Literature DB >> 21779552

Single-file water in nanopores.

Jürgen Köfinger1, Gerhard Hummer, Christoph Dellago.   

Abstract

Water molecules confined to pores with sub-nanometre diameters form single-file hydrogen-bonded chains. In such nanoscale confinement, water has unusual physical properties that are exploited in biology and hold promise for a wide range of biomimetic and nanotechnological applications. The latter can be realized by carbon and boron nitride nanotubes which confine water in a relatively non-specific way and lend themselves to the study of intrinsic properties of single-file water. As a consequence of strong water-water hydrogen bonds, many characteristics of single-file water are conserved in biological and synthetic pores despite differences in their atomistic structures. Charge transport and orientational order in water chains depend sensitively on and are mainly determined by electrostatic effects. Thus, mimicking functions of biological pores with apolar pores and corresponding external fields gives insight into the structure-function relation of biological pores and allows the development of technical applications beyond the molecular devices found in living systems. In this Perspective, we revisit results for single-file water in apolar pores, and examine the similarities and the differences between these simple systems and water in more complex pores. This journal is © the Owner Societies 2011

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Year:  2011        PMID: 21779552      PMCID: PMC3470881          DOI: 10.1039/c1cp21086f

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  110 in total

1.  Anomalously soft dynamics of water in a nanotube: a revelation of nanoscale confinement.

Authors:  Alexander I Kolesnikov; Jean-Marc Zanotti; Chun-Keung Loong; Pappannan Thiyagarajan; Alexander P Moravsky; Raouf O Loutfy; Christian J Burnham
Journal:  Phys Rev Lett       Date:  2004-07-14       Impact factor: 9.161

2.  Reaction coordinates and rates from transition paths.

Authors:  Robert B Best; Gerhard Hummer
Journal:  Proc Natl Acad Sci U S A       Date:  2005-04-06       Impact factor: 11.205

Review 3.  The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations.

Authors:  Mitsunori Kato; Andrei V Pisliakov; Arieh Warshel
Journal:  Proteins       Date:  2006-09-01

4.  Kinetics and mechanism of proton transport across membrane nanopores.

Authors:  Christoph Dellago; Gerhard Hummer
Journal:  Phys Rev Lett       Date:  2006-12-11       Impact factor: 9.161

5.  Vibrational spectroscopy of water in narrow nanopores.

Authors:  Marcus Weinwurm; Christoph Dellago
Journal:  J Phys Chem B       Date:  2011-01-31       Impact factor: 2.991

6.  Effects of electric fields on proton transport through water chains.

Authors:  Sergio A Hassan; Gerhard Hummer; Yong-Sok Lee
Journal:  J Chem Phys       Date:  2006-05-28       Impact factor: 3.488

7.  Molecular mechanism of H+ conduction in the single-file water chain of the gramicidin channel.

Authors:  Régis Pomès; Benoît Roux
Journal:  Biophys J       Date:  2002-05       Impact factor: 4.033

8.  Water alignment and proton conduction inside carbon nanotubes.

Authors:  David J Mann; Mathew D Halls
Journal:  Phys Rev Lett       Date:  2003-05-15       Impact factor: 9.161

9.  Electrostatic gating of a nanometer water channel.

Authors:  Jingyuan Li; Xiaojing Gong; Hangjun Lu; Ding Li; Haiping Fang; Ruhong Zhou
Journal:  Proc Natl Acad Sci U S A       Date:  2007-02-27       Impact factor: 11.205

10.  Water and proton conduction through carbon nanotubes as models for biological channels.

Authors:  Fangqiang Zhu; Klaus Schulten
Journal:  Biophys J       Date:  2003-07       Impact factor: 4.033

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  16 in total

1.  Entropy of single-file water in (6,6) carbon nanotubes.

Authors:  Aparna Waghe; Jayendran C Rasaiah; Gerhard Hummer
Journal:  J Chem Phys       Date:  2012-07-28       Impact factor: 3.488

2.  On the role of water density fluctuations in the inhibition of a proton channel.

Authors:  Eleonora Gianti; Lucie Delemotte; Michael L Klein; Vincenzo Carnevale
Journal:  Proc Natl Acad Sci U S A       Date:  2016-12-12       Impact factor: 11.205

3.  Classical Molecular Dynamics with Mobile Protons.

Authors:  Themis Lazaridis; Gerhard Hummer
Journal:  J Chem Inf Model       Date:  2017-11-14       Impact factor: 4.956

4.  Decisive structural elements in water and ion permeation through mechanosensitive channels of large conductance: insights from molecular dynamics simulation.

Authors:  Vahid Fadaei Naeini; Majid Baniassadi; Masumeh Foroutan; Yves Rémond; Daniel George
Journal:  RSC Adv       Date:  2022-06-16       Impact factor: 4.036

5.  Water and ion permeability of a claudin model: A computational study.

Authors:  Rozita Laghaei; Alan S L Yu; Rob D Coalson
Journal:  Proteins       Date:  2016-02-01

Review 6.  Molecular Shape and the Hydrophobic Effect.

Authors:  Matthew B Hillyer; Bruce C Gibb
Journal:  Annu Rev Phys Chem       Date:  2016-05-27       Impact factor: 12.703

Review 7.  Water in Nanopores and Biological Channels: A Molecular Simulation Perspective.

Authors:  Charlotte I Lynch; Shanlin Rao; Mark S P Sansom
Journal:  Chem Rev       Date:  2020-08-25       Impact factor: 60.622

Review 8.  Water in protein hydration and ligand recognition.

Authors:  Manuela Maurer; Chris Oostenbrink
Journal:  J Mol Recognit       Date:  2019-08-27       Impact factor: 2.891

9.  Hydrated Excess Protons Can Create Their Own Water Wires.

Authors:  Yuxing Peng; Jessica M J Swanson; Seung-gu Kang; Ruhong Zhou; Gregory A Voth
Journal:  J Phys Chem B       Date:  2014-11-12       Impact factor: 2.991

10.  Electrostatic interactions between ions near Thomas-Fermi substrates and the surface energy of ionic crystals at imperfect metals.

Authors:  V Kaiser; J Comtet; A Niguès; A Siria; B Coasne; L Bocquet
Journal:  Faraday Discuss       Date:  2017-04-24       Impact factor: 4.008

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