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Volumn 109, Issue 47, 2005, Pages 22301-22307

Strain-dependence of the electronic properties in periodic quadruple helical G4-wires

Author keywords

[No Author keywords available]

Indexed keywords

BANDWIDTH; DNA; ELECTRONS; MOLECULES; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS; SOLUTIONS; STRAIN MEASUREMENT;

EID: 29144447300     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054274q     Document Type: Article
Times cited : (22)

References (31)
  • 4
  • 19
    • 0003461218 scopus 로고    scopus 로고
    • Atwood, J. L., Davies, J. E. D., MacNicol, D. D., Vögtle, F., Eds.; Pergamon: Elmsford, NY
    • Electron transfer through the helix is most likely due to the intrinsic electronic structure of the base stack. Note, however, that guanine quadruplexes are formed both with a DNA-like backbone of sugar rings and phosphates and without it. In the latter case, the guanines are usually decorated by lateral alkyl chains. See, e.g., ref 1 and: Gottarelli, G.; Spada, G. P.; Garbesi, A. In Comprehensive Supramolecular Chemistry; Atwood, J. L., Davies, J. E. D., MacNicol, D. D., Vögtle, F., Eds.; Pergamon: Elmsford, NY, 1996; Vol. 9.
    • (1996) Comprehensive Supramolecular Chemistry , vol.9
    • Gottarelli, G.1    Spada, G.P.2    Garbesi, A.3
  • 23
    • 29144449735 scopus 로고    scopus 로고
    • note
    • Note that these are values computed within DFT. They are affected by an underestimate which may be as large as 50% of the real band gap and are, hence, unreliable for a quantitative absolute analysis. However, they may be used for a comparative analysis to understand the trends induced by the application of strain to the wires.
  • 24
    • 29144468574 scopus 로고    scopus 로고
    • note
    • The band dispersion is the dependence of the energy, for a given energy level, on the wave vector associated with the axial direction: this quantity contains the details of the shape of a band. The bandwidth is instead the total amplitude of a given band, e.g., the difference between the maximum and the minimum energy values in the band.
  • 27
    • 0343442500 scopus 로고    scopus 로고
    • The increase of the HOMO-manifold bandwidth upon reducing the interplane separation in G4-wires is consistent with the increase of transfer integrals in stacked GC pairs under similar compression conditions reported earlier by: Voityuk, A. A.; Rösch, N.; Bixon, M.; Jortner, J. J. Phys. Chem. B 2000, 104, 9740-9745.
    • (2000) J. Phys. Chem. B , vol.104 , pp. 9740-9745
    • Voityuk, A.A.1    Rösch, N.2    Bixon, M.3    Jortner, J.4
  • 28
    • 29144441938 scopus 로고    scopus 로고
    • note
    • We point out that interplane wave function coupling is not so effective between different 12-plets as in the same 12-plet, because of the different charge distributions of the guanine orbitals in the HOMO, HOMO-1, etc.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.