Nanoscale Structure and Dynamics in Geochemical Systems

Elements ◽  
2021 ◽  
Vol 17 (3) ◽  
pp. 169-174 ◽  
Author(s):  
Andrew G. Stack ◽  
Hsiu-Wen Wang ◽  
David R. Cole

Neutron scattering is a powerful tool to elucidate the structure and dynamics of systems that are important to geochemists, including ion association in complex aqueous solutions, solvent-exchange reactions at mineral–water interfaces, and reaction and transport of fluids in nanoporous materials. This article focusses on three techniques: neutron diffraction, which can reveal the atomic-level structure of aqueous solutions and solids; quasi-elastic neutron scattering, which measures the diffusional dynamics at mineral–water interfaces; and small-angle neutron scattering, which can show how properties of nanoporous systems change during gas, liquid, and solute imbibition and reaction. The usefulness and applicability of the experimental results are extended by rigorous comparison to computational simulations.

MRS Bulletin ◽  
1999 ◽  
Vol 24 (12) ◽  
pp. 40-47 ◽  
Author(s):  
J. Kent Blasie ◽  
Peter Timmins

The substantial power of both elastic and inelastic neutron-scattering techniques for the investigation of the structure and dynamics of biological systems and related biomolecular-based materials—as with soft matter in the previous article by Lindner and Wignall—arises primarily from the essentially isomorphous nature of the substitution of deuterium for selected hydrogen atoms in these systems, coupled with the exquisite sensitivity of neutron scattering to this isotopic substitution. Since these systems are comprised of large macromolecules and supramolecular assemblies thereof, their essential structures and dynamics extend from the atomic scale up to very large length scales of the Order of 101–104 Å. Hence neutron sources and neutron-scattering spectrometers optimized for longer wavelength (or “cold”) thermal neutrons are necessary in order to most effectively address the structure and dynamics at the longer length scales inherent to these Systems.The large majority of previous neutron-scattering experiments on biological systems have been performed with reactor neutron sources. Some of the more significant of these are briefly summarized in the following sections. They may be categorized in terms of the nature of the intermolecular order, both orientational and positional, within the System of interest and either the elastic neutron-scattering technique employed to investigate their time-averaged structures or the inelastic neutron-scattering technique employed to investigate their dynamics.


2014 ◽  
Vol 44 (6) ◽  
pp. 1536-1539 ◽  
Author(s):  
E. D. Specht ◽  
J. Ma ◽  
O. Delaire ◽  
J. D. Budai ◽  
A. F. May ◽  
...  

2002 ◽  
Vol 74 (0) ◽  
pp. s1339-s1341 ◽  
Author(s):  
V. Calandrini ◽  
A. Deriu ◽  
G. Onori ◽  
R.E. Lechner ◽  
J. Pieper

2009 ◽  
Vol 6 (suppl_5) ◽  
Author(s):  
Maria Grazia Ortore ◽  
Francesco Spinozzi ◽  
Paolo Mariani ◽  
Alessandro Paciaroni ◽  
Leandro R. S. Barbosa ◽  
...  

Small-angle X-ray scattering (SAXS) and elastic and quasi-elastic neutron scattering techniques were used to investigate the high-pressure-induced changes on interactions, the low-resolution structure and the dynamics of lysozyme in solution. SAXS data, analysed using a global-fit procedure based on a new approach for hydrated protein form factor description, indicate that lysozyme completely maintains its globular structure up to 1500 bar, but significant modifications in the protein–protein interaction potential occur at approximately 600–1000 bar. Moreover, the mass density of the protein hydration water shows a clear discontinuity within this pressure range. Neutron scattering experiments indicate that the global and the local lysozyme dynamics change at a similar threshold pressure. A clear evolution of the internal protein dynamics from diffusing to more localized motions has also been probed. Protein structure and dynamics results have then been discussed in the context of protein–water interface and hydration water dynamics. According to SAXS results, the new configuration of water in the first hydration layer induced by pressure is suggested to be at the origin of the observed local mobility changes.


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