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 …

[HTML][HTML] Hydrophobic gating in ion channels

P Aryal, MSP Sansom, SJ Tucker - Journal of molecular biology, 2015 - Elsevier
Biological ion channels are nanoscale transmembrane pores. When water and ions are
enclosed within the narrow confines of a sub-nanometer hydrophobic pore, they exhibit …

Water in nonpolar confinement: from nanotubes to proteins and beyond

JC Rasaiah, S Garde, G Hummer - Annu. Rev. Phys. Chem., 2008 - annualreviews.org
Water molecules confined to nonpolar pores and cavities of nanoscopic dimensions exhibit
highly unusual properties. Water filling is strongly cooperative, with the possible coexistence …

Water and ion transport through functionalised carbon nanotubes: implications for desalination technology

B Corry - Energy & Environmental Science, 2011 - pubs.rsc.org
The use of semipermeable membranes containing carbon nanotubes (CNTs) that form
continuous pores has been suggested as a way to reduce the cost of desalination …

The mechanism of water diffusion in narrow carbon nanotubes

A Striolo - Nano letters, 2006 - ACS Publications
Carbon nanotubes show exceptional physical properties that render them promising
candidates as building blocks for nanostructured materials. Many ambitious applications …

The importance of dehydration in determining ion transport in narrow pores

LA Richards, AI Schäfer, BS Richards, B Corry - Small, 2012 - Wiley Online Library
The transport of hydrated ions through narrow pores is important for a number of processes
such as the desalination and filtration of water and the conductance of ions through …

Nanofluidics in carbon nanotubes

A Noy, HG Park, F Fornasiero, JK Holt… - Nano today, 2007 - Elsevier
Extremely high aspect ratios, molecularly smooth hydrophobic graphitic walls, and
nanoscale inner diameters of carbon nanotubes give rise to the unique phenomenon of ultra …

Recent developments in carbon nanotube membranes for water purification and gas separation

K Sears, L Dumée, J Schütz, M She, C Huynh… - Materials, 2010 - mdpi.com
Carbon nanotubes (CNTs) are nanoscale cylinders of graphene with exceptional properties
such as high mechanical strength, high aspect ratio and large specific surface area. To …

Test-area simulation method for the direct determination of the interfacial tension of systems with continuous or discontinuous potentials

GJ Gloor, G Jackson, FJ Blas… - The Journal of chemical …, 2005 - pubs.aip.org
A novel test-area (TA) technique for the direct simulation of the interfacial tension of systems
interacting through arbitrary intermolecular potentials is presented in this paper. The most …

Wetting phenomena in nanofluidics

M Rauscher, S Dietrich - Annu. Rev. Mater. Res., 2008 - annualreviews.org
We focus on the dynamical aspects of wetting phenomena on the nanoscale for which bulk
hydrodynamic equations become invalid. At the nanoscale, phenomena that are irrelevant …