Molecular dynamical study on ion channeling through peptide nanotube

Norihito Sumiya, Daiki Igami, Kyozaburo Takeda

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    1 Citation (Scopus)

    Abstract

    We theoretically study the possibility of ion channeling through peptide nanotubes (PNTs). After designing the minimal peptide nanorings (PNRs) and their aggregated form (peptide nanotubes, PNT) computationally, we carry out molecular dynamics (MD) calculations for cation channeling. The present MD calculations show that cation channeling through PNTs occurs. Furthermore, inter-ring hydrogen bonds (HBs) survive and maintain the tubular form of PNTs during cation channeling. We introduce mobility such that cation channeling can be evaluated quantitatively. As the ionic radius of the cation becomes smaller, the effective relaxation time τ becomes larger. Accordingly, mobilities of 10 -2∼10 -3[cm 2/volt/sec] are calculated. In contrast, when an anion (F -) passes through the PNT, the inter-ring HBs are broken, thus inducing breakdown of the peptide backbone. Consequently, H atoms from the broken HBs surround the channeling anion (F -) and halt its motion.

    Original languageEnglish
    Title of host publicationAIP Conference Proceedings
    Pages1055-1056
    Number of pages2
    Volume1399
    DOIs
    Publication statusPublished - 2011
    Event30th International Conference on the Physics of Semiconductors, ICPS-30 - Seoul
    Duration: 2010 Jul 252010 Jul 30

    Other

    Other30th International Conference on the Physics of Semiconductors, ICPS-30
    CitySeoul
    Period10/7/2510/7/30

    Fingerprint

    peptides
    nanotubes
    cations
    ions
    hydrogen bonds
    molecular dynamics
    anions
    rings
    breakdown
    relaxation time
    radii
    atoms

    Keywords

    • ion channel
    • molecular dynamics
    • peptide nanotube

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    Cite this

    Sumiya, N., Igami, D., & Takeda, K. (2011). Molecular dynamical study on ion channeling through peptide nanotube. In AIP Conference Proceedings (Vol. 1399, pp. 1055-1056) https://doi.org/10.1063/1.3666741

    Molecular dynamical study on ion channeling through peptide nanotube. / Sumiya, Norihito; Igami, Daiki; Takeda, Kyozaburo.

    AIP Conference Proceedings. Vol. 1399 2011. p. 1055-1056.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    Sumiya, N, Igami, D & Takeda, K 2011, Molecular dynamical study on ion channeling through peptide nanotube. in AIP Conference Proceedings. vol. 1399, pp. 1055-1056, 30th International Conference on the Physics of Semiconductors, ICPS-30, Seoul, 10/7/25. https://doi.org/10.1063/1.3666741
    Sumiya N, Igami D, Takeda K. Molecular dynamical study on ion channeling through peptide nanotube. In AIP Conference Proceedings. Vol. 1399. 2011. p. 1055-1056 https://doi.org/10.1063/1.3666741
    Sumiya, Norihito ; Igami, Daiki ; Takeda, Kyozaburo. / Molecular dynamical study on ion channeling through peptide nanotube. AIP Conference Proceedings. Vol. 1399 2011. pp. 1055-1056
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