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Studies of liquid water in its supercooled region have led to many insights into the structure and behavior of water. While bulk water freezes at its homogeneous nucleation temperature of approximately 235 K, for protein hydration water,…

Soft Condensed Matter · Physics 2015-03-13 Marco G. Mazza , Kevin Stokely , Sara E. Pagnotta , Fabio Bruni , H. Eugene Stanley , Giancarlo Franzese

The molecular mechanism of the solvent motion that is required to instigate the protein structural relaxation above a critical hydration level or transition temperature has yet to be determined. In this work we use quasi-elastic neutron…

Biomolecules · Quantitative Biology 2016-09-08 Daniela Russo , Greg Hura , Teresa Head-Gordon

The DNA double helix is a polyanionic macromolecule that in water solutions is neutralized by metal ions (counterions). The property of the counterions to stabilize the water network (positive hydration) or to make it friable (negative…

Biomolecules · Quantitative Biology 2020-03-24 Sergiy Perepelytsya

Positions of protons in DNA hydrogen bonds are fundamental for the fidelity of the replication process. Because the hydrogen bond is partially covalent the electronic structure of DNA plays an important role in the replication process.…

Strongly Correlated Electrons · Physics 2007-05-23 Chun-Min Chang , A. H. Castro Neto , A. R. Bishop

The effects of ionic ordering in DNA water solutions are studied by conductivity experiments. The conductivity measurements are performed for the solutions of DNA with KCl salt in the temperature range from 28 to 70 C. Salt concentration…

Biomolecules · Quantitative Biology 2014-01-06 O. O. Liubysh , O. M. Alekseev , S. Yu. Tkachov , S. M. Perepelytsya

We present a path-integral Monte Carlo study of dissociation in dense hydrogen ($1.75 \leq r_s \leq 2.2$, with $r_s$ the Wigner sphere radius). As temperature is lowered from $10^5$ to 5000 K, a molecular hydrogen gas forms spontaneously…

Condensed Matter · Physics 2009-10-28 W. R. Magro , D. M. Ceperley , C. Pierleoni , B. Bernu

We used high-resolution quasielastic neutron scattering spectroscopy to study the single-particle dynamics of water molecules on the surface of hydrated DNA samples. Both H2O and D2O hydrated samples were measured. The contribution of…

A new mechanism to form a magnetic pressure supported, high temperature corona above the photosphere of an accretion disk is explored using three dimensional radiation magneto-hydrodynamic (MHD) simulations. The thermal properties of the…

High Energy Astrophysical Phenomena · Physics 2015-06-18 Yan-Fei Jiang , James M. Stone , Shane W. Davis

Experiments and computer simulations have shown that the melt-ing temperature of solid hydrogen drops with pressure above about 65 GPa, suggesting that a liquid state might exist at low temperatures. It has also been suggested that this low…

We have managed to correlate the stability constants of complex formation, which can be registered in equilibrium state, to the dynamic characteristic of the complex lifetime. Thus, the principal concept of molecular biophysics regarding…

In the present work, we provide a dielectric study on two differently concentrated aqueous lysozyme solutions in the frequency range from 1 MHz to 40 GHz and for temperatures from 275 to 330 K. We analyze the three dispersion regions,…

Soft Condensed Matter · Physics 2012-03-29 M. Wolf , R. Gulich , P. Lunkenheimer , A. Loidl

We measured Young's modulus at temperatures ranging from 20 to 100 ^{\circ}$C for a collagen fibril taken from rat's tendon. The hydration change under heating and the damping decrement were measured as well. At physiological temperatures…

Soft Condensed Matter · Physics 2009-11-13 S. G. Gevorkian , A. E. Allahverdyan , D. S. Gevorgyan , A. L. Simonian

We use a recently developed coarse-grained model to simulate the overstretching of duplex DNA. Overstretching at 23C occurs at 74 pN in the model, about 6-7 pN higher than the experimental value at equivalent salt conditions. Furthermore,…

Biomolecules · Quantitative Biology 2013-06-25 Flavio Romano , Debayan Chakraborty , Jonathan P. K. Doye , Thomas E. Ouldridge , Ard. A. Louis

2H NMR spin-lattice relaxation and line-shape analyses are performed to study the temperature-dependent dynamics of water in the hydration shells of myoglobin, elastin, and collagen.

Soft Condensed Matter · Physics 2009-04-29 S. A. Lusceac , C. R. Herbers , M. Vogel

Using a combination of dielectric spectroscopy and solid-state deuteron NMR, the hydration water dynamics of connective tissue proteins is studied at sub-ambient temperatures. In this range, the water dynamics follows an Arrhenius law. A…

Soft Condensed Matter · Physics 2015-05-18 Sorin A. Lusceac , Markus Rosenstihl , Michael Vogel , Catalin Gainaru , Ariane Fillmer , Roland Böhmer

The hydrogen peroxide is present in the living cell at small concentrations that increase under the action of the heavy ion beams in the process of anticancer therapy. The interactions of hydrogen peroxide with DNA, proteins and other…

Biomolecules · Quantitative Biology 2020-04-27 S. M. Perepelytsya , J. Uličný , S. N. Volkov

First shells of hydration and bulk solvent plays a crucial role in the folding of proteins. Here, the role of water in the dynamics of proteins has been investigated using a theoretical protein-solvent model and a statistical physics…

Soft Condensed Matter · Physics 2015-05-27 Olivier Collet

Microwave heating of methane hydrate is investigated with electrostatic molecular dynamics simulations by the SPC/E water model. The structure I of methane hydrate is constructed. When the methane hydrate with a density of 0.91…

Chemical Physics · Physics 2023-11-27 Motohiko Tanaka , Motoyasu Sato , Shin Nakatani

Understanding how soft matter systems, including biological ones, can develop collective electromagnetic phenomena under external fields at ambient conditions remains a central challenge, as thermal fluctuations are generally expected to…

Biological Physics · Physics 2026-01-21 Mariusz Pietruszka

Interest in studying the interaction of small molecules with DNA is caused by the need to develop new, highly effective, and low-toxic drugs for cancer treatment. The strong and highly specific binding of thionine with DNA makes it a…

Biological Physics · Physics 2026-04-29 Evgeniya Usenko , Alexander Glamazda , Vladimir Valeev , Victor Karachevtsev
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