Electrical analysis of cell membrane poration induced by an intense nanosecond pulsed electric field, using an atomistic-to-continuum method

Pulsed electric fields of nanosecond duration and high intensity (in the megavolt-per-meter range) have the ability to trigger functional modifications in biological cells, without irreversible disruption of the cell membranes. Although the biophysical mechanisms underlying the induced biological effects are not yet clear, promising applications have been found in biology, medicine and environment. Applications in medicine include cancer treatment, acceleration of wound healing or pain control. Transient nanometer-sized pores are believed to form on a nanosecond time scale in cell membranes exposed to high-intensity nanosecond pulsed electric fields. Direct observation of pore creation has not yet been achieved due to the involved spatiotemporal scales and the experimental constraints. In this study, we combine molecular dynamics (MD) simulations and a quasi-static approach using a custom implementation of the 3D finite-difference method to investigate the interactions that drive pore formation in cell membranes exposed to an intense nanosecond pulsed electric field. The developed method allows to compute and map at cell membranes the 3D spatiotemporal profiles of the electric potentials, electric fields and electric field gradients with atomistic details and subnanosecond dynamics.