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We present atomistic molecular dynamics results for fully hydrated bilayers composed of ceramide NS-24:0, free fatty acid 24:0 and cholesterol, to address the effect of the different components in the stratum corneum (the outermost layer of…
We use Metropolis Monte Carlo and umbrella sampling to calculate the free energies of interaction of two methane molecules and their charged derivatives in cylindrical water-filled pores. Confinement strongly alters the interactions between…
By evaporating a drop of lipid dispersion we generate the myelin morphology often seen in dissolving surfactant powders. We explain these puzzling nonequilibrium structures using a geometric argument: The bilayer repeat spacing increases…
Energy-saving cooling materials with strong operability are desirable towards sustainable thermal management. Inspired by the cooperative thermo-optical effect in fur of polar bear, we develop a flexible and reusable cooling skin via…
The spatial structure of the transition region between an insulator and an electrolyte solution was studied with x-ray scattering.The electron density profile across the n-hexane/silica sol interface (solutions with 5-nm, 7-nm, and 12-nm…
Monolayers of colloidal particles at oil-water interfaces readily crystalize owing to electrostatic repulsion, which is often mediated through the oil. However, little attempts exist to control it using oil-soluble electrolytes. We probe…
We report on the synthesis, characterization, stability and pharmacokinetics of novel iron based contrast agents for magnetic resonance imaging (MRI). Statistical copolymers combining multiple phosphonic acid groups and poly(ethylene…
The use of drugs derived from benzothiadiazine, which is a bicyclic heterocyclic benzene derivative, has become a widespread treatment for diseases such as hypertension (treated with diuretics such as bendroflumethiazide or chlorothiazide),…
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…
Entry of micro- or nano-sized objects into cells or vesicles made of lipid membranes occur in many processes such as entry of viruses in host cells, microplastics pollution, drug delivery or biomedical imaging. Here, we investigated the…
Contact inhibition is the process by which cells switch from a motile growing state to a passive and stabilized state upon touching their neighbors. When two cells touch, an adhesion link is created between them by means of transmembrane…
We report a molecular dynamics (MD) simulation study of reverse osmosis desalination using nanoporous monolayer graphene passivated by SiH$_2$ and Si(OH)$_2$ functional groups. A highly accurate and detailed polarizable molecular mechanics…
Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By controlling the ion parameters including mass, energy and…
Temperature controlled Polarization Modulation Near-Field Scanning Optical Microscopy (PM-NSOM) measurements of a single supported $L_{\beta^{\prime}}$ 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) lipid bilayer are presented. The…
The excimer formation dynamics of pyrene-labeled molecules in lipid bilayers depends on molecular motion over distances of the order of 1-2 nm. From the concentration dependence of the excimer photoemission curve, it is possible to derive a…
The low sliding friction of articular cartilage in the major joints , which is crucial for its homeostasis and for joint health, has been attributed to lipid bilayers forming lubricious boundary layers at its surface. The robustness of such…
First results on the interaction between the $\phi$-meson and the nucleon ($N$) are presented based on the ($2+1$)-flavor lattice QCD simulations with nearly physical quark masses. Using the HAL QCD method, the spacetime correlation of the…
In biomimetic and biological systems, interactions between surfaces are often mediated by adhesive molecules, nanoparticles, or colloids dispersed in the surrounding solution. We present here a general, statistical-mechanical model for two…
We describe the design of micropatterned surfaces for single cell studies, based on thermoresponsive polymer brushes. We show that brushes made of poly(N-isopropylacrylamide) grafted at high surface density display excellent protein and…
This work theoretically analyzes electronic ordering in AA-stacked bilayer graphene and the role of the Coulomb interaction in these many-body phenomena. Using the random phase approximation to account for screening, we find intra-layer…