Nitrosodisulfide [S 2 NO] - (perthionitrite) is a true intermediate during the "cross-talk" of nitrosyl and sulfide

Nitrosodisulfide S NO 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 S NO in water, acetone and acetonitrile, accounting for the UV-Vis sig...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2016-11, Vol.18 (43), p.30047-30052
Hauptverfasser:	Marcolongo, Juan P, Morzan, Uriel N, Zeida, Ari, Scherlis, Damián A, Olabe, José A
Format:	Artikel
Sprache:	eng
Schlagworte:	Acetone Acetonitrile Biochemistry Molecular dynamics Physical chemistry Signatures Simulation Sulfides
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description	Nitrosodisulfide S NO 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 S NO in water, acetone and acetonitrile, accounting for the UV-Vis signatures and broadening the mechanistic picture of N/S signaling in biochemistry.
doi_str_mv	10.1039/c6cp06314d
format	Article
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source	Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection
subjects	Acetone Acetonitrile Biochemistry Molecular dynamics Physical chemistry Signatures Simulation Sulfides
title	Nitrosodisulfide [S 2 NO] - (perthionitrite) is a true intermediate during the "cross-talk" of nitrosyl and sulfide
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