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Tight-Binding Modeling of Nucleic Acid Sequences: Interplay between Various Types of Order or Disorder and Charge Transport

期刊

SYMMETRY-BASEL
卷 11, 期 8, 页码 -

出版社

MDPI
DOI: 10.3390/sym11080968

关键词

nucleic acids; aperiodic; quasiperiodic; fractal; order; disorder; energy structure; charge transport

资金

  1. Hellenic Foundation for Research and Innovation (HFRI)
  2. General Secretariat for Research and Technology (GSRT), under the HFRI PhD Fellowship grant [260]

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This review is devoted to tight-binding (TB) modeling of nucleic acid sequences like DNA and RNA. It addresses how various types of order (periodic, quasiperiodic, fractal) or disorder (diagonal, non-diagonal, random, methylation et cetera) affect charge transport. We include an introduction to TB and a discussion of its various submodels [wire, ladder, extended ladder, fishbone (wire), fishbone ladder] and of the process of renormalization. We proceed to a discussion of aperiodicity, quasicrystals and the mathematics of aperiodic substitutional sequences: primitive substitutions, Perron-Frobenius eigenvalue, induced substitutions, and Pisot property. We discuss the energy structure of nucleic acid wires, the coupling to the leads, the transmission coefficients and the current-voltage curves. We also summarize efforts aiming to examine the potentiality to utilize the charge transport characteristics of nucleic acids as a tool to probe several diseases or disorders.

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