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Na+ and K+ ion sele...
Na+ and K+ ion selectivity by size-controlled biomimetic graphene nanopores
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Kang, Yu (författare)
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Zhang, Zhisen (författare)
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Shi, Hui (författare)
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Zhang, Junqiao (författare)
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- Liang, Lijun (författare)
- KTH,Teoretisk kemi och biologi,Zhejiang University, China
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Wang, Qi (författare)
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- Ågren, Hans (författare)
- KTH,Teoretisk kemi och biologi
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- Tu, Yaoquan (författare)
- KTH,Teoretisk kemi och biologi
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(creator_code:org_t)
- 2014
- 2014
- Engelska.
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Ingår i: Nanoscale. - : Royal Society of Chemistry (RSC). - 2040-3364 .- 2040-3372. ; 6:18, s. 10666-10672
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Because biological ionic channels play a key role in cellular transport phenomena, they have attracted extensive research interest for the design of biomimetic nanopores with high permeability and selectivity in a variety of technical applications. Inspired by the structure of K+ channel proteins, we designed a series of oxygen doped graphene nanopores of different sizes by molecular dynamics simulations to discriminate between K+ and Na+ channel transport. The results from free energy calculations indicate that the ion selectivity of such biomimetic graphene nanopores can be simply controlled by the size of the nanopore; compared to K+, the smaller radius of Na+ leads to a significantly higher free energy barrier in the nanopore of a certain size. Our results suggest that graphene nanopores with a distance of about 3.9 A between two neighboring oxygen atoms could constitute a promising candidate to obtain excellent ion selectivity for Na+ and K+ ions.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Nyckelord
- Biomimetics
- Free energy
- Graphene
- Ions
- Molecular dynamics
- Oxygen
- Cellular transport
- Channel proteins
- Free-energy calculations
- High permeability
- Ion selectivity
- Molecular dynamics simulations
- Research interests
- Technical applications
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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