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The molecular mobility of glass and supercooled liquid states of nilutamide has been studied with broadband dielectric spectroscopy for a wide range of temperature and frequency. Besides primary $\alpha$-relaxation an excess wing like…

Soft Condensed Matter · Physics 2016-06-21 N. S. K. Kumar , G. Govindaraj , U. Sailaja

We introduce a scheme based on machine learning and deep neural networks to model the environmental dependence of the electronic polarizability in insulating materials. Application to liquid water shows that training the network with a…

Chemical Physics · Physics 2020-06-24 Grace M. Sommers , Marcos F. Calegari Andrade , Linfeng Zhang , Han Wang , Roberto Car

We demonstrate an unexpected decay-recovery behaviour in the time-dependent $^{1}\mathrm{H}$ NMR relaxation times of water confined within a hydrating porous material. Our observations are rationalised by considering the combined effects of…

Mesoscale and Nanoscale Physics · Physics 2023-03-27 Neil Robinson , Razyq Nasharuddin , Einar O. Fridjonsson , Michael L. Johns

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

2H NMR is used to study the mechanisms for the reorientation of protein hydration water. In the past, crossovers in temperature-dependent correlation times were reported at T_x1=225K (X1) and T_x2=200K (X2). We show that neither X1 nor X2…

Soft Condensed Matter · Physics 2009-11-13 Michael Vogel

The impact of hydration on the reorientational dynamics of the deep eutectic solvent (DES) ethaline, a 2:1 molar mixture of ethylene glycol and choline chloride was studied. Its overall response was explored by means of shear mechanical…

Soft Condensed Matter · Physics 2024-10-16 Yannik Hinz , Roland Böhmer

In a floating water bridge the total radiation scattering of water stressed by a moderately strong electric field (1mV/nm) was compared to water without an applied electric field using X-ray and small angle neutron scattering. Structure…

Mesoscale and Nanoscale Physics · Physics 2016-03-25 Adam D. Wexler , Brigitte Bitschnau , Antonio Cervellino , Nicola Casati , Alan K. Soper , Jakob Woisetschläger , Elmar C. Fuchs

We investigated the dynamics of a series of room temperature ionic liquids based on the same 1-butyl-3-methyl imidazolium cation and different anions by means of broadband dielectric spectroscopy covering 15 decades in frequency…

Disordered Systems and Neural Networks · Physics 2009-11-11 Alberto Rivera , Ernst A. Roessler

Structural relaxation in the peptide model N-methylacetamide (NMA) is studied experimentally by ultrafast optical Kerr-effect spectroscopy over the normal-liquid temperature range and compared to the relaxation measured in water at room…

Chemical Physics · Physics 2009-04-07 David A. Turton , Klaas Wynne

An approach has been proposed to characterize the competitive association of D2O and to study the heterogeneity of hydration water adsorbed by the protein, immunoglobulin G, using methodology for determining of non-freezing water in mixed…

General Physics · Physics 2007-10-02 A. Goryunov , A. Kaivarainen

The structure and dynamics of fluids confined in nanoporous media differ from those in bulk, which can be probed using NMR relaxation measurements. We here show, using atomistic molecular dynamics simulations of water in a slit nanopore,…

Soft Condensed Matter · Physics 2025-01-30 Simon Gravelle , Benoit Coasne , Christian Holm , Alexander Schlaich

The present work emphasizes the relevance of low-field NMR relaxometry to investigate colloid-polymer hydrogels by probing water dynamics across a wide range of formulations between $\rm 10^{\circ}C$ and $\rm 80^{\circ}C$. By examining the…

Soft Condensed Matter · Physics 2026-03-16 Léo Hervéou , Gauthier Legrand , Thibaut Divoux , Guilhem P. Baeza

Refocalization sequences in Nuclear Magnetic Resonance (NMR) can in principle reverse the coherent evolution under the secular dipolar Hamiltonian of a closed system. We use this experimental strategy to study the effect of irreversible…

Hydrated proteins undergo a transition in the deeply supercooled regime, which is attributed to rapid changes in hydration water and protein structural dynamics. Here, we investigate the nanoscale stress relaxation in hydrated lysozyme…

To support a new interpretation of the origin of the dynamic heterogeneity observed pervasively in fragile liquids as they approach their glass transition temperatures Tg, we demonstrate that the introduction of ~2 nm structural…

Disordered Systems and Neural Networks · Physics 2010-12-14 Kazuhide Ueno , C. Austen Angell

Understanding the nature of solvated electrons is important in studying a range of chemical and biological phenomena. This study investigates the structural and dynamical behavior of an excess electron in water, examining different…

Computational Physics · Physics 2025-06-10 Ritama Kar , Nisanth N. Nair

Dynamic structuring of water is a key player in a large class of processes underlying biochemical and technological developments today, the latter often involving electric fields. However, the anisotropic coupling between the water…

Soft Condensed Matter · Physics 2019-05-29 Andreas Baer , Zoran Miličević , David M. Smith , Ana-Sunčana Smith

Water plays a major role in bio-systems, greatly contributing to determine their structure, stability and even function. It is well know, for instance, that proteins require a minimum amount of water to be functionally active. Since the…

Biological Physics · Physics 2019-04-05 Antonio Benedetto

Biomolecules couple to their aqueous environment through a variety of noncovalent interactions. Local structures at the surface of DNA and RNA are frequently determined by hydrogen bonds with water molecules, complemented by non-specific…

Chemical Physics · Physics 2019-09-10 Benjamin P. Fingerhut , Thomas Elsaesser

Binary mixtures of water with lower alcohols display non-linear phase behaviour upon mixing which are attributed to potential cluster formation at molecular level. Unravelling such elusive structures requires the investigation of…

Soft Condensed Matter · Physics 2023-10-09 Riccardo Morbidini , Robert M. Edkins , Mark Devonport , Gøran Nilsen , Tilo Seydel , Katharina Edkins