We perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either...

Material extrusionbased additive manufacturing (ME-AM) has been recently adopted by the pharmaceutical field as a potential method for decentralised small-batch of personalised solid dosage forms. The unique advantage ME-AM is ability to implement wide range micro-scale internal structures within form that can be used manipulate drug release kinetics. However, currently, there no fundamental un...

In this study, we simulate the electrophoretic motion of a bio-polymer through a synthetic nanopore in the presence of an external bias voltage by considering the hydrodynamic interactions between the polymer and the fluid explicitly. The motion of the polymer is simulated by 3D Langevin dynamics technique by modeling the polymer as a worm-like-chain, while the hydrodynamic interactions are inc...

We analyze a model for polymerization at catalytic sites distributed within parallel linear pores of a mesoporous material. Polymerization occurs primarily by reaction of monomers diffusing into the pores with the ends of polymers near the pore openings. Monomers and polymers undergo single-file diffusion within the pores. Model behavior, including the polymer length distribution, is determined...

We have studied the occurrence of stochastic resonance when a flexible polymer chain undergoes a single-file translocation through a nano-pore separating two spherical cavities, under a time-periodic external driving force. The translocation of the chain is controlled by a free energy barrier determined by chain length, pore length, pore-polymer interaction, and confinement inside the donor and...

In the present study, an extended two-pore theory is presented where the porous pathways are continuously distributed according to small- and large-pore mean radii and SDs. Experimental glomerular sieving data for Ficoll were analyzed using the model. In addition, several theoretical findings are presented along with analytic solutions to many of the equations used in distributed pore modeling....

Backscatter SEM imaging and small-angle neutron scattering (SANS) data are combined within a statistical framework to quantify the microstructure of a porous solid in terms of a continuous pore-size distribution spanning over five orders of magnitude of length scale, from 10 A to 500 microm. The method is demonstrated on a sample of natural sandstone and the results are tested against mercury p...

For a series of metal-organic frameworks with rht topology, we study computationally the effect of the linker length on the surface area, pore size, and pore volume, relating them with the hydrogen adsorption properties. The results provide new insights about the excess capacities and the pressures where the uptake maxima in the excess isotherms occur. We found that, of the materials studied, ...

Multi-domain voltage-gated ion channels appear to have evolved through sequential rounds of intragenic duplication from a primordial one-domain precursor. Whereas modularity within one-domain symmetrical channels is established, little is known about the roles of individual regions within more complex asymmetrical channels where the domains have undergone substantial divergence. Here we isolate...

The partitioning of polypeptides into nanoscale transmembrane pores is of fundamental importance in biology. Examples include protein translocation in the endoplasmic reticulum and the passage of proteins through the nuclear pore complex. Here we examine the exchange of cationic alpha-helical peptides between the bulk aqueous phase and the transmembrane beta-barrel of the alpha-hemolysin (alpha...