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We systematically examine all the tight-binding parameters pertinent to charge transfer along DNA. The $\pi$ molecular structure of the four DNA bases (adenine, thymine, cytosine, and guanine) is investigated by using the linear combination…

Biological Physics · Physics 2010-08-20 L. G. D. Hawke , G. Kalosakas , C. Simserides

The evolution of mobile cellular networks has brought great changes of network architecture. For example, heterogeneous cellular network (HetNet) and Ultra dense network (UDN) have been proposed as promising techniques for 5G systems. Dense…

Networking and Internet Architecture · Computer Science 2015-10-14 Lan Zhang , Feng Gang , Qin Shuang

In many organic molecules the strong coupling of excess charges to vibrational modes leads to the formation of polarons, i.e., a localized state of a charge carrier and a molecular deformation. Incoherent hopping of polarons along the…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Benjamin B. Schmidt , Matthias H. Hettler , Gerd Schön

The electrical conductance of molecular junctions may strongly depend on the temperature, and weakly on molecular length, under two distinct mechanisms: phase-coherent resonant conduction, with charges proceeding via delocalized molecular…

Mesoscale and Nanoscale Physics · Physics 2017-12-25 Hyehwang Kim , Dvira Segal

Recent experiments [J. van Mameren et al. PNAS 106, 18231 (2009)] provide a detailed spatial picture of overstretched DNA, showing that under certain conditions the two strands of the double helix separate at about 65 pN. It was proposed…

Soft Condensed Matter · Physics 2011-03-14 Stephen Whitelam , Phillip L. Geissler , Sander Pronk

While the thermodynamics of DNA hybridization is well understood, much less is known about the kinetics of this classic system. Filling this gap in our understanding has new urgency because DNA nanotechnology often depends critically on…

Soft Condensed Matter · Physics 2013-10-28 Thomas E. Ouldridge , Petr Šulc , Flavio Romano , Jonathan P. K. Doye , Ard A. Louis

Experiments have revealed correlation-driven behavior of DNA in charged solutions, including charge inversion and condensation. This paper presents calculations of a lattice-gas model of charge inversion for the adsorption of charged dimers…

Soft Condensed Matter · Physics 2019-02-15 Matthew D. Sievert , Marilyn F. Bishop , Tom McMullen

Single molecule experiments on B-DNA stretching have revealed one or two structural transitions, when increasing the external force. They are characterized by a sudden increase of DNA contour length and a decrease of the bending rigidity.…

Soft Condensed Matter · Physics 2012-10-25 Manoel Manghi , Nicolas Destainville , John Palmeri

The chiral nature of DNA plays a crucial role in cellular processes. Here we use magnetic tweezers to explore one of the signatures of this chirality, the coupling between stretch and twist deformations. We show that the extension of a…

Biomolecules · Quantitative Biology 2009-09-29 Timothee Lionnet , Sylvain Joubaud , Richard Lavery , David Bensimon , Vincent Croquette

The thermal conductivity of B-form double-stranded DNA (dsDNA) of the Drew-Dickerson sequence d(CGCGAATTCGCG) is computed using classical Molecular Dynamics (MD) simulations. In contrast to previous studies, which focus on a simplified 1D…

Computational Physics · Physics 2021-02-09 Vignesh Mahalingam , Dineshkumar Harursampath

We here present a variable-range hopping model to describe the chirality-induced spin selectivity along the DNA double helix. In this model, DNA is considered as a one-dimensional disordered system, where electrons are transported by chiral…

Mesoscale and Nanoscale Physics · Physics 2024-05-01 Ryotaro Sano , Takeo Kato

The accurate knowledge of the elastic properties of single-stranded DNA (ssDNA) is key to characterize the thermodynamics of molecular reactions that are studied by force spectroscopy methods where DNA is mechanically unfolded. Examples…

Soft Condensed Matter · Physics 2021-10-19 X. Viader-Godoy , M. Manosas , F. Ritort

We show that the coherence of charge transfer through a weakly coupled double-dot dimer can be determined by analyzing the statistics of the conductance pattern, and does not require large phase coherence length in the host material. We…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 L. P. Rokhinson , L. J. Guo , S. Y. Chou , D. C. Tsui , E. Eisenberg , R. Berkovits , B. L. Altshuler

The dependence of DNA assemblies conductance on relative humidity is investigated theoretically. Following earlier suggestions, we consider the ionic conductivity through the layers of water adsorbed by DNA molecules. The increase in…

Chemical Physics · Physics 2015-05-14 J. M. Leveritt , S. Tesar , C. Dibaya , R. Shrestha , A. L. Burin

The sequence-dependent elasticity of double-helical DNA on a nm length scale can be captured by the rigid base-pair model, whose strains are the relative position and orientation of adjacent base-pairs. Corresponding elastic potentials have…

Biomolecules · Quantitative Biology 2013-05-29 Nils B. Becker , Ralf Everaers

The mechanism of threshold elongation (overstretching) of DNA macromolecules under the action of external force is studied within the framework of phenomenological approach. When considering the task it is taken into account that…

Biomolecules · Quantitative Biology 2016-02-22 Sergey N. Volkov

We investigate the coherent transport properties of a DNA chain on a substrate which is subjected to a uniform electric field perpendicular to the surface. On the basis of the effective tight-binding model which simulates charge transport…

Mesoscale and Nanoscale Physics · Physics 2015-06-29 Zhi-Jie Qin , Le Wang , Gui-Ping Zhang

Surface morphology of high mobility heterostructures is examined and correlated with d.c. transport. {\it All} samples examined show evidence of lines in the [1$\bar{1}$0] direction with roughness ranging from small amplitude features to…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 R. L. Willett , J. W. P. Hsu , D. Natelson , K. W. West , L. N. Pfeiffer

The electron transport in a four-terminal nanodevice consisting of two crossed nanotubes is investigated in the framework of the Landauer-Buttiker formalism. The evident formula for the ballistic conductance of the device is found using a…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 Viktor Margulis , Mikhail Pyataev

Minuscule molecular forces can transform DNA into a structure that is elongated by more than half its original length. We demonstrate that this pronounced conformational transition is of relevance to ongoing experimental and theoretical…

Materials Science · Physics 2010-07-06 Paul Maragakis , Ryan Lee Barnett , Efthimios Kaxiras , Marcus Elstner , Thomas Frauenheim
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