Analyses, extensions and comparison of three experimental schemes for measuring ((n)J(CH)+D(CH))-couplings at natural abundance

J Magn Reson. 2007 May;186(1):131-41. doi: 10.1016/j.jmr.2007.02.005. Epub 2007 Feb 12.

Abstract

Three types of experiments for measuring (n)J(CH) heteronuclear long-range coupling constants are examined and extended with state-of-the-art pulse sequence building-blocks: The use of a HMBC with corresponding reference-HSQC for accurate coupling determination is combined with the constant time technique and the conversion of antiphase magnetization into ZQ/DQ-coherences; CPMG-based LR-CAHSQC and BIRD(r,X)-HSQMBC experiments are examined in detail with respect to their coherence transfer properties; finally, the HSQC-TOCSY-IPAP experiment is introduced, a sequence derived from previously published alpha and beta selective HSQC-TOCSYs using a different spin state selection technique and a recently developed ZQ-suppression method. The experiments are characterized with their advantages and disadvantages and compared using strychnine and menthol as standard molecules.

Publication types

  • Comparative Study
  • Evaluation Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms*
  • Carbon / chemistry*
  • Computer Simulation
  • Hydrogen / chemistry*
  • Models, Chemical*
  • Models, Molecular*
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Reproducibility of Results
  • Research*
  • Sensitivity and Specificity

Substances

  • Carbon
  • Hydrogen