[HTML][HTML] The persistent question of potassium channel permeation mechanisms

A Mironenko, U Zachariae, BL de Groot… - Journal of Molecular …, 2021 - Elsevier
Potassium channels play critical roles in many physiological processes, providing a
selective permeation route for K+ ions in and out of a cell, by employing a carefully designed …

Computational spectroscopy of complex systems

TLC Jansen - The Journal of Chemical Physics, 2021 - pubs.aip.org
Numerous linear and non-linear spectroscopic techniques have been developed to
elucidate structural and functional information of complex systems ranging from natural …

[HTML][HTML] Structure and dynamics of phospholipids in membranes elucidated by combined use of NMR and vibrational spectroscopies

H Akutsu - Biochimica et Biophysica Acta (BBA)-Biomembranes, 2020 - Elsevier
NMR is a sophisticated method for investigation of structure and dynamics of lipid and
protein molecules in membranes. Vibrational spectroscopy is also powerful because of …

AIM: a map** program for infrared spectroscopy of proteins

KE van Adrichem, TLC Jansen - Journal of chemical theory and …, 2022 - ACS Publications
Here, we present a new analysis program, AIM, that allows extracting the vibrational amide-I
Hamiltonian using molecular dynamics trajectories for protein infrared spectroscopy …

Permeability enhancement of Kv1. 2 potassium channel by a terahertz electromagnetic field

X Zhao, W Ding, H Wang, Y Wang, Y Liu… - The Journal of …, 2023 - pubs.aip.org
As biomolecules vibrate and rotate in the terahertz band, the biological effects of terahertz
electromagnetic fields have drawn considerable attention from the physiological and …

Designing artificial ion channels with strict K+/Na+ selectivity toward next-generation electric-eel-mimetic ionic power generation

J Li, L Du, X Kong, J Wu, D Lu, L Jiang… - National Science …, 2023 - academic.oup.com
ABSTRACT A biological potassium channel is> 1000 times more permeable to K+ than to
Na+ and exhibits a giant permeation rate of∼ 108 ions/s. It is a great challenge to construct …

Water inside the Selectivity Filter of a K+ Ion Channel: Structural Heterogeneity, Picosecond Dynamics, and Hydrogen Bonding

MJ Ryan, L Gao, FI Valiyaveetil… - Journal of the …, 2024 - ACS Publications
Water inside biological ion channels regulates the key properties of these proteins, such as
selectivity, ion conductance, and gating. In this article, we measure the picosecond spectral …

CH Mode Mixing Determines the Band Shape of the Carboxylate Symmetric Stretch in Apo-EDTA, Ca2+–EDTA, and Mg2+–EDTA

S Mitra, K Werling, EJ Berquist… - The Journal of …, 2021 - ACS Publications
The infrared spectra of EDTA complexed with Ca2+ and Mg2+ contain, to date, unidentified
vibrational bands. This study assigns the peaks in the linear and two-dimensional infrared …

A bottom-up approach to the ion recognition mechanism of K+ channels from laser spectroscopy of hydrated partial peptide–alkali metal ion complexes

Y Suzuki, K Hirata, JM Lisy, S Ishiuchi… - Physical Chemistry …, 2022 - pubs.rsc.org
K+ channels allow selective permeation of K+, but not physiologically abundant Na+, at
almost diffusion limit rates. The conduction mechanism of K+ channels is still controversial …

Carboxylate binding prefers two cations to one

MJ Stevens, SLB Rempe - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Almost all studies of specific ion binding by carboxylates (–COO−) have considered only a
single cation, but clustering of ions and ligands is a common phenomenon. We apply …