Related papers: From Structure to Function in Open Ionic Channels
Lower speed impinging ions (with hydration shells) cannot transverse ion channels once internal charge goes positive. Yet neural pulse waveforms fail to show the expected risetime distortion beginning at zero voltage. Observed waveforms…
We introduce a model for ionic electrodiffusion and osmotic water flow through cells and tissues. The model consists of a system of partial differential equations for ionic concentration and fluid flow with interface conditions at deforming…
The electric double layer (EDL) that forms at the interface between metals and ionic solutions is at the heart of various energy technologies. Recent experimental data have challenged our traditional understanding of the EDL charging…
We revisit the theory of ion transport in parallel-plate channels and also discuss how the wettability of a solid and the mobility of adsorbed surface charges impact the transport of ions. It is shown that depending on the ratio of the…
Some essential features of the ion plasma wave in both kinetic and fluid descriptions are presented. The wave develops at wavelengths shorter than the electron Debye radius. Thermal motion of electrons at this scale is such that they…
Dynamical and statistical behavior of the ionic particles in dissolved salts have long been known, but their hydration shells still raise unsettled questions. We engineered a ``diffusion tunnel diode" that is structurally analogous to the…
The concept of chemical bonding can ultimately be seen as a rationalization of the recurring structural patterns observed in molecules and solids. Chemical intuition is nothing but the ability to recognize and predict such patterns, and how…
The mechanism allowing a protein to search of a target sequence on DNA is currently described as an intermittent process composed of 3D diffusion in bulk and 1D diffusion along the DNA molecule. Due to the relevant charge of protein and…
The simulation of open molecular systems requires explicit or implicit reservoirs of energy and particles. Whereas full atomistic resolution is desired in the region of interest, there is some freedom in the implementation of the…
A new computational method is presented for study suspensions of charged soft particles undergoing fluctuating hydrodynamic and electrostatic interactions. The proposed model is appropriate for polymers, proteins and porous particles…
This work is concerned with the development of a well-founded, theoretically justified, and least complicated metric for the classification of proteins with reference to enzymes. As the signature of an enzyme family, a catalytic domain is…
The common description of the electrical behavior of a nematic liquid crystal as an anisotropic dielectric medium with (weak) ohmic conductivity is extended to an electrodiffusion model with two active ionic species. Under appropriate, but…
In this paper we consider two problems in diagnostics of trapped ion crystals in which an analysis of the ions' collective oscillatory motion yield potentially useful results. When one of the ions in a linear crystal undergoes a collision,…
We have studied the dynamics of chloride and potassium ions in the interior of the OmpF porin under the influence of an external electric field. From the results of extensive all-atom molecular dynamics simulations of the system we computed…
Periodic configurations of electrodes, in particular of microelectrodes, have been of interest since the advent of microfabrication. In this report, theory which is common to any periodic cell (or any cell that can be extended periodically)…
We investigate structural and thermodynamic properties of aqueous dispersions of ionic microgels -- soft colloidal gel particles that exhibit unusual phase behavior. Starting from a coarse-grained model of microgel macroions as charged…
The statistical-mechanical study of the equilibrium properties of fluids, starting from the knowledge of the interparticle interaction potential, is essential to understand the role that microscopic interaction between individual particles…
The diffusive transport of biased Brownian particles in a two-dimensional symmetric channel is investigated numerically considering both the no-flow and the reflection boundary conditions at the channel boundaries. Here, the geometrical…
In aqueous solutions, dissolved ions interact strongly with the surrounding water, thereby modifying the solution properties in an ion-specific manner. These ion-hydration interactions can be accounted for theoretically on a mean-field…
The opening rate of voltage-gated potassium ion channels exhibits a characteristic, knee-like turnover where the common exponential voltage-dependence changes suddenly into a linear one. An explanation of this puzzling crossover is put…