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Updated: Jul 3, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
Correlating sideband patterns with powder patterns for accurate determination of chemical shift parameters in
M S Ironside1, D G Reid, M J Duer
1University Chemical Laboratories, Lensfield Road, Cambridge, CB2 1EW, UK.
Abstract:
Powder patterns and sideband patterns have different strengths when it comes to using them to determine chemical shift parameters. Here, we show that chemical shift parameters can be determined with high accuracy by analysing the correlation pattern from a 2D experiment which correlates a powder pattern in the indirect dimension with a sideband pattern in the direct dimension. The chemical shift parameters so determined have greater accuracy than those obtained by analysing a sideband or powder pattern alone, for the same signal-to-noise ratio. This method can be applied for both resolved correlation patterns and to cases where two components share similar isotropic chemical shifts. The methodology is demonstrated in this paper, both theoretically and experimentally, on the (31)P signals of the bis-phosphonate drug, pamidronate.
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