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

fYear

2009

fDate

26-30 July 2009

Firstpage

787

Lastpage

789

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;

fLanguage

English

Publisher

ieee

Conference_Titel

Nanotechnology, 2009. IEEE-NANO 2009. 9th IEEE Conference on

Conference_Location

Genoa

ISSN

1944-9399

Print_ISBN

978-1-4244-4832-6

Electronic_ISBN

1944-9399

Type

conf

Filename

5394718