Water in nanopores and biological channels: a molecular simulation perspective

CI Lynch, S Rao, MSP Sansom - Chemical reviews, 2020 - ACS Publications
This Review explores the dynamic behavior of water within nanopores and biological
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …

Modeling and simulation of ion channels

C Maffeo, S Bhattacharya, J Yoo, D Wells… - Chemical …, 2012 - ACS Publications
Transport of ions through pores in membranes is a process of fundamental importance to
cell biology. In living organisms, such transport is facilitated by ion channels that utilize the …

Interplay of electrochemical and electrical effects induces structural transformations in electrocatalysts

F Li, XV Medvedeva, JJ Medvedev, E Khairullina… - Nature Catalysis, 2021 - nature.com
The precise control of nanostructure and surface atomic arrangement can be used to tune
the electrocatalytic properties of materials and improve their performance. Unfortunately, the …

Current rectification in temperature‐responsive single nanopores

W Guo, H Xia, F Xia, X Hou, L Cao, L Wang… - …, 2010 - Wiley Online Library
Herein we demonstrate a fully abiotic smart single‐nanopore device that rectifies ionic
current in response to the temperature. The temperature‐responsive nanopore ionic rectifier …

Contact potentials, fermi level equilibration, and surface charging

P Peljo, JA Manzanares, HH Girault - Langmuir, 2016 - ACS Publications
This article focuses on contact electrification from thermodynamic equilibration of the
electrochemical potential of the electrons of two conductors upon contact. The contact …

Molecular dynamics simulations of the dielectric constants of salt-free and salt-doped polar solvents

CJ Shock, MJ Stevens, AL Frischknecht… - The Journal of …, 2023 - pubs.aip.org
We develop a Stockmayer fluid model that accounts for the dielectric responses of polar
solvents (water, MeOH, EtOH, acetone, 1-propanol, DMSO, and DMF) and NaCl solutions …

Redefining electrical double layer thickness in narrow confinements: Effect of solvent polarization

S Das, S Chakraborty, SK Mitra - … Review E—Statistical, Nonlinear, and Soft …, 2012 - APS
In this paper we delineate the consequences of field-dependent solvent polarization in the
electric double layer (EDL) electrostatic potential distribution, and the effective EDL …

Activity of Single Insect Olfactory Receptors Triggered by Airborne Compounds Recorded in Self-Assembled Tethered Lipid Bilayer Nanoarchitectures

D Kleinheinz, C D'Onofrio, C Carraher… - … Applied Materials & …, 2023 - ACS Publications
Membrane proteins are among the most difficult to study as they are embedded in the
cellular membrane, a complex and fragile environment with limited experimental …

Dielectric properties of water at rutile and graphite surfaces: Effect of molecular structure

S Parez, M Předota, M Machesky - The Journal of Physical …, 2014 - ACS Publications
The dielectric properties of interfacial water adjacent to the surfaces of hydrophobic graphite
and the 110 surface of hydrophilic rutile (α-TiO2) are investigated by means of …

Dielectric constant of liquids confined in the extended nanospace measured by a streaming potential method

K Morikawa, Y Kazoe, K Mawatari… - Analytical …, 2015 - ACS Publications
Understanding liquid structure and the electrical properties of liquids confined in extended
nanospaces (10–1000 nm) is important for nanofluidics and nanochemistry. To understand …