Carbon nanotube as a gramicidin analogue

Tamsyn A. Hilder; Shin Ho Chung

doi:10.1016/j.cplett.2010.11.034

Carbon nanotube as a gramicidin analogue

Tamsyn A. Hilder, Shin Ho Chung

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

Abstract

We have designed a carbon nanotube that is selectively permeable to monovalent cations, binds divalent cations and rejects anions. The nanotubes, with an effective radius of 4.53 and length of 36 , are terminated with hydrogen atoms and are exohydrogenated in two regions near the entrance and exit. Using molecular and stochastic dynamics simulations we examine the free energy, current-voltage-concentration profiles and ion binding sites. The characteristics of this channel are comparable to the antibiotic gramicidin-A, but the potassium current is six times larger. At 40 mM calcium concentration the current is reduced from 26 pA to 4 pA due to a calcium ion binding at the channel entrance.

Original language	English
Pages (from-to)	423-426
Number of pages	4
Journal	Chemical Physics Letters
Volume	501
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2010.11.034
Publication status	Published - 7 Jan 2011

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10.1016/j.cplett.2010.11.034

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title = "Carbon nanotube as a gramicidin analogue",

abstract = "We have designed a carbon nanotube that is selectively permeable to monovalent cations, binds divalent cations and rejects anions. The nanotubes, with an effective radius of 4.53 and length of 36 , are terminated with hydrogen atoms and are exohydrogenated in two regions near the entrance and exit. Using molecular and stochastic dynamics simulations we examine the free energy, current-voltage-concentration profiles and ion binding sites. The characteristics of this channel are comparable to the antibiotic gramicidin-A, but the potassium current is six times larger. At 40 mM calcium concentration the current is reduced from 26 pA to 4 pA due to a calcium ion binding at the channel entrance.",

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AU - Chung, Shin Ho

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AB - We have designed a carbon nanotube that is selectively permeable to monovalent cations, binds divalent cations and rejects anions. The nanotubes, with an effective radius of 4.53 and length of 36 , are terminated with hydrogen atoms and are exohydrogenated in two regions near the entrance and exit. Using molecular and stochastic dynamics simulations we examine the free energy, current-voltage-concentration profiles and ion binding sites. The characteristics of this channel are comparable to the antibiotic gramicidin-A, but the potassium current is six times larger. At 40 mM calcium concentration the current is reduced from 26 pA to 4 pA due to a calcium ion binding at the channel entrance.

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

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Carbon nanotube as a gramicidin analogue

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