title: Molecular structure of the dioctadecyldimethylammonium bromide (DODAB) bilayer.
abstract: Dioctadecyldimethylammonium bromide (DODAB) is a double-chained quaternary ammonium surfactant that assembles in water into bilayer structures. This letter reports the molecular dynamics (MD) computer simulations of the DODAB bilayer at 25 °C. The simulations show that the surfactant membrane arranges spontaneously into the rippled phase (P(β)(')) at that temperature. The ordering within the chain fragment closest to the hydrophilic head (carbon atoms 1-5) is relatively low. It grows significantly for the carbon atoms located in the center of the membrane (atoms 6-17). The C6-C17 chain fragments are well aligned and tilted by ca. 15° with respect to the bilayer normal.
authors.affiliation: Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków, Poland. jamroz@chemia.uj.edu.pl
authors.forename: Dorota
authors.initials: D
authors.lastname: Jamróz
authors.forename: Mariusz
authors.initials: M
authors.lastname: Kepczynski
authors.forename: Maria
authors.initials: M
authors.lastname: Nowakowska