title: Structural water drives self-assembly of organic rosette nanotubes and holds host atoms in the channel.
abstract: We reveal how water solvent determines the self-assembly pathway and stability of organic rosette nanotubes (RNTs) and show their possible functions, using three-dimensional molecular theory of solvation (a.k.a. 3D-RISM). Structural water molecules penetrate the pockets on the RNT outer surface, form a wetting monolayer in the RNT channel and bridge RNT rosettes. We predict that the inner water shell might stabilize rare gas atoms inside the RNT channel, and envision molecular devices with RNT channels transporting water or holding guest molecules for targeted delivery.
authors.affiliation: National Institute for Nanotechnology, 11421 Saskatchewan Dr., Edmonton, Alberta, T6G 2M9, Canada.
authors.forename: Takeshi
authors.initials: T
authors.lastname: Yamazaki
authors.forename: Hicham
authors.initials: H
authors.lastname: Fenniri
authors.forename: Andriy
authors.initials: A
authors.lastname: Kovalenko
mesh_terms: D000327:Adsorption; D008956:Models, Chemical; D008958:Models, Molecular; D043942:Nanotubes / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry; D055672:Static Electricity; D013499:Surface Properties; D014867:Water / Q000737:chemistry*
chemical_list: D012997:Solvents; D014867:Water