-6-(piperidin-1'-yl)pyrimidine N(3)-oxide; CASRN 38304-91-5) is a bioactive molecule with several nitrosatable groups widely used as an…”
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Reducing the environmental impact of unhairing process in colombia tanneries by Diana Marcela Fúquene Yate, Jorge Orlando Manrique Perdomo, Leonardo Emilio Calle, Andrea Viviana Yate

“…In Colombia, the largest percentage of tanneries are concentrated in the municipality of Cundinamarca, mainly in Villapinzón, a major study sites. Its…”
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Reactivity of mucohalic acids in water by Gómez-Bombarelli, Rafael, González-Pérez, Marina, Calle, Emilio, Casado, Julio

“…One group of disinfection byproducts of increasing interest are the halogenated furanones, which are formed in the chlorination of drinking water. Among these…”
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Correction to Potential of the NBP Method for the Study of Alkylation Mechanisms: NBP as a DNA-Model by Gómez-Bombarelli, Rafael, González-Pérez, Marina, Calle, Emilio, Casado, Julio

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Taurine–nitrite interaction as a precursor of alkylation mechanisms by Arenas-Valgañón, Jorge, Gómez-Bombarelli, Rafael, González-Pérez, Marina, González-Jiménez, Mario, Calle, Emilio, Casado, Julio

“…► Taurine molecule, present in nutraceuticals and energy drinks, undergoes nitrosation. ► In the nitrosation of taurine, ethanesultone and isethionic acid are…”
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Computational Calculation of Equilibrium Constants: Addition to Carbonyl Compounds by Gómez-Bombarelli, Rafael, González-Pérez, Marina, Pérez-Prior, María Teresa, Calle, Emilio, Casado, Julio

“…Hydration reactions are relevant for understanding many organic mechanisms. Since the experimental determination of hydration and hemiacetalization equilibrium…”
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Computational Study of the Acid Dissociation of Esters and Lactones. A Case Study of Diketene by Gómez-Bombarelli, Rafael, González-Pérez, Marina, Pérez-Prior, María Teresa, Calle, Emilio, Casado, Julio

“…A computational study of the aqueous pK a of some saturated and unsaturated cyclic and linear esters and ketones was carried out at the DFT-B3LYP…”
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Detection of Nitrite in Water Using Minoxidil as a Reagent by González-Jiménez, Mario, Arenas-Valgañón, Jorge, Céspedes-Camacho, Isaac F, García-Prieto, Juan Carlos, Calle, Emilio, Casado, Julio

“…Water analysis is one of the most important issues in environmental chemistry. The increasing scale of water contamination owing to the presence of nitrate and…”
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Alkylating potential of α,β-unsaturated compounds by Manso, José A, Camacho, Isaac F Céspedes, Calle, Emilio, Casado, Julio

“…Alkylation reactions of the nucleoside guanosine (Guo) by the α,β-unsaturated compounds (α,β-UC) acrylonitrile (AN), acrylamide (AM), acrylic acid (AA) and…”
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Alkylating Potential of Styrene Oxide: Reactions and Factors Involved in the Alkylation Process by González-Pérez, Marina, Gómez-Bombarelli, Rafael, Pérez-Prior, M. Teresa, Arenas-Valgañón, Jorge, García-Santos, M. Pilar, Calle, Emilio, Casado, Julio

“…The chemical reactivity of styrene-7,8-oxide (SO), an alkylating agent with high affinity for the guanine–N7 position and a probable carcinogen for humans,…”
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