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Specific molecular interactions underlie unexpected and useful phenomena in nanofluidic systems, but require descriptions that go beyond traditional macroscopic hydrodynamics. In this letter, we demonstrate how equilibrium molecular…

Mesoscale and Nanoscale Physics · Physics 2023-06-07 Phillip Helms , Anthony R. Poggioli , David T. Limmer

The KcsA potassium channel belongs to a class of K+ channels that is selective for K+ over Na+ at rates of K+ transport approaching the diffusion limit. This selectivity is explained thermodynamically in terms of favorable partitioning of…

Biological Physics · Physics 2009-11-11 D. Asthagiri , Lawrence R. Pratt , Michael E. Paulaitis

The existence of conduction channels in lithium silicate (Li_2O)(SiO_2) is investigated. Regions of the system where many different ions pass by form channels and are thus spatially correlated. For a closer analysis the properties of the…

Materials Science · Physics 2009-11-10 H. Lammert , A. Heuer

Dynamic fluctuations in hydrogen-bond network of water occur from femto- to nano-second timescale and provides insights into structural/dynamical aspects of water at ion-water interfaces. Employing terahertz spectroscopy assisted with…

Soft Condensed Matter · Physics 2023-06-02 Abhishek K. Singh , Luan C. Doan , Djamila Lou , Chengyuan Wen , Nguyen Q. Vinh

Numerical simulations of hydrated proteins show that protein hydration shells are polarized into a ferroelectric cluster with a large magnitude of its average dipole moment. The emergence of this new mesophase dramatically alters the…

Biological Physics · Physics 2010-06-02 David N. LeBard , Dmitry V. Matyushov

The uptake and sorption of charged molecules by responsive polymer membranes and hydrogels in aqueous solutions is of key importance for the development of soft functional materials. Here we investigate the partitioning of simple monoatomic…

Soft Condensed Matter · Physics 2020-03-24 Matej Kanduč , Won Kyu Kim , Rafael Roa , Joachim Dzubiella

It has long been accepted that the multiple-ion single-file transport model is appropriate for many kinds of ion channels. However, most of the purely theoretical works in this field did not capture all of the important features of the…

Biological Physics · Physics 2013-09-02 Kuo Kan Liang

In this paper, we examine the mechanical role of the lipid bilayer in ion channel conformation and function with specific reference to the case of the mechanosensitive channel of large conductance (MscL). In a recent paper (Wiggins and…

Biomolecules · Quantitative Biology 2009-11-10 Paul Wiggins , Rob Phillips

We have studied the dynamics of chloride and potassium ions in the interior of the OmpF porin under the influence of an external electric field. From the results of extensive all-atom molecular dynamics simulations of the system we computed…

Soft Condensed Matter · Physics 2015-05-20 Carles Calero , Jordi Faraudo , Marcel Aguilella-Arzo

Biological membranes and vesicles play a central role in living systems, forming dynamic interfaces that regulate cellular organization and function. Classical descriptions of membrane mechanics that are rooted in equilibrium statistical…

Soft Condensed Matter · Physics 2026-02-24 Sreekanth Ramesh , Prashant K. Purohit , Yashashree Kulkarni

Complex fluids flow in complex ways in complex structures. Transport of water and various organic and inorganic molecules in the central nervous system are important in a wide range of biological and medical processes [C. Nicholson, and S.…

Biological Physics · Physics 2021-05-19 Yi Zhu , Shixin Xu , Robert S. Eisenberg , Huaxiong Huang

The results of molecular dynamics simulations of the properties of water in an aqueous ionic solution close to an interface with a model metallic electrode are described. In the simulations the electrode behaves as an ideally polarizable…

Statistical Mechanics · Physics 2014-09-09 Adam P. Willard , Stewart K. Reed , Paul A. Madden , David Chandler

Brownian ratchet like stochastic theory for the electrochemical membrane system of Hodgkin-Huxley (HH) is developed. The system is characterized by a continuous variable $Q_m(t)$, representing mobile membrane charge density, and a discrete…

Biological Physics · Physics 2014-05-19 Hong Qian , Xue-Juan Zhang , Min Qian

We investigate the dynamics of water confined in soft ionic nano-assemblies, an issue critical for a general understanding of the multi-scale structure-function interplay in advanced materials. We focus in particular on hydrated…

Materials Science · Physics 2017-08-23 Quentin Berrod , Samuel Hanot , Armel Guillermo , Stefano Mossa , Sandrine Lyonnard

The tunneling path between the CuO2-layers in cuprate superconductors and a scanning tunneling microscope tip passes through a barrier made from other oxide layers. This opens up the possibility that inelastic processes in the barrier…

Superconductivity · Physics 2009-11-11 S. Pilgram , T. M. Rice , M. Sigrist

Fluidic iontronics is emerging as a distinctive platform for implementing neuromorphic circuits, characterized by its reliance on the same aqueous medium and ionic signal carriers as the brain. Drawing upon recent theoretical advancements…

Soft Condensed Matter · Physics 2024-06-03 T. M. Kamsma , E. A. Rossing , C. Spitoni , R. van Roij

Conical channels filled with an aqueous electrolyte have been proposed as promising candidates for iontronic neuromorphic circuits. This is facilitated by a novel analytical model for the internal channel dynamics [Kamsma et al.,…

Biological Physics · Physics 2024-01-31 T. M. Kamsma , W. Q. Boon , C. Spitoni , R. van Roij

Using Brownian dynamics simulations, we investigate the dynamics of colloids confined in two-dimensional narrow channels driven by a non-uniform force F(y). We considered linear-gradient, parabolic and delta-like driving-force profiles.…

Soft Condensed Matter · Physics 2009-11-05 D. V. Tkachenko , V. R. Misko , F. M. Peeters

We analyze the diffusive transport of Brownian particles in narrow channels with periodically varying cross-section. The geometrical confinements lead to entropic barriers, the particle has to overcome in order to proceed in transport…

Statistical Mechanics · Physics 2012-01-06 P. S. Burada , G. Schmid , Y. Li , P. Hanggi

Disks of two sizes and weights in alternating sequence are confined to a long and narrow channel. The axis of the channel is horizontal and its plane vertical. The channel is closed off by pistons that freeze jammed microstates out of loose…

Soft Condensed Matter · Physics 2022-03-02 Dan Liu , Gerhard Müller
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