Carbon nanotube as a gramicidin analogue

Date

2011

Authors

Hilder, Tamsyn
Chung, Shin-Ho

Journal Title

Journal ISSN

Volume Title

Publisher

Elsevier

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.

Description

Keywords

Keywords: Calcium concentration; Calcium ions; Channel entrances; Concentration profiles; Current voltage; Divalent cation; Effective radius; Hydrogen atoms; Ion binding sites; Monovalent cations; Potassium currents; Stochastic dynamics; Binding sites; Biochemistry

Citation

Source

Chemical Physics Letters

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

Restricted until

2037-12-31