biostudies-literatureUnknown16(3)Montes de Oca JMBasic Energy SciencesJanus, or two-sided, charged membranes offer promise as ionic current rectifiers. In such systems, pores consisting of two regions of opposite charge can be used to generate a current from a gradient in salinity. The efficiency of nanoscale Janus pores increases dramatically as their diameter becomes smaller. However, little is known about the underlying transport processes, particularly under experimentally accessible conditions. In this work, we examine the molecular basis for rectification in Janus nanopores using an applied electric field. Molecular simulations with explicit water and ions are used to examine the structure and dynamics of all molecular species in aqueous electrolyte solutions. For several macroscopic observables, the results of such simulations are consistent with expeACS nano3768-3775https://www.ebi.ac.uk/biostudies/studies/S-EPMC8945361biostudies-literatureIonic Transport in Electrostatic Janus Membranes. An Explicit Solvent Molecular Dynamic Simulation.PMC8945361Cordoba ADarling SBDhanasekaran JMontes de Oca JMde Pablo JJfalseIonic Transport in Electrostatic Janus Membranes. An Explicit Solvent Molecular Dynamic Simulation.Janus, or two-sided, charged membranes offer promise as ionic current rectifiers. In such systems, pores consisting of two regions of opposite charge can be used to generate a current from a gradient in salinity. The efficiency of nanoscale Janus pores increases dramatically as their diameter becomes smaller. However, little is known about the underlying transport processes, particularly under experimentally accessible conditions. In this work, we examine the molecular basis for rectification in Janus nanopores using an applied electric field. Molecular simulations with explicit water and ions are used to examine the structure and dynamics of all molecular species in aqueous electrolyte solutions. For several macroscopic observables, the results of such simulations are consistent with expe2022-01-01T00:00:00Z2022 Mar2025-05-18T12:06:25.997Z2025-05-18T12:06:25.997ZS-EPMC89453613523081510.1021/acsnano.1c07706