The role of water coordination in binary mixtures. A study of two model amphiphilic molecules in aqueous solutions by molecular dynamics and NMR

Two binary aqueous mixtures containing small amphiphilic molecules TMAO (trimethylamine-N-oxide) and TBA (tert-butyl alcohol) are investigated. TMAO is osmolyte while TBA is a monohydrate alcohol and both possess bulky hydrophobic groups and polar heads namely, NO, in TMAO and OH in TBA.