Nanopore Formation and Phosphatidylserine Externalization in a Phospholipid Bilayer at High Transmembrane Potential

Abstract

Atomic-resolution molecular dynamics simulations of lipid bilayers containing 7% phosphatidylserine (PS) on one leaflet are consistent with experimental observations of membrane poration and PS externalization in living cells exposed to nanosecond, megavolt-per-meter electric pulses. Nanometer-diameter aqueous pores develop within nanoseconds after application of an electric field of 450 mV/nm, and electrophoretic transport of the anionic PS headgroup along the newly constructed hydrophilic pore surface commences even while pore formation is still in progress.

Effects of nanosecond pulsed electric field exposure on arabidopsis thaliana

“…The displacement current can charge intracellular membranes and affect cell organelles. There is a broad variety of responses of mammalian cells to ns pulsed electric field exposition [13] such as the intracellular calcium release [14,15], phosphatidylserine externalization [16] and DNA damage [17]. A promising application of nsPEFs is the killing of melanoma cells [18].…”

High-Order Quadratures for the Solution of Scattering Problems in Two Dimensions

“…A different, more recently implemented architecture for both aeronautical combustion and biological applications uses resonant charging, magnetic compression, and a diode opening switch for pulse sharpening ( Figure 2). [17,31,40], intracellular calcium release [1], chromatin changes (Figure 3), and diagnostic indicators of apoptosis like caspase activation, PARP cleavage, nuclear condensation, and loss of mitochondrial membrane potential [37]. These phenomena have been observed in our laboratories in living cells during pulse exposures in microfabricated electrode chambers [39] and in electroporation cuvettes.…”

“…Molecular dynamics (MD) and micro-and macroscale modeling with field solvers and electrical circuit representations can be used profitably to create simulations for consistency checks and verification of proposed nanoelectropulse perturbation mechanisms, and to generate hypotheses for testing with available laboratory resources. In order to identify the molecular mechanisms operative on a nanosecond time scale during electroporation of phospholipid bilayers, for example, MD simulations of phospholipid bilayers in high electric fields can suggest details of electroporation kinetics and dynamics not directly accessible by experiment [30,31].…”

Recent development in computer simulations of lipid bilayers

“…Electric fields can induce pore formation and other structural defects in lipid membranes. The mechanism of pore formation by direct MD simulations of 18:1(n-9)cis/18:1(n-9)cis PC bilayers with applied electric fields of different strengths is investigated in 123 , that of asymmetric membranes 18:1(n-9)cis/18:1(n-9)cis PC -18:1(n-9)cis/18:1(n-9)cis PS is studied in 125,212 .…”