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 publicationPhysics of Semiconductors - 30th International Conference on the Physics of Semiconductors, ICPS-30
Pages1055-1056
Number of pages2
DOIs
Publication statusPublished - 2011 Dec 1
Event30th International Conference on the Physics of Semiconductors, ICPS-30 - Seoul, Korea, Republic of
Duration: 2010 Jul 252010 Jul 30

Publication series

NameAIP Conference Proceedings
Volume1399
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference30th International Conference on the Physics of Semiconductors, ICPS-30
CountryKorea, Republic of
CitySeoul
Period10/7/2510/7/30

Keywords

  • ion channel
  • molecular dynamics
  • peptide nanotube

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Cite this

    Sumiya, N., Igami, D., & Takeda, K. (2011). Molecular dynamical study on ion channeling through peptide nanotube. In Physics of Semiconductors - 30th International Conference on the Physics of Semiconductors, ICPS-30 (pp. 1055-1056). (AIP Conference Proceedings; Vol. 1399). https://doi.org/10.1063/1.3666741