Related papers: Uncertainty Quantification of Bacterial Microcompa…
On exposure to 1,2-propanediol (1,2-PD), Salmonella enterica serovar Typhimurium LT2 produces 1,2-PD utilization (Pdu) microcompartments (MCPs), nanoscale protein-bound shells that encapsulate metabolic enzymes. MCPs serve as a…
We propose a theoretical approach to estimate the permeability coefficient of substrates (permeants) for crossing membranes from donor (D) phase to acceptor (A) phase by means of molecular dynamics (MD) simulation. A fundamental aspect of…
Bimodal cellular poly(methyl methacrylate) with micron and nano sized (300 to 500 nm) cells with up to 5 weight percent of sepiolite nanoparticles and porosity from 50 weight percent to 75 weight percent are produced by solid state foaming.…
Biomolecular condensates organize biochemical processes by spatially concentrating molecules while allowing for dynamic exchange with their surroundings. However, transport across their interface can be strongly attenuated, leading to…
Microplastics (MPs), though less dense than water, are frequently recovered from sediments in aqueous environments, indicating they can cross the buoyancy barrier. We quantify eco-corona mediated MP-sediment attraction and MP transport from…
In fluid transport across nanopores, there is a fundamental dissipation that arises from the connection between the pore and the macroscopic reservoirs. This entrance effect can hinder the whole transport in certain situations, for short…
The formation of soluble hydrogen-bonding interpolymer complexes between poly(acrylic acid) (PAA) and poly(acrylic acid-co-2-acrylamido-2-methyl-1-propane sulfonic acid)-graft-poly(N, N dimethylacrylamide) (P(AA-co-AMPSA)-g-PDMAM) at pH =…
The two-step percolation behavior in aggregating systems was studied both experimentally and by means of Monte Carlo (MC) simulations. In experimental studies, the electrical conductivity, $\sigma$, of colloidal suspension of multiwalled…
Complex organic molecules serve as indicators of molecular diversity. Their detection on comets, planets, and moons has prompted inquiries into their origins, particularly the conditions conducive to their formation. One hypothesis suggests…
Unraveling the relation between the chemical structure of small drug-like compounds and their rate of passive permeation across lipid membranes is of fundamental importance for pharmaceutical applications. The elucidation of a comprehensive…
Electrical conductivity is an inherent property of a hydrophobic porous media (HPM) and has critical applications. This research aims to provide a solution for predicting the electrical conductivity of nanoscale HPM with heterogeneous pore…
Removing hazardous particulate and macromolecular contaminants as well as viruses with sizes from a few nm up to the 100-nm-range from water and air is crucial for ensuring sufficient sanitation and hygiene for a growing world population.…
Hypothesis: We test whether the wettability of nanoparticles (NPs) straddling at an air/water surface or oil/water interface can be extrapolated from sessile drop-derived macroscopic contact angles (mCAs) on planar substrates, assuming that…
Efficient and sustainable techniques for separating water-methanol mixtures are in high demand in the industry. Recent studies have revealed that membranes and 2D materials could achieve such separation. In our research, we explore the…
Electrically conducting polymers with mechanical adaptability are essential for flexible electronics, yet most suffer structural degradation under rapid deformation. In this study, multiscale coarse-grained (MSCG) simulations are used to…
Permeability measured on three samples in a triaxial cell under effective confining pressure from 0.2 to 2.5 MPa ranges from 10E-18 to 10E-19m2. Overall, results indicate that permeability decreases with effective confining pressure up to…
We present a neutron scattering analysis of the density and the static structure factor of confined methanol at various temperatures. Confinement is performed in the cylindrical pores of MCM-41 silicates with pore diameters D=24 angstrom…
Explicit molecular dynamics simulations were applied to a pair of amorphous silica nanoparticles in aqueous solution, of diameter 4.4 nm with four different background electrolyte concentrations, to extract the mean force acting between the…
Numerical modeling of proton exchange membrane fuel cells is at the verge of becoming predictive. A crucial requisite for this, though, is that material properties of the membrane-electrode assembly and their functional dependence on the…
In this paper we derive a pore-scale model for permeable biofilm formation in a two-dimensional pore. The pore is divided in two phases: water and biofilm. The biofilm is assumed to consist of four components: water, extracellular polymeric…