Permanent charge effects on ionic diffusion
Organizers
Speaker
Weishi Liu
Time
Tuesday, October 15, 2024 9:00 AM - 10:30 AM
Venue
Online
Online
Zoom 518 868 7656
(BIMSA)
Abstract
Permanent charge (mathematical model for protein structure) is the most important structure of an ion channel and is the major controller for properties of ionic flows through the ion channel. Other important factors for ionic flow specifics include boundary conditions. In this talk, we will report our studies on interplays between permanent charge and boundary conditions on ionic flow via a quasi-one-dimensional Poisson-Nernst-Planck (PNP) model.
For ionic mixtures with one cation (positively charged) species and one anion (negatively charged) species, a fairly rich behavior of permanent charge effects has been revealed from rigorous analyses based on a geometric framework for PNP and from numerical simulations guided by the analytical results. For ionic mixtures with three ion species: two cations and one anion, richer behavior is expected and our preliminary analysis and case studies identify, in concrete manner, a number of these, including some surprising ones.
For ionic mixtures with one cation (positively charged) species and one anion (negatively charged) species, a fairly rich behavior of permanent charge effects has been revealed from rigorous analyses based on a geometric framework for PNP and from numerical simulations guided by the analytical results. For ionic mixtures with three ion species: two cations and one anion, richer behavior is expected and our preliminary analysis and case studies identify, in concrete manner, a number of these, including some surprising ones.