Distance measurements between boron and carbon at natural abundance using magic angle spinning REAPDOR NMR and a universal curve

2012 ◽  
Vol 14 (38) ◽  
pp. 13437 ◽  
Author(s):  
Evgeny Nimerovsky ◽  
Amir Goldbourt
Keyword(s):  
Magic Angle Spinning ◽  
Natural Abundance ◽  
Magic Angle ◽  
Universal Curve ◽  
Distance Measurements ◽  
Angle Spinning

scholarly journals Natural Abundance Oxygen-17 Solid-State NMR of Metal Organic Frameworks Enhanced by Dynamic Nuclear Polarization

2020 ◽  
Author(s):  
Diego Carnevale ◽  
Georges Mouchaham ◽  
Sujing Wang ◽  
Mathieu Baudin ◽  
Christian Serre ◽  
...  
Keyword(s):  
Dynamic Nuclear Polarization ◽  
Density Functional ◽  
Nuclear Polarization ◽  
Chemical Shifts ◽  
Metal Organic Frameworks ◽  
Magic Angle Spinning ◽  
Natural Abundance ◽  
Magic Angle ◽  
Metal Organic ◽  
Angle Spinning

The <sup>17</sup>O resonances of Zirconium-oxo clusters that can be found in porous Zr carboxylate metal-organic frameworks (MOFs) have been investigated by magic-angle spinning (MAS) NMR spectroscopy enhanced by dynamic nuclear polarization (DNP). High-resolution <sup>17</sup>O spectra at 0.037 % natural abundance could be obtained in 48 hours, thanks to DNP enhancement of the <sup>1</sup>H polarization by factors e(<sup>1</sup>H) = S<sub>with</sub>/S<sub>without </sub>= 28, followed by <sup>1</sup>H®<sup>17</sup>O cross-polarization, allowing a saving in experimental time by a factor of <i>ca</i>. 800. The distinct <sup>17</sup>O sites from the oxo-clusters can be resolved at 18.8 T. Their assignment is supported by density functional theory (DFT) calculations of chemical shifts and quadrupolar parameters.

scholarly journals Dihedral Angle Measurements for Structure Determination by Biomolecular Solid-State NMR Spectroscopy

2021 ◽  
Vol 8 ◽  
Author(s):  
Patrick C. A. van der Wel
Keyword(s):  
Solid State ◽  
Structure Determination ◽  
Solid State Nmr ◽  
Structural Information ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Distance Measurements ◽  
Challenges And Opportunities ◽  
Molecule Interactions ◽  
Angle Spinning

In structural studies of immobilized, aggregated and self-assembled biomolecules, solid-state NMR (ssNMR) spectroscopy can provide valuable high-resolution structural information. Among the structural restraints provided by magic angle spinning (MAS) ssNMR the canonical focus is on inter-atomic distance measurements. In the current review, we examine the utility of ssNMR measurements of angular constraints, as a complement to distance-based structure determination. The focus is on direct measurements of angular restraints via the judicious recoupling of multiple anisotropic ssNMR parameters, such as dipolar couplings and chemical shift anisotropies. Recent applications are highlighted, with a focus on studies of nanocrystalline polypeptides, aggregated peptides and proteins, receptor-substrate interactions, and small molecule interactions with amyloid protein fibrils. The review also examines considerations of when and where ssNMR torsion angle experiments are (most) effective, and discusses challenges and opportunities for future applications.

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