Multistage conformational transition in peptide nanotube induced by temperature and/or external electric field

Richard Clark, Kyozaburo Takeda

    Research output: Contribution to journalArticle

    Abstract

    The effect of temperature and external electric field on the structure of a base class of peptide nanotubes (PNT), composed of cyclo-[(Gly)4] peptide nanoring (G4PNR) subunits, is studied using the density functional theory (DFT) and molecular dynamics (MD). Several asymmetric PNT conformations are identified, which are likely to occur at finite temperature, in addition to the stable optimal (temperature T = 0) conformers identified in previous studies. Temperature and electrical field-induced transitions between conformers are investigated at multiple temperatures/ field strengths. Notably, it is shown that these may enable atomistic control of PNT length, torque, pore radius, dipole moment, and linearity. Combined with the tunable nature of the PNT base properties (including the functional binding groups), this suggests that PNTs have the potential to become a much more important tool in bio-nanotechnology and medicine.

    Original languageEnglish
    Article number065201
    JournalJapanese Journal of Applied Physics
    Volume53
    Issue number6
    DOIs
    Publication statusPublished - 2014

    Fingerprint

    Nanotubes
    Peptides
    peptides
    nanotubes
    Electric fields
    electric fields
    temperature distribution
    Temperature
    temperature
    Nanorings
    Dipole moment
    nanotechnology
    medicine
    Nanotechnology
    Medicine
    Density functional theory
    linearity
    Conformations
    torque
    Molecular dynamics

    ASJC Scopus subject areas

    • Engineering(all)
    • Physics and Astronomy(all)

    Cite this

    @article{ccde7ba2125848f38a729b544135c276,
    title = "Multistage conformational transition in peptide nanotube induced by temperature and/or external electric field",
    abstract = "The effect of temperature and external electric field on the structure of a base class of peptide nanotubes (PNT), composed of cyclo-[(Gly)4] peptide nanoring (G4PNR) subunits, is studied using the density functional theory (DFT) and molecular dynamics (MD). Several asymmetric PNT conformations are identified, which are likely to occur at finite temperature, in addition to the stable optimal (temperature T = 0) conformers identified in previous studies. Temperature and electrical field-induced transitions between conformers are investigated at multiple temperatures/ field strengths. Notably, it is shown that these may enable atomistic control of PNT length, torque, pore radius, dipole moment, and linearity. Combined with the tunable nature of the PNT base properties (including the functional binding groups), this suggests that PNTs have the potential to become a much more important tool in bio-nanotechnology and medicine.",
    author = "Richard Clark and Kyozaburo Takeda",
    year = "2014",
    doi = "10.7567/JJAP.53.065201",
    language = "English",
    volume = "53",
    journal = "Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes",
    issn = "0021-4922",
    publisher = "Japan Society of Applied Physics",
    number = "6",

    }

    TY - JOUR

    T1 - Multistage conformational transition in peptide nanotube induced by temperature and/or external electric field

    AU - Clark, Richard

    AU - Takeda, Kyozaburo

    PY - 2014

    Y1 - 2014

    N2 - The effect of temperature and external electric field on the structure of a base class of peptide nanotubes (PNT), composed of cyclo-[(Gly)4] peptide nanoring (G4PNR) subunits, is studied using the density functional theory (DFT) and molecular dynamics (MD). Several asymmetric PNT conformations are identified, which are likely to occur at finite temperature, in addition to the stable optimal (temperature T = 0) conformers identified in previous studies. Temperature and electrical field-induced transitions between conformers are investigated at multiple temperatures/ field strengths. Notably, it is shown that these may enable atomistic control of PNT length, torque, pore radius, dipole moment, and linearity. Combined with the tunable nature of the PNT base properties (including the functional binding groups), this suggests that PNTs have the potential to become a much more important tool in bio-nanotechnology and medicine.

    AB - The effect of temperature and external electric field on the structure of a base class of peptide nanotubes (PNT), composed of cyclo-[(Gly)4] peptide nanoring (G4PNR) subunits, is studied using the density functional theory (DFT) and molecular dynamics (MD). Several asymmetric PNT conformations are identified, which are likely to occur at finite temperature, in addition to the stable optimal (temperature T = 0) conformers identified in previous studies. Temperature and electrical field-induced transitions between conformers are investigated at multiple temperatures/ field strengths. Notably, it is shown that these may enable atomistic control of PNT length, torque, pore radius, dipole moment, and linearity. Combined with the tunable nature of the PNT base properties (including the functional binding groups), this suggests that PNTs have the potential to become a much more important tool in bio-nanotechnology and medicine.

    UR - http://www.scopus.com/inward/record.url?scp=84903199515&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=84903199515&partnerID=8YFLogxK

    U2 - 10.7567/JJAP.53.065201

    DO - 10.7567/JJAP.53.065201

    M3 - Article

    AN - SCOPUS:84903199515

    VL - 53

    JO - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes

    JF - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes

    SN - 0021-4922

    IS - 6

    M1 - 065201

    ER -