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
Autores principales: Bringas, M., Semelak, J., Zeida, A., Estrin, D.A.
Formato: JOUR
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: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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