Geometric and thermodynamic properties of a direct micelle (TDDNO) in water are discussed by using molecular dynamics (MD) simulations. It is shown that the application of a homogeneous electric field doesn't produce a relevant micelle conformational change but determines a significant variation in water density profile when moving from the inside of the micelle to the bulk environment, essentially due to a rearrangement of the water molecules near the lipid polar heads
Molecular Simulations of Micellar Carriers in Presence of High Intense Electric Fields / Marracino, Paolo; Apollonio, Francesca; Liberti, Micaela; D'Inzeo, Guglielmo; A., Amadei; M., Aschi; DI NOLA, Alfredo. - STAMPA. - (2009), pp. 787-789. (Intervento presentato al convegno 9th IEEE Conference on Nanotechnology (IEEE-NANO) tenutosi a Genoa, ITALY nel JUL 26-30, 2009).
Molecular Simulations of Micellar Carriers in Presence of High Intense Electric Fields
MARRACINO, PAOLO;APOLLONIO, Francesca;LIBERTI, Micaela;D'INZEO, Guglielmo;DI NOLA, Alfredo
2009
Abstract
Geometric and thermodynamic properties of a direct micelle (TDDNO) in water are discussed by using molecular dynamics (MD) simulations. It is shown that the application of a homogeneous electric field doesn't produce a relevant micelle conformational change but determines a significant variation in water density profile when moving from the inside of the micelle to the bulk environment, essentially due to a rearrangement of the water molecules near the lipid polar headsI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
