Naslov
Molecular Dynamics Interactions between Silicon Electrodes and Phospholipids

Autori
Levine, Zachary A. ; Ivošević DeNardis, Nadica ; Vernier, P.Thomas

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Abstracts of the Biophysical Society 57th Annual Meeting, Philadelphia, PA, USA ; u Biophysical Journal 104 (2) S1, 334a-334a / - , 2013, 334a-334a

Skup
Biophysical Society 57th Annual Meeting

Mjesto i datum
Philadelphia (PA), Sjedinjene Američke Države, 02.02.2013. - 06.02.2013

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
adsorption; phospholipids; silicon electrode; molecualr dynamics simulation
(phospholipids; silicon electrode; molecualr dynamics simulation)

Sažetak
In experiments involving the application of an external electric field to a biological system, the field is assumed to be uniform and isotropic far from the electrode interface, but adsorption of ions and molecules directly at the interface can complicate the structure of the charged double-layer. Reaction-kinetic models of lipid vesicle adhesion have utilized continuum parameters such as the rate of lipid monolayer formation and corresponding charge displacement. Experiments have suggested that vesicle lipid composition strongly affects the rates of lipid monolayer formation, but no atomically detailed studies have been conducted. To fill this gap we have run molecular dynamics simulations on POPS, POPC, and octane at the charged silicon interface to investigate the conformation, orientation, kinetics, and energetics of charged and uncharged molecules, respectively. This allows for direct comparisons between rates cited in the literature to those obtained in simulations, and provides researchers with additional per-molecule energetics which will further characterize lipid adhesion mechanisms near a charged interface.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Geologija, Kemija

POVEZANOST RADA