Interaction of Zwitterionic Osmolyte Trimethylamine N-oxide (TMAO) with Molecular Hydrophobes: An Interplay of Hydrophobic and Electrostatic Interactions

Autor:	Animesh Patra, Dipak K. Palit, Jahur A. Mondal, Subhadip Roy
Rok vydání:	2021
Předmět:	Tetramethylammonium Aqueous solution Trimethylamine Trimethylamine N-oxide Surfaces Coatings and Films Hydrophobe Hydrophobic effect chemistry.chemical_compound symbols.namesake chemistry Polymer chemistry Materials Chemistry symbols Moiety Physical and Theoretical Chemistry van der Waals force
Zdroj:	The Journal of Physical Chemistry B. 125:10939-10946
ISSN:	1520-5207 1520-6106
Popis:	Interaction of trimethylamine N-oxide (TMAO) with charged/uncharged moieties of proteins and lipids is an important elementary step toward the multifaceted biofunctions of TMAO. Using minimum area Raman difference spectroscopy (MA-RDS) of aqueous TMAO (1.0 M) in the presence of deuterated molecular hydrophobes (e.g., deuterated tetramethylammonium cation (d-TMA+) and tert-butylalcohol (d-TBA)), we show that TMAO exhibits two distinct motifs of interaction with the cationic (d-TMA+) and uncharged (d-TBA) hydrophobes. Specifically, the trimethylammonium moiety of TMAO undergoes van der Waals attraction with the tert-butyl group of d-TBA, which is governed by their mutual hydrophobic interaction with water. This makes their methyl groups less exposed to water. In contrast, for the cationic hydrophobe (d-TMA+), TMAO interacts electrostatically via its negatively charged-oxygen, which in turn orients the TMAO-methyls away from the hydrophobe (d-TMA+), keeping them exposed to water.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4e234efdabec761aab37d51b007ced11 https://doi.org/10.1021/acs.jpcb.1c05694 Zobrazit plný text záznamu