4.6 Article

Collection of NMR Scalar and Residual Dipolar Couplings Using a Single Experiment

Journal

CHEMISTRY-A EUROPEAN JOURNAL
Volume 22, Issue 2, Pages 472-476

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201503449

Keywords

alignment medium; DMSO; residual dipolar couplings; small molecules; structure elucidation

Funding

  1. NSF [CHE-0130903, CHE-1039870, CHE-1111684]
  2. Division Of Chemistry
  3. Direct For Mathematical & Physical Scien [1111684] Funding Source: National Science Foundation

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A new DMSO-compatible aligning gel based on cross-linked poly(2-hydroxylethyl methacrylate) (poly-HEMA) has been developed. Due to a significant difference in bulk magnetic susceptibility between the DMSO inside and outside the gel, it is possible to simultaneously collect isotropic and anisotropic NMR data, such as residual dipolar couplings (RDC), in the same NMR tube. RDC-assisted structural analysis of menthol and the alkaloid retrorsine is reported as proof of concept.

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