论文和技术资料

We simulated the diffusion of calcium ions through a nanopore created in the cell membrane by electroporation, in presence and absence of the external electric field responsible of the membrane permeabilization. First we solved the set of coupled differential equations that describe the process of ionic diffusion in a 2D nanopore model using the AC/DC Module and the Transport of Diluted Species interface, and then we carried out a simulation of the stochastic molecular dynamics of the calcium ions in the nanopore using LiveLink™ for MATLAB®. Finally we compared the results obtained in both simulations. We found a difference of about one order of magnitude in the values of the ionic flux in the nanopore, while the qualitative description of the diffusion process evolution was similar in both cases.