Search results for "Biomimetic nanopore"

showing 2 items of 2 documents

Computational methods and theory for ion channel research

2022

Ion channels are fundamental biological devices that act as gates in order to ensure selective ion transport across cellular membranes; their operation constitutes the molecular mechanism through which basic biological functions, such as nerve signal transmission and muscle contraction, are carried out. Here, we review recent results in the field of computational research on ion channels, covering theoretical advances, state-of-the-art simulation approaches, and frontline modeling techniques. We also report on few selected applications of continuum and atomistic methods to characterize the mechanisms of permeation, selectivity, and gating in biological and model channels.

continuum modelsmolecular dynamicselectivityIon channels; biomimetic nanopores; conductance; continuum models; gating; machine learning; molecular dynamics; rare events; selectivityGeneral Physics and AstronomyArticlemolecular dynamicsSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)rare eventsmachine learningcontinuum modelIon channelsgatingddc:530biomimetic nanoporesIon channelbiomimetic nanoporerare eventconductance
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Tetraalkylammonium Cations Conduction through a Single Nanofluidic Diode: Experimental and Theoretical Studies

2017

[EN] We describe experimentally and theoretically the concentration-dependent conduction of tetraalkylammonium (TAA+) cations through a nanofluidic diode fabricated in a polymer membrane via asymmetric track-etching techniques. This single-pore membrane exhibits current rectification characteristics because of the ionized carboxylate groups on the pore surface. We use aqueous solutions of potassium (K+ ), ammonium (A+ ), tetramethylammonium (TMA+ ), tetraethylammonium (TEA+ ), and tetrabutylammonium (TBA+ ) ions with concentrations ranging from 50 to 500 mM under acidic (pH 3.5) and physiological (pH 6.5) conditions. Compared with the K+ and A+ ions, the TMA+ , TEA+ , and TBA+ ions show rel…

General Chemical EngineeringInorganic chemistryAnalytical chemistry02 engineering and technology010402 general chemistry01 natural sciencesIonchemistry.chemical_compoundAdsorptionElectrochemistryNernst-Planck equationCarboxylateSurface chargeAlkylTetraalkyammonium cationsTetramethylammoniumchemistry.chemical_classificationAqueous solutionBiomimetic nanoporeCurrent rectification021001 nanoscience & nanotechnology0104 chemical sciencesMembraneNanofluidic diodechemistryFISICA APLICADA0210 nano-technology
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