Ethanol enhances collective dynamics of lipid membranes.
نویسندگان
چکیده
From inelastic neutron-scattering experiments and all atom molecular dynamics simulations we present evidence for a low-energy dynamical mode in the fluid phase of a 1,2-dimyristoyl-sn-glycero-3-phoshatidylcholine (DMPC) bilayer immersed in a 5% water/ethanol solution. In addition to the well-known phonon that shows a liquidlike dispersion with energies up to 4.5 meV, we observe an additional mode at smaller energies of 0.8 meV, which shows little or no dispersion. Both modes show transverse properties and might be related to molecular motion perpendicular to the bilayer.
منابع مشابه
Partitioning of ethanol in multi-component membranes: effects on membrane structure.
The molecular mechanism of ethanol and its effects on neurological function is far from clear. In this study, we investigate the effects of ethanol on various structural and dynamical properties of mixed bilayers consisting of different ratios of dipalmitoylphosphatidylcholine (DPPC), sphingomyelin (SM) and cholesterol that are typical constituents of neural cell membranes (Calderon et al., 199...
متن کاملAspirin locally disrupts the liquid-ordered phase
Local structure and dynamics of lipid membranes play an important role in membrane function. The diffusion of small molecules, the curvature of lipids around a protein and the existence of cholesterol-rich lipid domains (rafts) are examples for the membrane to serve as a functional interface. The collective fluctuations of lipid tails, in particular, are relevant for diffusion of membrane const...
متن کاملNuclear Overhauser enhancement spectroscopy cross-relaxation rates and ethanol distribution across membranes.
Measurement of nuclear Overhauser enhancement spectroscopy cross-relaxation rates between ethanol and palmitoyloleoylphosphatidylcholine bilayers was combined with atomic-level molecular dynamics simulations. The molecular dynamics trajectories yielded autocorrelation functions of proton dipole-dipole interactions, and, consequently, relaxation times and cross-relaxation rates. These analyses a...
متن کاملHydrophobic aggregation and collective absorption of dioxin into lipid membranes: insights from atomistic simulations.
Dioxins are a highly toxic class of chlorinated aromatic chemicals. They have been extensively studied, but several molecular-level details of their action are still missing. Here we present molecular dynamics simulations of their absorption and diffusion through cell membranes. We show that, due to their hydrophobic character, dioxins can quickly penetrate into a lipid membrane, both as single...
متن کاملExploring gas permeability of lipid membranes using coarse-grained molecular dynamics
Molecular transport through biological membranes occurs in a range of interesting processes. To understand basic permeation functions of a biomembrane, we have carried out molecular dynamics (MD) simulations using dipalmitoylphosphatidylcholine (DPPC) as the bilayer membrane. By reducing the degrees of freedom and employing suitable potentials, a coarse-grained (CG) model can provide direct ins...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Physical review. E, Statistical, nonlinear, and soft matter physics
دوره 83 5 Pt 1 شماره
صفحات -
تاریخ انتشار 2011