Theoretical investigation of the mechanism of nitroxyl decomposition in aqueous solution

Nitroxyl (HNO) is a species that has been proposed recently to play different roles in nitrosative stress processes. HNO decomposition in aqueous solution leading to N2O is a fast reaction that competes with many biochemical reactions in which HNO may be involved. Since molecular determinants of thi...

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Detalles Bibliográficos
Autor principal:	Estrin, Dario Ariel
Publicado:	2016
Materias:	Aqueous decomposition Mechanism Nitroxyl QM/MM Reactive nitrogen species nitrous oxide nitroxyl reactive nitrogen species unclassified drug nitrogen oxide solution and solubility water aqueous solution Article calculation decomposition dimerization molecular dynamics nitrosative stress pH predictive value quantum mechanics structure analysis theoretical study chemistry electron kinetics quantum theory thermodynamics Dimerization Electrons Hydrogen-Ion Concentration Kinetics Molecular Dynamics Simulation Nitrogen Oxides Nitrous Oxide Quantum Theory Solutions Thermodynamics Water
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01620134_v162_n_p102_Bringas http://hdl.handle.net/20.500.12110/paper_01620134_v162_n_p102_Bringas
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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