title: MD Study of Solution Concentrations on Ion Distribution in a Nanopore-Based Device Inspired from Red Blood Cells.
abstract: A molecular dynamics model of a nanopore-based device, which is similar to the nanopores in a cell membrane, was used to determine the influence of solution concentration on radial ion distribution, screening effects, and the radial potential profile in the nanopore. Results from these simulations indicate that as the solution concentration increases, the density peaks for both the counterion and coion near the charged wall increase at different speeds as screening effects appeared. Consequently, the potential near the charged wall of the nanopore changed from negative to positive during the simulation. The detailed understanding of ion distribution in nanopores is important for controlling the ion permeability and improving the cell transfection and also the design and application of nanofluidic devices.
authors.affiliation: College of Engineering, Nanjing Agricultural University, Nanjing 210031, China.
authors.forename: Yanyan
authors.identifier: 0000-0003-3303-7777
authors.initials: Y
authors.lastname: Ge
authors.affiliation: College of Engineering, Nanjing Agricultural University, Nanjing 210031, China.
authors.forename: Jieyu
authors.initials: J
authors.lastname: Xian
authors.affiliation: College of Engineering, Nanjing Agricultural University, Nanjing 210031, China.
authors.forename: Min
authors.initials: M
authors.lastname: Kang
authors.affiliation: College of Engineering, Nanjing Agricultural University, Nanjing 210031, China.
authors.forename: Xiaolin
authors.initials: X
authors.lastname: Li
authors.affiliation: College of Engineering, Nanjing Agricultural University, Nanjing 210031, China.
authors.forename: Meifu
authors.initials: M
authors.lastname: Jin
mesh_terms: D002712:Chlorides / Q000737:chemistry; D004247:DNA / Q000737:chemistry; D004912:Erythrocytes / Q000166:cytology*; D006801:Humans; D057446:Hydrodynamics; D007477:Ions; D044085:Microfluidics; D008962:Models, Theoretical; D056004:Molecular Dynamics Simulation; D058608:Nanopores; D036103:Nanotechnology / Q000379:methods*; D010539:Permeability; D012964:Sodium / Q000737:chemistry; D012996:Solutions / Q000737:chemistry; D013499:Surface Properties; D014162:Transfection
chemical_list: D002712:Chlorides; D007477:Ions; D012996:Solutions; D004247:DNA; D012964:Sodium