Abstract Ion channels are of major interest and form an area of intensive research in the fields of biophysics and medicine, since they control many vital physiological functions. The aim of this work is to propose a fully stochastic model describing the main characteristics of a multiple channel system, in which ion movement is coupled with a Poisson–Nernst–Planck equation. Exclusion forces ar...

The objective of this study is to evaluate whether the accumulation model developed by Zarfl et al. (2008) could be used to predict the minimal inhibitory concentration (MIC) of a group of antibacterial fluoroquinolones (FQs) for Escherichia coli (E. coli). Our model, which is based on the "Fick-Nernst-Planck" equation and the permeability of the neutral and charged species as well as the physi...

An explicit numerical model for the charge balancing ion transfer across monopolar ion exchange membranes under conditions of bioelectrochemical systems is presented. Diffusion and migration equations have been solved according to the Nernst-Planck Equation and the resulting ion concentrations, pH values and the resistance values of the membrane for different conditions were computed. The model...

We introduce the open source parameter estimation tool awkt. It is primarily aimed at assisting in the characterization and identification of globular proteins using capillary zone electrophoresis. The program untangles a proteins’ charge-to-size ratio by applying nonlinear least-squares optimization to a particular closed-form solution of the Nernst-Planck equation. Numerical estimates for the...

in this work, the results concerning to the mean activity coefficient measurements for nacl in the (glycerol + water) system using the potentiometric method are reported. the potentiometric measurements were performed on the galvanic cells without liquid junction of the type: ag|agcl|nacl (m), glycerol (wt%), h2o (1 - wt)%|na-ise, in various mixed solvent systems containing 0, 5, 10, 20 and 30 ...

Ionic diffusion coefficients in the membrane are needed for modelling of ion transport ion-exchange membranes (IEMs) with Nernst-Planck equation. We have determined ionic Na+, OH?, H+, Cl?, SO42?, NaSO4?, and HSO4? from experiments dilute NaCl, NaOH, HCl, Na2SO4, H2SO4 solutions through IEMs conductivity measured these solutions, using electrochemical impedance spectroscopy. The order fluxes ac...

A self-consistent solution is derived for the Poisson-Nernst-Planck (PNP) equation, valid both inside a biological ion channel and in the adjacent bidk fliud. An iterative procedure is used to match the two solutions together at the channel mouth. Charge fluctuations at the mouth are modeled as shot noise flipping the height of the potential barrier at the selectivity site. The residtant estima...

In this work, we leverage a mathematical model of the underlying physiochemical properties of tissues and physicochemical properties of molecules to support the development of hepatoselective glucokinase activators. Passive distribution is modeled via a Fick-Nernst-Planck approach, using in vitro experimental data to estimate the permeability of both ionized and neutral species. The model accou...

The Poisson Nernst-Planck equations for charge concentration and electric potential in a ball is a model of electro-diffusion of ions in the head of a neuronal dendritic spine. We study the relaxation and the steady state when an initial charge of ions is injected into the ball. The steady state equation is similar to the Liouville-Gelfand-Bratú-type equation with the difference that the bounda...