Related papers: Molecular motions in lipid bilayers studied by the…
Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray and neutron diffraction at low temperatures. We are thus able to report the first complete sets of both X-ray and neutron weighted total scattering…
The present work deals with the formal description of the response to neutrons of heteronuclear diatomic liquids, with special interest in the case of hydrogen deuteride as a possible candidate for the moderation process required in the…
Small-angle neutron scattering (SANS) from cationic globular micellar solutions composed of sodium dodecyl sulfate (SDS) and in water was studied with contrast variation approach. Extensive computational studies have demonstrated that the…
Swimming micro-organisms such as flagellated bacteria and sperm cells have fascinating locomotion capabilities. Inspired by their natural motion, there is an ongoing effort to develop artificial robotic nano-swimmers for potential in-body…
We present a new approach to carry out non-adiabatic molecular dynamics to study the carrier mobility in an organic monolayer. This approach allows the calculation of a 4802 atom system for 825 fs in about three hours using 51,744 computer…
Pd43Ni10Cu27P0 has been investigated in its equilibrium liquid state with incoherent, inelastic neutron scattering. As compared to simple liquids, liquid PdNiCuP is characterized by a dense packing with a packing fraction above 0.5. The…
Bio-conjugated nanomaterials play a promising role in the development of novel supramolecular structures, molecular machines, and biosensing devices. In this study, lipid-conjugated gold nanoparticles were synthesized and allowed to form a…
Demixing of binary fluids subjected to slow temperature ramps shows repeated waves of nucleation which arise as a consequence of the competition between generation of supersaturation by the temperature ramp and relaxation of supersaturation…
We introduce a microscopic model of a lipid with a charged headgroup and flexible hydrophobic tails, a neutral solvent, and counter ions. Short-ranged interactions between hydrophilic and hydrophobic moieties are included as are the Coulomb…
The mean-square displacement (MSD) was measured by neutron scattering at various temperatures and pressures for a number of molecular glass-forming liquids. The MSD is invariant along the glass-transition line at the pressure studied, thus…
Cholesterol (CHOL) is one of the most important components of plasma membranes of higher cells and one of the main factors for the formation of (nano)domains. In this work, molecular dynamics simulations of mixtures of CHOL with DPPC…
The density and orientational relaxation of bulk water can be separately studied by depolarized light scattering (DLS) and dielectric spectroscopy (DS), respectively. Here we ask the question of what are the leading collective modes…
A recent paper by Zeidler et al. (PRL 107, 144501 (2011)) describes a neutron scattering experiment on water in which oxygen isotope substitution is successfully achieved for the first time. Differences between scattering patterns with…
An accurate description of the structure and dynamics of interfacial water is essential for phospholipid membranes, since it determines their function and their interaction with other molecules. Here we consider water confined in stacked…
We present a neutron spin echo study (NSE) of the nanosecond dynamics of polyethylene glycol (PEG) functionalised nanosized gold particles dissolved in D$_2$O at two temperatures and two different PEG molecular weights. The analysis of the…
The Heimburg-Jackson model, or thermodynamic soliton theory of nervous impulses, has a well-established record as an alternative model for studying the dynamics of nerve impulses and lipid bilayers. Within this framework, nerve impulses can…
The neutron and proton scattering with either deuteron or stable alpha particle can be modeled as a two particle system. In this paper, using Morse function as reference potential, inverse potentials have been computationally constructed…
This study investigates the interplay between Strong Coupling (SC) attraction and hydration repulsion in nanoconfined water between like-charged phospholipid layers. It challenges the assumption that SC attraction requires multivalent…
In this paper, we prove the convergence from the atomistic model to the Peierls--Nabarro (PN) model of two-dimensional bilayer system with complex lattice. We show that the displacement field of the dislocation solution of the PN model…
Extensive microscopic molecular dynamics simulations have been performed to study the effects of short-chain alcohols, methanol and ethanol, on two different fully hydrated lipid bilayer systems in the fluid phase at 323 K. It is found that…