Trimethylamine N-oxide (TMAO) and tert-butyl alcohol (TBA) at hydrophobic interfaces : insights from molecular dynamics simulations

TMAO, a potent osmolyte, and TBA, a denaturant, have similar molecular architecture but somewhat different chemistry. We employ extensive molecular dynamics simulations to quantify their behavior at vapor-water and octane-water interfaces. We show that interfacial structure-density and orientation-a...

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Veröffentlicht in:	Langmuir : the ACS journal of surfaces and colloids. - 1992. - 29(2013), 25 vom: 25. Juni, Seite 8017-24
1. Verfasser:	Fiore, Andrew (VerfasserIn)
Weitere Verfasser:	Venkateshwaran, Vasudevan, Garde, Shekhar
Format:	Online-Aufsatz
Sprache:	English
Veröffentlicht:	2013
Zugriff auf das übergeordnete Werk:	Langmuir : the ACS journal of surfaces and colloids
Schlagworte:	Journal Article Research Support, U.S. Gov't, Non-P.H.S. Methylamines trimethyloxamine FLD0K1SJ1A tert-Butyl Alcohol MD83SFE959