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Updated: Jan 15, 2026

A Proteoliposome-Based Efflux Assay to Determine Single-molecule Properties of Cl- Channels and Transporters
Published on: April 20, 2015
Entropic Modulation of Divalent Cation Transport.
Yechan Noh1, Demian Riccardi2, Alex Smolyanitsky2
1National Institute of Standards and Technology, University of Colorado Boulder, Department of Physics, Boulder, Colorado 80309, USA and Applied Chemicals and Materials Division, Boulder, Colorado 80305, USA.
Transporting divalent cations through subnanoscale pores involves overcoming energy barriers. This study reveals that cation hydration shells rotate and order within the pore, creating a tight transition state that influences transport mechanisms.
Area of Science:
- Physical Chemistry
- Materials Science
- Nanotechnology
Background:
- Aqueous cations permeate subnanoscale pores via energy barriers.
- Monovalent cation transport is well-studied, but divalent cations present unique challenges due to higher desolvation costs.
Purpose of the Study:
- To investigate the transport mechanisms of divalent cations through subnanoscale pores.
- To elucidate the role of hydration shells and energy competition in divalent cation permeation.
Main Methods:
- Computational simulations were employed to model cation transport.
- Analysis focused on free energy barriers, hydration shell dynamics, and electrostatic interactions.
Main Results:
- Divalent cation transport involves a strong enthalpy-entropy competition.
- The first hydration shell undergoes rotational ordering within the pore, forming a tight transition state.
- This ordering significantly impacts the energy landscape of cation permeation.
Conclusions:
- The transport barrier for divalent cations is shaped by hydration shell ordering and enthalpy-entropy competition.
- Findings provide insights into the fundamental mechanisms governing divalent cation transport in nanoporous 2D membranes.
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