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We propose a model Hamiltonian for charge transfer along the DNA double helix with temperature driven fluctuations in the base pair positions acting as the rate limiting factor for charge transfer between neighboring base pairs. We compare…

软凝聚态物质 · 物理学 2009-10-31 R. Bruinsma , G. Gruner , M. R. D'Orsogna , J. Rudnick

An 1d model with time-dependent random hopping is proposed to describe charge transport in DNA. It admits to investigate both diffusion of electrons and their tunneling between different sites in DNA. The tunneling appears to be strongly…

软凝聚态物质 · 物理学 2009-11-07 E. I. Kats , V. V. Lebedev

We study the fluctuational dynamics of a tagged base-pair in double stranded DNA. We calculate the drift force which acts on the tagged base-pair using a potential model that describes interactions at base pairs level and use it to…

软凝聚态物质 · 物理学 2011-06-28 Shikha Srivastava , Yashwant Singh

We investigate the charge transfer characteristics of one and two excess charges in a DNA base-pair dimer using a model Hamiltonian approach. The electron part comprises diagonal and off-diagonal Coulomb matrix elements such a correlated…

强关联电子 · 物理学 2015-05-14 Sabine Tornow , Ralf Bulla , Frithjof B. Anders , Gertrud Zwicknagl

Charge transfer in a DNA duplex chain is studied by constructing a system with virtual electrodes connected at the ends of each DNA strand. The systeym is described by the tight-binding model and its transport is analyzed by the transfer…

介观与纳米尺度物理 · 物理学 2009-11-11 X. F. Wang , Tapash Chakraborty

Various charge migration mechanisms in the DNA are studied within the framework of the Peyrard-Bishop-Holstein model which has been widely used to address charge dynamics in this macromolecule. To analyze these mechanisms we consider…

生物物理 · 物理学 2022-09-14 R. P. A. Lima , A. V. Malyshev

Thermal oscillations of base pairs in the Peyrard-Bishop-Holstein model are simulated by stochastic fluctuations of base overlap integrals. Numerical investigation of the model is carried out for a hole transfer in $G_1A_2G_3G_4$ sequence…

化学物理 · 物理学 2013-03-27 A. S. Shigaev , O. A. Ponomarev , V. D. Lakhno

Charge transfer is considered in systems composed of a donor, an acceptor and bridge sites of (AT) nucleotide pairs. For a bridge consisting of 180 (AT) pairs, three cases are dealt with: a uniform case, when all the nucleotides in each…

生物物理 · 物理学 2013-04-22 N. S. Fialko , V. D. Lakhno

In this paper we report direct measurement of large low frequency temperature fluctuations in double stranded (ds) DNA when it undergoes thermal denaturation transition. The fluctuation, which occurs only in the temperature range where the…

统计力学 · 物理学 2007-05-23 K. S. Nagapriya , A. K. Raychaudhuri , Dipankar Chatterji

A statistical model of homopolymer DNA, coupling internal base pair states (unbroken or broken) and external thermal chain fluctuations, is exactly solved using transfer kernel techniques. The dependence on temperature and DNA length of the…

软凝聚态物质 · 物理学 2007-08-29 J. Palmeri , M. Manghi , N. Destainville

Measurements of electron transfer rates as well as of charge transport characteristics in DNA produced a number of seemingly contradictory results, ranging from insulating behaviour to the suggestion that DNA is an efficient medium for…

软凝聚态物质 · 物理学 2007-05-23 R. Bulla , R. Gutierrez , G. Cuniberti

Numerous experiments on charge transfer in DNA yield a contradictory picture of the transfer: on the one hand they suggest that it is a very slow process and the charge is almost completely localized on one Watson-Crick pair, but on the…

生物物理 · 物理学 2013-04-22 V. D. Lakhno , V. B. Sultanov

A method is proposed to select the suitable sets of potential parameters for a one-dimensional mesoscopic Hamiltonian model, first introduced to describe the DNA melting transition and later extended to investigate thermodynamic and…

软凝聚态物质 · 物理学 2020-12-09 Marco Zoli

Fluctuating-charge models are computationally efficient methods of treating polarization and charge-transfer phenomena in molecular mechanics and classical molecular dynamics simulations. They are also theoretically appealing as they are…

化学物理 · 物理学 2010-04-02 Jiahao Chen

Statistical DNA models available in the literature are often effective models where the base-pair state only (unbroken or broken) is considered. Because of a decrease by a factor of 30 of the effective bending rigidity of a sequence of…

软凝聚态物质 · 物理学 2008-01-28 John Palmeri , Manoel Manghi , Nicolas Destainville

Microscopic mechanisms of positive charge transfer in DNA remain unclear. A quantum state of electron hole in DNA is determined by the competition of a pi-stacking interaction $b$ smearing a charge between different base pairs and…

软凝聚态物质 · 物理学 2008-03-15 D. B. Uskov , A. L. Burin

The transfer of electrons and holes along DNA dimers, trimers and polymers is described at the base-pair level, using the relevant on-site energies of the base-pairs and the hopping parameters between successive base-pairs. The temporal and…

生物物理 · 物理学 2014-07-01 Constantinos Simserides

DNA denaturation has long been a subject of intense study due to its relationship to DNA transcription and its fundamental importance as a nonlinear, structural transition. Many aspects of this phenomenon, however, remain poorly understood.…

介观与纳米尺度物理 · 物理学 2011-06-16 Kirill A. Velizhanin , Chih-Chun Chien , Yonatan Dubi , Michael Zwolak

We develop a theory of fluctuation-driven phenomena in thermal transport in graphene double-layers. We work in the regime of electron hydrodynamics and focus on the double charge neutrality point. Although at the neutrality point charge…

介观与纳米尺度物理 · 物理学 2022-09-20 Alex Levchenko , Songci Li , A. V. Andreev

Microscopic mechanisms of positive charge transfer in DNA remain unclear. A quantum state of electron hole in DNA is determined by the competition of the pi-stacking interaction $b$ sharing a charge between different base pairs and the…

软凝聚态物质 · 物理学 2008-06-06 Dmitry B. Uskov , Alexander L. Burin
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