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

Department of Physics, National and Kapodistrian University of Athens, Panepistimiopolis, Zografos, 15784 Athens, Greece
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Symmetry 2019, 11(8), 968; https://doi.org/10.3390/sym11080968
Received: 30 June 2019 / Revised: 11 July 2019 / Accepted: 11 July 2019 / Published: 1 August 2019
(This article belongs to the Special Issue Symmetry and Asymmetry in Quasicrystals or Amorphous Materials)
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Abstract

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. View Full-Text
Keywords: nucleic acids; aperiodic; quasiperiodic; fractal; order; disorder; energy structure; charge transport nucleic acids; aperiodic; quasiperiodic; fractal; order; disorder; energy structure; charge transport
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Lambropoulos, K.; Simserides, C. Tight-Binding Modeling of Nucleic Acid Sequences: Interplay between Various Types of Order or Disorder and Charge Transport. Symmetry 2019, 11, 968.

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