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NOAH: NMR Supersequences for Small Molecule Analysis and Structure Elucidation.

Ēriks KupčeTimothy D W Claridge
Published in: Angewandte Chemie (International ed. in English) (2017)
Nested NMR experiments combining up to five conventional NMR pulse sequences into one supersequence are introduced. The core 2D NMR techniques routinely employed in small molecule NMR spectroscopy, such as HSQC, HMQC, HMBC, COSY, NOESY, TOCSY, and similar, can be recorded in a single measurement. In this way the data collection time may be dramatically reduced and sample throughput increased for basic NMR applications, such as structure elucidation and verification in synthetic, medicinal, and natural product chemistry.
Keyphrases
  • small molecule
  • magnetic resonance
  • solid state
  • high resolution
  • protein protein
  • blood pressure
  • machine learning
  • electronic health record
  • data analysis