Determination of spin-spin couplings from ultrahigh resolution 3D NMR spectra obtained by optimized random sampling and multidimensional Fourier transformation

J Am Chem Soc. 2008 Apr 23;130(16):5404-5. doi: 10.1021/ja800622p. Epub 2008 Apr 1.

Abstract

An example of precise evaluation of backbone scalar J couplings using random sampling of evolution time space in 3D NMR experiments is presented. The recorded spectrum, due to violation of the Nyquist theorem limitation, exhibits ultrahigh resolution in indirect dimensions compared to standard NMR experiment acquired at the same time. The obtained results enable simple and accurate evaluation of scalar and residual dipolar couplings from a single multidimensional NMR experiment.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon Isotopes / analysis
  • Carbon Isotopes / chemistry
  • Cyanates / analysis*
  • Cyanates / chemistry
  • Fourier Analysis*
  • Magnetic Resonance Spectroscopy / methods*
  • Quantum Theory
  • Staining and Labeling

Substances

  • Carbon Isotopes
  • Cyanates
  • isocyanic acid