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 …

Universal relation between instantaneous diffusivity and radius of gyration of proteins in aqueous solution

E Yamamoto, T Akimoto, A Mitsutake, R Metzler - Physical review letters, 2021 - APS
Protein conformational fluctuations are highly complex and exhibit long-term correlations.
Here, molecular dynamics simulations of small proteins demonstrate that these …

Improving permeation and antifouling performance of polyamide nanofiltration membranes through the incorporation of arginine

L Fan, Q Zhang, Z Yang, R Zhang, Y Liu… - … applied materials & …, 2017 - ACS Publications
Inspired by the hydrophilicity effect of arginine (Arg) in water channel aquaporins (AQPs),
Arg was incorporated into the polyamide layer during interfacial polymerization to enhance …

Hydrophilic modified polydopamine tailored heterogeneous polyamide in thin-film nanocomposite membranes for enhanced separation performance and anti-fouling …

D Chen, R Hu, Y Song, F Gao, W Peng, Y Zhang… - Journal of Membrane …, 2023 - Elsevier
To meet the larger-scale freshwater demand, it is necessary to develop advanced thin-film
nanocomposite (TFN) membranes with favorable separation performance and anti-fouling …

Incorporating arginine-FeIII complex into polyamide membranes for enhanced water permeance and antifouling performance

J Guan, L Fan, Y Liu, B Shi, J Yuan, R Zhang… - Journal of Membrane …, 2020 - Elsevier
Nanofiltration membranes featuring excellent separation and antifouling performances are
highly desired for applications such as water purification. In this study, inspired by the …

Number and regulation of protozoan aquaporins reflect environmental complexity

J Von Bülow, E Beitz - The Biological Bulletin, 2015 - journals.uchicago.edu
Protozoa are a diverse group of unicellular eukaryotes. Evidence has accumulated that
protozoan aquaporin water and solute channels (AQP) contribute to adaptation in changing …

Enhancing the Chlorine Stability and Antifouling Properties of Thin-Film Composite Reverse Osmosis Membranes via Surface Grafting L-Arginine-Functionalized …

R Xu, L Ding, D Chen, T Liu, Y Wu, Y Cao… - Industrial & …, 2020 - ACS Publications
Polyamide thin-film composite reverse osmosis (RO) membranes face poor chlorine
resistance and antifouling properties, which greatly limit the wide application of RO …

Relaxation functions of the Ornstein-Uhlenbeck process with fluctuating diffusivity

T Uneyama, T Miyaguchi, T Akimoto - Physical Review E, 2019 - APS
We study the relaxation behavior of the Ornstein-Uhlenbeck (OU) process with time-
dependent and fluctuating diffusivity. In this process, the dynamics of the position vector is …

Investigation of the aquaporin‐2 gating mechanism with molecular dynamics simulations

H Hadidi, R Kamali, A Binesh - Proteins: Structure, Function …, 2021 - Wiley Online Library
Aquaporin‐2 plays a vital role in the human kidney as a water passage channel. Any
disorder with its function can cause water imbalance and consequently disease in humans …

[HTML][HTML] A new gating site in human aquaporin-4: Insights from molecular dynamics simulations

D Alberga, O Nicolotti, G Lattanzi, GP Nicchia… - … et Biophysica Acta (BBA …, 2014 - Elsevier
Abstract Aquaporin-4 (AQP4) is the predominant water channel in different organs and
tissues. An alteration of its physiological functioning is responsible for several disorders of …