Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples

Chem Commun (Camb). 2018 Mar 28;54(25):3090-3093. doi: 10.1039/c7cc09891j. Epub 2018 Feb 7.

Abstract

We propose an approach to efficiently compress and denoise multidimensional NMR spectral data, improving their corresponding storage, handling, and analysis. This method has been tested with 2D homonuclear, 2D and 3D heteronuclear, and 2D phase-sensitive NMR spectral data and shown to be especially powerful for 2D NMR metabolomics studies.

MeSH terms

  • Alkanesulfonic Acids / analysis*
  • Alkanesulfonic Acids / metabolism
  • Magnetic Resonance Spectroscopy*
  • Metabolomics
  • Proteins / analysis*
  • Proteins / metabolism
  • Trimethylsilyl Compounds / analysis*
  • Trimethylsilyl Compounds / metabolism

Substances

  • Alkanesulfonic Acids
  • Proteins
  • Trimethylsilyl Compounds
  • 3-(trimethylsilyl)propanesulfonic acid