Title :
Molecular simulations of micellar carriers in presence of high intense electric fields
Author :
Marracino, P. ; Apollonio, F. ; Liberti, M. ; D´Inzeo, G.D. ; Amadei, A. ; Aschi, M. ; Di Nola, A.
Author_Institution :
Dept. of Electron. Eng., Univ. of Rome Sapienza, Rome, Italy
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 heads.
Keywords :
colloids; lipid bilayers; molecular dynamics method; thermodynamic properties; geometric properties; high intense electric fields; lipid polar heads; micellar carriers; molecular dynamics simulations; thermodynamic properties; water density profile; Atomic measurements; Biomembranes; Chemical engineering; Chemistry; Drug delivery; Electromagnetic fields; Electrons; Lipidomics; Quantum computing; Quantum mechanics; component; electromagnetic fields; micelles; molecular simulations;
Conference_Titel :
Nanotechnology, 2009. IEEE-NANO 2009. 9th IEEE Conference on
Conference_Location :
Genoa
Print_ISBN :
978-1-4244-4832-6
Electronic_ISBN :
1944-9399
