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Chemical Science Vol - 6 Issue - 5

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Hydration of guanidinium depends on its local environment

Content Provider	Royal Society of Chemistry (RSC)
Author	Cooper, Richard J. Heiles, Sven DiTucci, Matthew J. Williams, Evan R.
Copyright Year	2015
Abstract	Hydration of gaseous guanidinium (Gdm+) with up to 100 water molecules attached was investigated using infrared photodissociation spectroscopy in the hydrogen stretch region between 2900 and 3800 cm−1. Comparisons to IR spectra of low-energy computed structures indicate that at small cluster size, water interacts strongly with Gdm+ with three inner shell water molecules each accepting two hydrogen bonds from adjacent NH2 groups in Gdm+. Comparisons to results for tetramethylammonium (TMA+) and Na+ enable structural information for larger clusters to be obtained. The similarity in the bonded OH region for Gdm(H2O)20+vs. Gdm(H2O)100+ and the similarity in the bonded OH regions between Gdm+ and TMA+ but not Na+ for clusters with <50 water molecules indicate that Gdm+ does not significantly affect the hydrogen-bonding network of water molecules at large size. These results indicate that the hydration around Gdm+ changes for clusters with more than about eight water molecules to one in which inner shell water molecules only accept a single H-bond from Gdm+. More effective H-bonding drives this change in inner-shell water molecule binding to other water molecules. These results show that hydration of Gdm+ depends on its local environment, and that Gdm+ will interact with water even more strongly in an environment where water is partially excluded, such as the surface of a protein. This enhanced hydration in a limited solvation environment may provide new insights into the effectiveness of Gdm+ as a protein denaturant.
Starting Page	3420
Ending Page	3429
Page Count	10
File Format	HTM / HTML PDF
ISSN	20416520
Volume Number	6
Issue Number	6
Journal	Chemical Science
DOI	10.1039/c5sc00618j
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Subscribed
Subject Keyword	Infrared spectroscopy Spectroscopy Quaternary ammonium cation Properties of water Guanidine Interaction Denatured alcohol TMA Photodissociation Protein Solvation Hydrogen bond Trimethoxyamphetamine
Content Type	Text
Resource Type	Article
Subject	Chemistry

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Hydration of guanidinium depends on its local environment

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