Carbon nanotube as a gramicidin analogue

Tamsyn A. Hilder, Shin Ho Chung

    Research output: Contribution to journalArticlepeer-review

    12 Citations (Scopus)


    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 languageEnglish
    Pages (from-to)423-426
    Number of pages4
    JournalChemical Physics Letters
    Issue number4-6
    Publication statusPublished - 7 Jan 2011


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