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Solid-state NMR spectroscopy: A tool for molecular-level structure analysis and dynamics
Published in Elaine DiMasi, Laurie B. Gower, Biomineralization Sourcebook, 2014
groups and have the potential to provide quantitative information. In the future, this will be used to provide structural constraints for quantitative structural modeling of key sections of the organic matrix in biominerals. Improved methodology for so-called quadrupolar nuclei such as 43Ca and 17O and higher magnetic fields for NMR spectrometers in the future may allow further detailed structural information on mineral phases not yet accessed. As computational methodologies improve and resolution is gained in NMR spectra by working at higher magnetic fields, for instance, there are very real possibilities for determining accurate, quantitative molecular and crystal structures using a combined NMR/XRD/computational approach (commonly referred to as "NMR crystallography").
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Published in Molecular Physics, 2018
Complex nanostructures underpin the organisation of life on a molecular level as well as functional materials. Structural research into soft matter is led by the structure–function paradigm. Nuclear magnetic resonance (NMR), crystallography and high-resolution microscopy are very powerful methods for the determination of macromolecular structures. It becomes, however, very complex to study macromolecules within the context of their functional environment with all interacting molecules. Here, methods that allow monitoring the assembly and geometric arrangement of large complexes are very powerful. Electron paramagnetic resonance (EPR) is such a technique that can provide insights into the long-range topology, multimerisation and dynamic flexibility of large assemblies. This can be invaluable for understanding the interactions of macromolecules and the structural changes during function. It seems that much of the potential of EPR for structure determination has yet to be explored.