Abstract:
Nitrosodisulfide S2NO- is a controversial intermediate in the reactions of S-nitrosothiols with HS- that produce NO and HNO. QM-MM molecular dynamics simulations combined with TD-DFT analysis contribute to a clear identification of S2NO- in water, acetone and acetonitrile, accounting for the UV-Vis signatures and broadening the mechanistic picture of N/S signaling in biochemistry. © the Owner Societies 2016.
Registro:
Documento: |
Artículo
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Título: | Nitrosodisulfide [S2NO]- (perthionitrite) is a true intermediate during the "cross-talk" of nitrosyl and sulfide |
Autor: | Marcolongo, J.P.; Morzan, U.N.; Zeida, A.; Scherlis, D.A.; Olabe, J.A. |
Filiación: | Departamento de Química Inorgánica, Analítica y Química Física, INQUIMAE, CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pab. 2, Buenos Aires, C1428EHA, Argentina
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Año: | 2016
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Volumen: | 18
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Número: | 43
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Página de inicio: | 30047
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Página de fin: | 30052
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DOI: |
http://dx.doi.org/10.1039/c6cp06314d |
Título revista: | Physical Chemistry Chemical Physics
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Título revista abreviado: | Phys. Chem. Chem. Phys.
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ISSN: | 14639076
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CODEN: | PPCPF
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14639076_v18_n43_p30047_Marcolongo |
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Citas:
---------- APA ----------
Marcolongo, J.P., Morzan, U.N., Zeida, A., Scherlis, D.A. & Olabe, J.A.
(2016)
. Nitrosodisulfide [S2NO]- (perthionitrite) is a true intermediate during the "cross-talk" of nitrosyl and sulfide. Physical Chemistry Chemical Physics, 18(43), 30047-30052.
http://dx.doi.org/10.1039/c6cp06314d---------- CHICAGO ----------
Marcolongo, J.P., Morzan, U.N., Zeida, A., Scherlis, D.A., Olabe, J.A.
"Nitrosodisulfide [S2NO]- (perthionitrite) is a true intermediate during the "cross-talk" of nitrosyl and sulfide"
. Physical Chemistry Chemical Physics 18, no. 43
(2016) : 30047-30052.
http://dx.doi.org/10.1039/c6cp06314d---------- MLA ----------
Marcolongo, J.P., Morzan, U.N., Zeida, A., Scherlis, D.A., Olabe, J.A.
"Nitrosodisulfide [S2NO]- (perthionitrite) is a true intermediate during the "cross-talk" of nitrosyl and sulfide"
. Physical Chemistry Chemical Physics, vol. 18, no. 43, 2016, pp. 30047-30052.
http://dx.doi.org/10.1039/c6cp06314d---------- VANCOUVER ----------
Marcolongo, J.P., Morzan, U.N., Zeida, A., Scherlis, D.A., Olabe, J.A. Nitrosodisulfide [S2NO]- (perthionitrite) is a true intermediate during the "cross-talk" of nitrosyl and sulfide. Phys. Chem. Chem. Phys. 2016;18(43):30047-30052.
http://dx.doi.org/10.1039/c6cp06314d