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We present a density-functional theory based molecular-dynamics study of the structural, dynamical, and electronic properties of liquid methanol under ambient conditions. The calculated radial distribution functions involving the oxygen and…

Chemical Physics · Physics 2009-11-07 Jan-Willem Handgraaf , Titus S. van Erp , Evert Jan Meijer

Extensive molecular dynamics computer simulations have been conducted for ethanol-water liquid mixtures in the water-rich side of the composition range, with 10, 20 and 30 mol % of the alcohol, at temperatures between room temperature and…

Chemical Physics · Physics 2019-06-12 Szilvia Pothoczki , László Pusztai , Imre Bakó

The phonon scattering processes on the three solid phases of ethanol are investigated by means of thermal conductivity, light and neutron scattering measurements as well as molecular dynamics simulations on single-crystalline models for the…

Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-atom type. They were developed in preceding work using…

Chemical Physics · Physics 2009-06-10 Gabriela Guevara-Carrion , Carlos Nieto-Draghi , Jadran Vrabec , Hans Hasse

The presence of methyl alcohol or methanol (CH$_3$OH) in several astrophysical environments has been characterized by its high abundance that depends on both the production rate and the destruction rate. In the present work, the…

Astrophysics · Physics 2008-11-26 S. Pilling , R. Neves , A. C. F. Santos , H. M. Boechat-Roberty

The purpose of the present study is to evaluate changes in chromatin of human buccal epithelium under the influence of stressing factor - dosed physical activity. Investigations were performed in a group of students (13 men) of age 19-23.…

Cell Behavior · Quantitative Biology 2012-06-05 Yuriy Shckorbatov , Valeriy Samokhvalov , Dariya Bevziuk , Maxim Kovaliov

Poly(ethylene terephthalate) (PET) films are widely used in flexible electronics and optoelectronics, where their mechanical durability and optical performance under strain are essential for device reliability. This study investigates the…

Applied Physics · Physics 2025-02-17 Mahya Ghorab , Ayush K. Ranga , Patrice Donfack , Arnulf Materny , Veit Wagner , Mojtaba Joodaki

Recently, near-ambient superconductivity was claimed in nitrogen-doped lutetium hydride (LuH$_{3-\delta}$N$_{\epsilon}$) . Unfortunately, all follow-up research still cannot find superconductivity signs in successfully synthesized lutetium…

Superconductivity · Physics 2023-07-12 Run Lv , Wenqian Tu , Dingfu Shao , Yuping Sun , Wenjian Lu

Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa2Cu3O6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a…

Determination of the volume content of ethanol in the alcohol products in practice is usually determined by pycnometry, electronic densimetry, or densimetry using a hydrostatic balance in accordance with Commission Regulation No 2870/2000.…

Chemical Physics · Physics 2014-01-23 Siarhei Charapitsa , Nikita Kulevich , Svetlana Sytova , Yurii Yakuba

New X-ray and neutron diffraction experiments have been performed on ethanol-water mixtures as a function of decreasing temperature, so that such diffraction data are now available over the entire composition range. Extensive molecular…

Soft Condensed Matter · Physics 2021-08-05 Szilvia Pothoczki , Ildikó Pethes , László Pusztai , László Temleitner , Koji Ohara , Imre Bakó

Temperature dependent hydrogen bond energetics and dynamical features, such as the diffusion coefficient and reorientational times, have been determined for ethanol-water mixtures with 10, 20 and 30 mol % of ethanol. Concerning pairwise…

Chemical Physics · Physics 2019-06-12 Szilvia Pothoczki , László Pusztai , Imre Bakó

At 49 C erythrocytes undergo morphological changes due to an internal force, but the origin of the force that drives changes is not clear. Here we point out that our recent experiments on thermally induced force-release in hemoglobin can…

Biomolecules · Quantitative Biology 2018-07-04 S. G. Gevorkian , A. E. Allahverdyan , S. Gevorgyan , Wen-Jong Ma , Chin-Kun Hu

Experimental and computational investigations are carried out to elucidate the influence of ethanol addition on n-heptane auto-ignition in counterflows. An axisymmetric stream of air, temperature gradually increased, is directed onto the…

Chemical Physics · Physics 2024-06-14 Liang Ji , Kalyanasundaram Seshadri , Forman A. Williams

Theoretical calculations based on density functional theory have made significant contributions to our understanding of metal oxides, their surfaces, and the binding of molecules at these surfaces. In this paper we investigate the binding…

Materials Science · Physics 2007-05-23 Oyvind Borck , Elsebeth Schroder

This paper describes the appearance of abnormal film thickness features formed in elastohydrodynamic contacts lubricated by a fatty alcohol. Experiments were conducted by varying the slide to roll ratio between a steel ball and a glass disk…

Classical Physics · Physics 2007-05-23 Kazuyuki Yagi , Philippe Vergne

During beer production, yeast generate ethanol that is exported to the extracellular environment where it accumulates. Depending on the initial carbohydrate concentration in the wort a high concentration of ethanol can be achieved in beer,…

Subcellular Processes · Quantitative Biology 2020-01-08 Bianca de Paula Telini , Marcelo Menoncin , Diego Bonatto

We present neutron scattering measurements on the dynamics of hemoglobin (Hb) in human red blood cells in vivo. Global and internal Hb dynamics were measured in the ps to ns time- and {\AA} length-scale using quasielastic neutron…

Biological Physics · Physics 2011-04-11 Andreas Maximilian Stadler , Lambert van Eijck , Franz Demmel , Gerhard Artmann

It is worth mentioning that the high output of different physiological responses under the expression of vgb, may have a considerable effect on the enzyme productivity, dairy industry, heavy metal uptake, biodegradation of different organic…

Quantitative Methods · Quantitative Biology 2019-11-07 Haitham Qaralleh , Muhamad O. Al-limoun , Khaled M. Khleifat , Khaled Y Alsharafa , Amjad A. Al Tarawnehc

Oxygen-containing yttrium hydride thin films exhibit a photochromic behavior: transparent thin films switch from a transparent state to a photodarkened state after being illuminated with UV or blue light. This feature has attracted much…

Materials Science · Physics 2017-05-17 J. Montero , F. A. Martinsen , S. Zh. Karazhanov , B. C. Hauback , E. S. Marstein