Naslov
Phospholipid and hydrocarbon dynamics at charged interfaces

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

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

Izvornik
1st World Congress on Electroporation and Pulsed Electric Fields in Biology, Medicine and Food & Environmental Technology: Book of Abstracts / Miklavčić, Damijan ; Kramar, Peter ; Jarm, Tomaž - Ljubljana : Založba FE, 2015, 61-61

ISBN
978-961-243-284-3

Skup
1st World Congress on Electroporation and Pulsed Electric Fields in Biology, Medicine and Food & Environmental Technology

Mjesto i datum
Portorož, Slovenija, 06.09.2015. - 10.09.2015

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Adhesion; adsorption; charged interface; chronoamperometry; lipid aggregation; molecular dynamics simulations; phospholipids

Sažetak
In aqueous media, where a majority of biochemical processes occur, continuum electrostatic models describe externally applied electric fields that are uniform and well behaved far from the point of origin. However, perturbations at charged aqueous interfaces caused by the interaction of ions, organic molecules, vesicles, and cells significantly affect nearby electrochemical phenomena. Experiments have attempted to quantify interfacial interactions by measuring charge displacement current during nonspecific vesicle adhesion that could be mediated by specific interactions of positively charged phospholipid choline head groups with negatively charged electrodes. Experiments cannot directly validate these interactions at nanometer length scales ; therefore, we have run united-atom molecular dynamics simulations to observe how zwitterionic and anionic lipids, in addition to model hydrocarbons, change their conformations and binding kinetics in the vicinity of charged interfaces. This enables direct comparisons between the binding affinities measured in experiment to those obtained in simulations, while elucidating the interfacial interactions that facilitate lipid vesicle adhesion at charged interfaces. Moreover, the implementation of a charged interface in molecular dynamics simulations provides an advantageous alternative for the generation of large electric fields across phospholipid bilayers, especially in the presence of periodic boundary conditions, and may be useful for simulations of membrane electropermeabilization.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Geologija, Kemija

POVEZANOST RADA