Molecular Dynamics Interactions between Silicon Electrodes and Phospholipids (CROSBI ID 594210)
Prilog sa skupa u časopisu | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Levine, Zachary A. ; Ivošević DeNardis, Nadica ; Vernier, P.Thomas
engleski
Molecular Dynamics Interactions between Silicon Electrodes and Phospholipids
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.
phospholipids; silicon electrode; molecualr dynamics simulation
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Podaci o prilogu
334a-334a.
2013.
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objavljeno
Podaci o matičnoj publikaciji
Biophysical journal
0006-3495
Podaci o skupu
Biophysical Society, 57th Annual Meeting
poster
02.02.2013-06.02.2013
Philadelphia (PA), Sjedinjene Američke Države