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Issue 43, 2016
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Nitrosodisulfide [S2NO] (perthionitrite) is a true intermediate during the “cross-talk” of nitrosyl and sulfide

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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.

Graphical abstract: Nitrosodisulfide [S2NO]− (perthionitrite) is a true intermediate during the “cross-talk” of nitrosyl and sulfide

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Publication details

The article was received on 13 Sep 2016, accepted on 12 Oct 2016 and first published on 12 Oct 2016


Article type: Paper
DOI: 10.1039/C6CP06314D
Citation: Phys. Chem. Chem. Phys., 2016,18, 30047-30052
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    Nitrosodisulfide [S2NO] (perthionitrite) is a true intermediate during the “cross-talk” of nitrosyl and sulfide

    J. P. Marcolongo, U. N. Morzan, A. Zeida, D. A. Scherlis and J. A. Olabe, Phys. Chem. Chem. Phys., 2016, 18, 30047
    DOI: 10.1039/C6CP06314D

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