Guidelines for the use of band-selective radiofrequency pulses in hetero-nuclear NMR: example of longitudinal-relaxation-enhanced BEST-type 1H-15N correlation experiments

J Magn Reson. 2010 Mar;203(1):190-8. doi: 10.1016/j.jmr.2009.12.001. Epub 2009 Dec 4.

Abstract

Band-selective radiofrequency (rf) pulses provide powerful spectroscopic tools for many biomolecular NMR applications. Band-selectivity is commonly achieved by pulse shaping where the rf amplitude and phase are modulated according to a numerically optimized function. This results in complex spin evolution trajectories during the pulse duration. Here we introduce simplified representations of a number of shaped pulses, commonly used in biomolecular NMR spectroscopy. These simple schemes, consisting in a suite of free evolution delays and ideal rf pulses, reproduce astonishingly well the effect on a scalar-coupled hetero-nuclear two-spin system. As a consequence, optimal use of such pulse shapes in complex multi-pulse sequences becomes straightforward, as demonstrated here for the example of longitudinal-relaxation-enhanced BEST-HSQC and BEST-TROSY experiments. Applications of these optimized pulse sequences to several proteins in the size range of 8-21 kDa are shown.

MeSH terms

  • Algorithms*
  • Electromagnetic Fields
  • Guidelines as Topic
  • Nitrogen Isotopes
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Protons
  • Software

Substances

  • Nitrogen Isotopes
  • Protons