ArticleProceedings of the National Academy of Sciences of the United States of America2015
Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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19 citing papers in PubMed.
- Characterization of Critical Amino Acids in the Transport and Selectivity of the Plant NaInternational journal of molecular sciences · 2025Article
- Photoinduced Charge Injection from Shallow Point Defects in Diamond into Water.ACS applied materials & interfaces · 2024Article
- Development of Optical Nanosensors for Detection of Potassium Ions and Assessment of Their Biocompatibility with Corneal Epithelial Cells.ACS omega · 2024Article
- Congener-welded crystalline carbon nitride membrane for robust and highly selective Li/Mg separation.Science advances · 2024Article
- Unlocking osmotic energy harvesting potential in challenging real-world hypersaline environments through vermiculite-based hetero-nanochannels.Nature communications · 2024Article
- Fluids and Electrolytes under Confinement in Single-Digit Nanopores.Chemical reviews · 2023Review
- Capturing charge and size effects of ions at the graphene-electrolyte interface using polarizable force field simulations.Nanoscale advances · 2023Article
- Kir7.1 disease mutant T153I within the inner pore affects KAmerican journal of physiology. Cell physiology · 2022Article
- The energetic barrier to single-file water flow through narrow channels.Biophysical reviews · 2021Review
- Two-dimensional monolayer salt nanostructures can spontaneously aggregate rather than dissolve in dilute aqueous solutions.Nature communications · 2021Article
- Interaction-based ion selectivity exhibited by self-assembled, cross-linked zwitterionic copolymer membranes.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Core and Valence Level Photoelectron Spectroscopy of Nanosolvated KCl.The journal of physical chemistry. A · 2021Article
- Ion Selectivity of Water Molecules in Subnanoporous Liquid-Crystalline Water-Treatment Membranes: A Structural Study of Hydrogen Bonding.Angewandte Chemie (International ed. in English) · 2020Article
- Transparent proton transport through a two-dimensional nanomesh material.Nature communications · 2019Article
- Measurements of the size and correlations between ions using an electrolytic point contact.Nature communications · 2019Article
- Selective lithium ion recognition in self-assembled columnar liquid crystals based on a lithium receptor.Chemical science · 2018Article
- How Water's Properties Are Encoded in Its Molecular Structure and Energies.Chemical reviews · 2017Article
- Article
- Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation.PloS one · 2015Article
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3 authors.
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Abstract
Recently reported synthetic organic nanopore (SONP) can mimic a key feature of natural ion channels, i.e., selective ion transport. However, the physical mechanism underlying the K(+)/Na(+) selectivity for the SONPs is dramatically different from that of natural ion channels. To achieve a better understanding of the selective ion transport in hydrophobic subnanometer channels in general and SONPs in particular, we perform a series of ab initio molecular dynamics simulations to investigate the diffusivity of aqua Na(+) and K(+) ions in two prototype hydrophobic nanochannels: (i) an SONP with radius of 3.2 Å, and (ii) single-walled carbon nanotubes (CNTs) with radii of 3-5 Å (these radii are comparable to those of the biological potassium K(+) channels). We find that the hydration shell of aqua Na(+) ion is smaller than that of aqua K(+) ion but notably more structured and less yielding. The aqua ions do not lower the diffusivity of water molecules in CNTs, but in SONP the diffusivity of aqua ions (Na(+) in particular) is strongly suppressed due to the rugged inner surface. Moreover, the aqua Na(+) ion requires higher formation energy than aqua K(+) ion in the hydrophobic nanochannels. As such, we find that the ion (K(+) vs. Na(+)) selectivity of the (8, 8) CNT is ∼20× higher than that of SONP. Hence, the (8, 8) CNT is likely the most efficient artificial K(+) channel due in part to its special interior environment in which Na(+) can be fully solvated, whereas K(+) cannot. This work provides deeper insights into the physical chemistry behind selective ion transport in nanochannels.
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