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  Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes

Hummer, G. (2005). Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes. In Nanofabrication: Technologies, Devices, and Applications (pp. 214-219). International Society for Optics and Photonics. doi:10.1117/12.580242.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0008-D71C-7 Version Permalink: https://hdl.handle.net/21.11116/0000-000B-91AD-E
Genre: Conference Paper

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Hummer, Gerhard1, Author                 
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1Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, USA, ou_persistent22              

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 Abstract: The transport of water, protons, and nucleic acids through carbon nanotubes was studied with all-atom molecular dynamics simulations. Water is found to fill even narrow pores of sub-nanometer diameter, but the filling is sensitive to the strength of attractive pore-water interactions. Motions of the resulting water wires is fast on a molecular scale. Protons were also found to move rapidly along one-dimensionally ordered water chains with a hopping mechanism. The transport of nucleic acids through nanotube membranes is dominated by polymer conformational dynamics during entry, and hydrophobic attachment to the pore walls during exit.

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Language(s): eng - English
 Dates: 2005-01-19
 Publication Status: Published online
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1117/12.580242
BibTex Citekey: hummer_simulations_2005
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Title: Nanofabrication: Technologies, Devices, and Applications
Source Genre: Proceedings
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Publ. Info: International Society for Optics and Photonics
Pages: - Volume / Issue: 5592 Sequence Number: - Start / End Page: 214 - 219 Identifier: -