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Specific Interactions of Ammonium Functionalities in Amino Acids with Aqueous Fluoride and Iodide

SYSNO ASEP	0350694
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Specific Interactions of Ammonium Functionalities in Amino Acids with Aqueous Fluoride and Iodide
Author(s)	Mason, P. E. (US) Heyda, Jan (UOCHB-X) Fischer, H. E. (FR) Jungwirth, Pavel (UOCHB-X)_{RID, ORCID}
Number of authors	4
Source Title	Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106 Roč. 114, č. 43 (2010), s. 13853-13860
Number of pages	8 s.
Language	eng - English
Country	US - United States
Keywords	ammonium ; water ; molecular dynamics
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	GA203/08/0114 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000283519600028
DOI	10.1021/jp104840g
Annotation	Molecular dynamics simulations were performed to examine the relative strength of interactions of fluoride versus iodide with the ammonium ion, the alkyl ammonium side chain of lysine, and the zwitterionic ammonium group of glycine in aqueous solution.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2011

Number of the records: 1