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dc.contributor.author Gruber, Nadia
dc.contributor.author Piehl, Lidia Leonor
dc.contributor.author Rubín de Celis, Emilio
dc.contributor.author Díaz, Jimena Estela
dc.contributor.author Garcia, Maria Beatriz
dc.contributor.author Stipa, Pierluigi
dc.contributor.author Orelli, Liliana Raquel
dc.date.available 2018-03-19T21:06:51Z
dc.date.issued 2015-12
dc.identifier.citation Gruber, Nadia; Piehl, Lidia Leonor; Rubín de Celis, Emilio; Díaz, Jimena Estela; Garcia, Maria Beatriz; et al.; Amidinoquinoxaline N-oxides as novel spin traps; Royal Society of Chemistry; RSC Advances; 5; 4; 12-2015; 2724-2731
dc.identifier.issn 2046-2069
dc.identifier.uri http://hdl.handle.net/11336/39284
dc.description.abstract A novel type of spin traps 1 derived from the pyrimidoquinoxaline N-oxide heterocyclic core is reported. EPR technique was used to evaluate their ability to trap methyl radicals generated in a Fenton reaction in the presence of DMSO. All the synthesized nitrones showed spin trapping properties and the corresponding nitroxides 2 were characterized by EPR. The novel spin traps showed remarkably persistent signals, as confirmed in a competition experiment with DMPO. The addition rate constants leading to the spin adducts (kadd) were determined, and very good correlations were found with steric and electronic parameters of the parent nitrones. The spin adducts decomposition rate constants (kdec) and the corresponding half-life times (t1/2) were also determined. DFT and MP2 calculations were used in order to rationalize the adducts hfcc and the structural factors influencing their addition and decomposition rates.
dc.format application/pdf
dc.language.iso eng
dc.publisher Royal Society of Chemistry
dc.rights info:eu-repo/semantics/openAccess
dc.rights.uri https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject SPIN TRAPS
dc.subject EPR
dc.subject AMIDINOQUINOXALINES
dc.subject MOLECULAR MODELLING
dc.subject.classification Otras Ciencias Químicas
dc.subject.classification Ciencias Químicas
dc.subject.classification CIENCIAS NATURALES Y EXACTAS
dc.title Amidinoquinoxaline N-oxides as novel spin traps
dc.type info:eu-repo/semantics/article
dc.type info:ar-repo/semantics/artículo
dc.type info:eu-repo/semantics/publishedVersion
dc.date.updated 2018-03-19T17:25:22Z
dc.journal.volume 5
dc.journal.number 4
dc.journal.pagination 2724-2731
dc.journal.pais Reino Unido
dc.journal.ciudad Londres
dc.description.fil Fil: Gruber, Nadia. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Departamento de Química Orgánica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil Fil: Piehl, Lidia Leonor. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil Fil: Rubín de Celis, Emilio. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil Fil: Díaz, Jimena Estela. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Departamento de Química Orgánica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil Fil: Garcia, Maria Beatriz. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Departamento de Química Orgánica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil Fil: Stipa, Pierluigi. Università Politecnica Delle Marche; Italia
dc.description.fil Fil: Orelli, Liliana Raquel. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Departamento de Química Orgánica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.journal.title RSC Advances
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/C4RA14335C
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2015/RA/C4RA14335C
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)