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1.
J Phys Chem B ; 119(29): 9319-34, 2015 Jul 23.
Artículo en Inglés | MEDLINE | ID: mdl-25289837

RESUMEN

The electric potential difference across cell membranes, known as the membrane potential, plays an important role in the activation of many biological processes. To investigate the effect of the membrane potential on the molecular ordering of lipids within a biomimetic membrane, a self-assembled monolayer of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine (SOPC) lipids at an electrified 1,2-dichloroethane/water interface is studied with X-ray reflectivity and interfacial tension. Measurements over a range of electric potential differences, -150 to +130 mV, that encompass the range of typical biomembrane potentials demonstrate a nearly constant and stable structure whose lipid interfacial density is comparable to that found in other biomimetic membrane systems. Measurements at higher positive potentials, up to 330 mV, illustrate a monotonic decrease in the lipid interfacial density and accompanying variations in the interfacial configuration of the lipid. Molecular dynamics simulations, designed to mimic the experimental conditions, show that the measured changes in lipid configuration are due primarily to the variation in area per lipid with increasing applied electric field. Rotation of the SOPC dipole moment by the torque from the applied electric field appears to be negligible, except at the highest measured potentials. The simulations confirm in atomistic detail the measured potential-dependent characteristics of SOPC monolayers. Our hybrid study sheds light on phospholipid monolayer stability under different membrane potentials, which is important for understanding membrane processes. This study also illustrates the use of X-ray surface scattering to probe the ordering of surfactant monolayers at an electrified aqueous-organic liquid-liquid interface.


Asunto(s)
Dicloruros de Etileno/química , Potenciales de la Membrana , Membranas Artificiales , Fosfatidilcolinas/química , Agua/química , Fenómenos Electromagnéticos , Luz , Simulación de Dinámica Molecular , Rotación , Dispersión de Radiación , Propiedades de Superficie , Torque , Rayos X
2.
J Chem Phys ; 140(10): 104704, 2014 Mar 14.
Artículo en Inglés | MEDLINE | ID: mdl-24628193

RESUMEN

We use classical molecular dynamics simulations to study nanofluidic properties of porous carbon nanotubes. We show that saturated water vapor condenses on the porous nanotubes, can be absorbed by them and transported in their interior. When these nanotubes are charged and placed in ionic solutions, they can selectively absorb ions in their interior and transport them. Porous carbon nanotubes can also be used as selective molecular sieves, as illustrated on a room temperature separation of benzene and ethanol.

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