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"One-Shot" Measurement of Residual Chemical Shift Anisotropy Using Poly-γ-benzyl-l-glutamate as an Alignment Medium.

Michael J J RecchiaRyan D CohenYizhou LiuEdward C ShererJames K HarperGary E MartinRobert Thomas Williamson
Published in: Organic letters (2020)
A method for the measurement of residual chemical shift anisotropy in one experiment using a biphasic isotropic/anisotropic lyotropic liquid crystalline medium based on poly-γ-benzyl-l-glutamate as the alignment medium is presented. This approach is demonstrated on the model compound strychnine and neotricone, a depsidone natural product with a questionable structural assignment based on comparison with the closely related excelsione and in-depth density functional theory calculations.
Keyphrases
  • density functional theory
  • molecular dynamics
  • ionic liquid
  • optical coherence tomography
  • molecular dynamics simulations
  • room temperature