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The dynamics of water in aqueous solutions of three homologous disaccharides, namely trehalose, maltose and sucrose, has been analyzed by means of molecular dynamics simulations in the 0-66 wt % concentration range. The low-frequency…

Soft Condensed Matter · Physics 2015-05-19 Adrien Lerbret , Frederic Affouard , Patrice Bordat , Alain Hedoux , Yannick Guinet , Marc Descamps

Water and glycerol are well-known to facilitate the structural relaxation of amorphous protein matrices. However, several studies evidenced that they may also limit fast ($\sim$ pico-nanosecond, ps-ns) and small-amplitude ($\sim$ \AA )…

Soft Condensed Matter · Physics 2017-10-03 Adrien Lerbret , Frédéric Affouard

Water is vital for life, and without it biomolecules and cells cannot maintain their structures and functions. The remarkable properties of water originate from its ability to form hydrogen-bonding networks and dynamics, which the…

Soft Condensed Matter · Physics 2023-06-01 Nguyen Q. Vinh , Luan C. Doan , Ngoc L. H. Hoang , Jiarong R. Cui , Ben Sindle

The density and orientational relaxation of bulk water can be separately studied by depolarized light scattering (DLS) and dielectric spectroscopy (DS), respectively. Here we ask the question of what are the leading collective modes…

Soft Condensed Matter · Physics 2014-02-26 Daniel R. Martin , Daniele Fioretto , Dmitry V. Matyushov

The structural properties resulting from the reciprocal influence between water and three well-known homologous disaccharides, namely trehalose, maltose and sucrose, in aqueous solutions have been investigated in the 4-66 wt % concentration…

Other Condensed Matter · Physics 2007-05-23 A. Lerbret , P. Bordat , F. Affouard , M. Descamps , F. Migliardo

We investigate dynamical coupling between water and amino acid side-chain residues in solvation dynamics by selecting residues often used as natural probes, namely tryptophan, tyrosine and histidine, located at different positions on…

Biomolecules · Quantitative Biology 2017-08-04 Sayantan Mondal , Saumyak Mukherjee , Biman Bagchi

Water hydrating phospholipid membranes determine their stability and function, as well as their interaction with other molecules. In this article we study, using all-atom molecular dynamics simulations, the rotational and translational…

Soft Condensed Matter · Physics 2016-05-25 Carles Calero , H. Eugene Stanley , Giancarlo Franzese

We report relaxation dynamics of glycerol-water mixtures as probed by megahertz-to-terahertz dielectric spectroscopy in a frequency range from 50 MHz to 0.5 THz at room temperature. The dielectric relaxation spectra reveal several…

Chemical Physics · Physics 2019-09-04 Ali Charkhesht , Djamila Lou , Ben Sindle , Chengyuan Wen , Shengfeng Cheng , Nguyen Q. Vinh

Traces of water can profoundly alter the dielectric response of functional oxides, yet such effects have remained largely unrecognized in systems where colossal dielectric behaviour has been widely reported. Here, we investigate the impact…

Materials Science · Physics 2026-03-26 Subir Majumder , Gilad Orr , Paul Ben-Ishai

Studying the changed water dynamics in the hydration layers of biomolecules is an important step towards fuller understanding of their function and mechanisms, but has shown to be quite difficult. The measurement of the time-dependent…

Chemical Physics · Physics 2021-05-20 Esther Heid , Christian Schröder

We use molecular dynamics computer simulations and nuclear magnetic resonance experiments to investigate the dynamics of water at interfaces of molecular roughness and low mobility. We find that, when approaching such interfaces, the…

Soft Condensed Matter · Physics 2014-07-22 Markus Rosenstihl , Kerstin Kämpf , Felix Klameth , Matthias Sattig , Michael Vogel

Performing molecular dynamics simulations, we investigate the enormous slowdowns of water dynamics when approaching a glass transition or a solid interface. We show that both effects can be described on common grounds within a theoretical…

Soft Condensed Matter · Physics 2015-06-19 Felix Klameth , Michael Vogel

The influence of three well-known disaccharides, namely trehalose, maltose and sucrose, on some structural and dynamical properties of lysozyme has been investigated by means of molecular dynamics computer simulations in the 37-60 wt %…

Chemical Physics · Physics 2007-06-12 A. Lerbret , P. Bordat , F. Affouard , A. Hedoux , Y. Guinet , M. Descamps

Glycerol and trehalose-glycerol binary solutions are glass-forming liquids with remarkable bioprotectant properties. Incoherent quasielastic neutron scattering (QENS) is used to reveal the different effects of nanoconfinement and addition…

The dielectric relaxation of water in glassy aqueous binary mixtures exhibits an Arrhenius behaviour with a nearly universal activation energy. We here demonstrate that its characteristic relaxation time follows a remarkably general…

Water activity and its relationship with interactions stabilising lamellar stacks of mixed lipid bilayers in their fluid state are investigated by means of osmotic pressure measurements coupled with small-angle x-ray scattering. The…

Active matter exhibits various forms of non-equilibrium states in the absence of external forcing, including macroscopic steady-state currents. Such states are often too complex to be modelled from first principles and our understanding of…

Soft Condensed Matter · Physics 2020-09-17 Viktor Škultéty , Cesare Nardini , Joakim Stenhammar , Davide Marenduzzo , Alexander Morozov

We use computer simulations to study the relaxation dynamics of a model for oil-in-water microemulsion droplets linked with telechelic polymers. This system exhibits both gel and glass phases and we show that the competition between these…

Soft Condensed Matter · Physics 2015-05-29 Pinaki Chaudhuri , Pablo I. Hurtado , Ludovic Berthier , Walter Kob

A possible role of quantum effects, such as tunneling and zero-point energy, in the structural dynamics of supercooled liquids is studied by dielectric spectroscopy. Presented results demonstrate that the liquids, bulk 3-methylpentane 3MP…

Soft Condensed Matter · Physics 2017-01-04 A. Agapov , V. N. Novikov , A. Kisliuk , R. Richert , A. P. Sokolov

We perform molecular dynamics simulations using the extended simple point charge SPC/E water model in order to investigate the dynamical behavior of supercooled-stretched water. We focus on the behavior of the translational diffusion…

Statistical Mechanics · Physics 2007-05-23 P. A. Netz , F. Starr , M. C. Barbosa , H. Eugene Stanley
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