First-Principles Study on Electronic Structures of Protein Nanotubes

Katsuhiko Fukasaku, Kyozaburo Takeda, Kenji Shiraishi

    Research output: Contribution to journalArticle

    15 Citations (Scopus)

    Abstract

    The electronic structures of protein nanotubes (PNTB), which are formed by the periodical stacking of cyclo-peptide-ring (CPR) rings, are theoretically investigated in terms of the ab initio calculations. The inter-ring H bonds among the CPRs cause the electronic interaction when CPRs are periodically stacked. This interaction has a potential to delocalize electrons and holes along the tube axis as if the band conduction occurs through the bridging H bonds. The protonation of this system is also investigated. The migrated proton (charged H* species) is expected to create the impurity (acceptor) level in the band gap of the PNTB.

    Original languageEnglish
    Pages (from-to)3751-3760
    Number of pages10
    JournalJournal of the Physical Society of Japan
    Volume67
    Issue number11
    Publication statusPublished - 1998 Nov

    Fingerprint

    nanotubes
    electronic structure
    proteins
    rings
    peptides
    conduction bands
    interactions
    tubes
    impurities
    protons
    causes
    electronics
    electrons

    Keywords

    • Energy band gap
    • First-principles electronic structures
    • Local density functional method
    • Protein nanotubes

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    Cite this

    First-Principles Study on Electronic Structures of Protein Nanotubes. / Fukasaku, Katsuhiko; Takeda, Kyozaburo; Shiraishi, Kenji.

    In: Journal of the Physical Society of Japan, Vol. 67, No. 11, 11.1998, p. 3751-3760.

    Research output: Contribution to journalArticle

    Fukasaku, Katsuhiko ; Takeda, Kyozaburo ; Shiraishi, Kenji. / First-Principles Study on Electronic Structures of Protein Nanotubes. In: Journal of the Physical Society of Japan. 1998 ; Vol. 67, No. 11. pp. 3751-3760.
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