X-ray and neutron scattering of water

K Amann-Winkel, MC Bellissent-Funel, LE Bove… - Chemical …, 2016 - ACS Publications
This review article focuses on the most recent advances in X-ray and neutron scattering
studies of water structure, from ambient temperature to the deeply supercooled and …

Neutron scattering in the biological sciences: progress and prospects

R Ashkar, H Bilheux, H Bordallo, R Briber… - … Section D: Structural …, 2018 - journals.iucr.org
The scattering of neutrons can be used to provide information on the structure and dynamics
of biological systems on multiple length and time scales. Pursuant to a National Science …

Dynamical transition of protein-hydration water

W Doster, S Busch, AM Gaspar, MS Appavou, J Wuttke… - Physical review …, 2010 - APS
Thin layers of water on biomolecular and other nanostructured surfaces can be supercooled
to temperatures not accessible with bulk water. Chen et al.[Proc. Natl. Acad. Sci. USA 103 …

Core-shell magnetic morphology of structurally uniform magnetite nanoparticles

KL Krycka, RA Booth, CR Hogg, Y Ijiri, JA Borchers… - Physical review …, 2010 - APS
A new development in small-angle neutron scattering with polarization analysis allows us to
directly extract the average spatial distributions of magnetic moments and their correlations …

Role of hydration water in the onset of protein structural dynamics

G Schirò, M Weik - Journal of Physics: Condensed Matter, 2019 - iopscience.iop.org
Proteins are the molecular workhorses in a living organism. Their 3D structures are
animated by a multitude of equilibrium fluctuations and specific out-of-equilibrium motions …

Hierarchical molecular dynamics of bovine serum albumin in concentrated aqueous solution below and above thermal denaturation

M Grimaldo, F Roosen-Runge, M Hennig… - Physical Chemistry …, 2015 - pubs.rsc.org
The dynamics of proteins in solution is a complex and hierarchical process, affected by the
aqueous environment as well as temperature. We present a comprehensive study on …

Extension of the LOPLS-AA force field for alcohols, esters, and monoolein bilayers and its validation by neutron scattering experiments

K Pluhackova, H Morhenn, L Lautner… - The Journal of …, 2015 - ACS Publications
The recently presented LOPLS-AA all-atom force field for long hydrocarbon chains, based
on the OPLS-AA force field, was extended to alcohols, esters, and glyceryl monooleate …

Decoupling of the Onset of Anharmonicity between a Protein and Its Surface Water around 200 K

L Zheng, B Zhou, B Wu, Y Tan, J Huang, M Tyagi… - Elife, 2024 - elifesciences.org
The protein dynamical transition at~ 200 K, where the biomolecule transforms from a
harmonic, non-functional form to an anharmonic, functional state, has been thought to be …

[HTML][HTML] CHESS: The future direct geometry spectrometer at the second target station

G Sala, M Mourigal, C Boone, NP Butch… - Review of Scientific …, 2022 - pubs.aip.org
CHESS, chopper spectrometer examining small samples, is a planned direct geometry
neutron chopper spectrometer designed to detect and analyze weak signals intrinsic to …

Physical origin of anharmonic dynamics in proteins: new insights from resolution-dependent neutron scattering on homomeric polypeptides

G Schiró, F Natali, A Cupane - Physical Review Letters, 2012 - APS
Neutron scattering reveals a complex dynamics in polypeptide chains, with two main onsets
of anharmonicity whose physical origin and biological role are still debated. In this study the …