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Deuterium Rotating Frame NMR Relaxation Measurements in the Solid State under Static Conditions for Quantification of Dynamics.

Liliya VugmeysterDmitry Ostrovsky
Published in: Chemphyschem : a European journal of chemical physics and physical chemistry (2018)
The feasibility of static deuterium rotating frame NMR relaxation measurements for characterization of slow timescale motions in powder systems is demonstrated. Using a model compound dimethyl sulfone-d6 , we show that these measurements yield conformational exchange rates and activation energy values in accordance with results obtained with other techniques. Furthermore, we demonstrate that the full Liouvillian approach as opposed to the Redfield approximation is necessary to analyze the experimental data.
Keyphrases
  • solid state
  • single molecule
  • magnetic resonance
  • high resolution
  • molecular dynamics
  • electronic health record
  • big data
  • molecular dynamics simulations
  • mass spectrometry