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We show that a mesoscale model, with a minimal number of parameters, can well describe the thermomechanical and mechanochemical behavior of homogeneous DNA at thermal equilibrium under tension and torque. We predict critical temperatures…

Biomolecules · Quantitative Biology 2015-06-22 Cristiano Nisoli , A. R. Bishop

One of the most important topics in molecular biology is the genetic stability of DNA. One threat to this stability is proton transfer along the hydrogen bonds of DNA that could lead to tautomerisation, hence creating point mutations. We…

Biological Physics · Physics 2021-10-04 Louie Slocombe , Marco Sacchi , Jim Al-Khalili

The electrical properties of DNA molecules are investigated by charge injection and electric force microscopy experiments. Prior to injection, DNA molecules exhibit a weak positively charged state. We probe the electrical behaviour of DNA…

Materials Science · Physics 2009-11-10 Thomas Heim , Thierry Melin , Dominique Deresmes , Dominique Vuillaume

We consider a polaron model where molecular \emph{rotations} are important. Here, the usual hopping between neighboring sites is affected directly by the electron-phonon interaction via a {\em twist-dependent} hopping amplitude. This model…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Wei Zhang , Alexander O. Govorov , Sergio E. Ulloa

It is generally difficult to predict the positions of mutations in genomic DNA at the nucleotide level. Retroviral DNA insertion is one mode of mutation, resulting in host infections that are difficult to treat. This mutation process…

Biological Physics · Physics 2017-07-04 Tatsuaki Tsuruyama

Charge transfer can take place along double helical DNA over distances as long as 30 nanometers. However, given the active role of the thermal environment surrounding charge carriers in DNA, physical mechanisms driving the transfer process…

Mesoscale and Nanoscale Physics · Physics 2020-12-04 Roman Korol , Dvira Segal

It is a standard exercise in mechanical engineering to infer the external forces and torques on a body from its static shape and known elastic properties. Here we apply this kind of analysis to distorted double-helical DNA in complexes with…

Biomolecules · Quantitative Biology 2009-11-13 Nils B. Becker , Ralf Everaers

Cytosine methylation has been found to play a crucial role in various biological processes, including a number of human diseases. The detection of this small modification remains challenging. In this work, we computationally explore the…

Biological Physics · Physics 2017-02-21 Jianqing Qi , Niranjan Govind , M. P. Anantram

We have investigated the effects of either distorting hydrogen bonds or removing proton degeneracy on the thermodynamic properties of a minimal model for associating liquids. The presence of two liquid phases and a density anomaly is…

Soft Condensed Matter · Physics 2007-05-23 Aline Balladares , Vera B. Henriques , Marcia C. Barbosa

We analyze in detail the electronic properties of high pressure hydrogen around the liquid-liquid phase transition based on Coupled Electron-Ion Monte Carlo calculations. Computing the off-diagonal single particle density matrix and the…

Materials Science · Physics 2022-01-26 Carlo Pierleoni , Giovanni Rillo , David M. Ceperley , Markus Holzmann

The statistical physics of homogeneous DNA is investigated by the imaginary time path integral formalism. The base pair stretchings are described by an ensemble of paths selected through a macroscopic constraint, the fulfillement of the…

Statistical Mechanics · Physics 2009-04-30 Marco Zoli

The possible role of quantum effects in transfer of genetic information is studied. It's argued that the nucleotides selection during DNA replication is performed by means of proton tunneling between nucleotide and DNA-polimerase bound by…

Other Quantitative Biology · Quantitative Biology 2007-05-23 S. Mayburov , C. Nicolini , V. Sivozhelezov

The lowest-lying states of LiH have been widely used to develop and calibrate many different methods in quantum mechanics. In this paper we show that the electron-transfer processes occurring in these two states are a difficult test for…

The process of radiation induced electron capture by protons or deuterons producing new ultra low momentum neutrons and neutrinos may be theoretically described within the standard field theoretical model of electroweak interactions. For…

Nuclear Theory · Physics 2007-09-25 A. Widom , L. Larsen

The experimental conditions by which electromagnetic signals (EMS) of low frequency can be emitted by diluted aqueous solutions of some bacterial and viral DNAs are described. That the recorded EMS and nanostructures induced in water carry…

We illustrate the description of correlated subsystems by studying the simple two-body Hydrogen atom. We study the entanglement of the electron and proton coordinates in the exact analytical solution. This entanglement, which we quantify in…

Quantum Physics · Physics 2009-10-30 Paolo Tommasini , Eddy Timmermans , A. F. R. de Toledo Piza

Kinetic theory and thermodynamics are applied to DNA polymerases with exonuclease activity, taking into account the dependence of the rates on the previously incorportated nucleotide. The replication fidelity is shown to increase…

Subcellular Processes · Quantitative Biology 2018-01-04 Pierre Gaspard

Here we derive and experimentally test a free energy functional that captures the adhesion of DNA-coated emulsion droplets. Generalizing previous approaches, the theory combines important energetic and entropic effects of microscopic DNA…

Soft Condensed Matter · Physics 2024-06-14 Nicolas Judd , Angus McMullen , Sascha Hilgenfeldt , Jasna Brujic

A solid-state nanopore can electrophoretically capture a DNA molecule and pull it through in a folded configuration. The resulting ionic current signal indicates where along its length the DNA was captured. A statistical study using an 8 nm…

Biological Physics · Physics 2015-06-11 Mirna Mihovilovic , Nick Hagerty , Derek Stein

Long range charge transfer experiments in DNA oligomers and the subsequently measured -- and very diverse -- transport response of DNA wires in solid state experiments exemplifies the need for a thorough theoretical understanding of charge…

Genomics · Quantitative Biology 2015-05-13 G. Cuniberti , E. Macia , A. Rodriguez , R. A. Römer