Application of random coherence order selection in gradient-enhanced multidimensional NMR
Publication Date
2016Journal Title
Journal of Physics: Conference Series
ISSN
1742-6588
Publisher
IOP Publishing
Volume
699
Number
012004
Language
English
Type
Conference Object
This Version
VoR
Metadata
Show full item recordCitation
Bostock, M., & Nietlispach, D. (2016). Application of random coherence order selection in gradient-enhanced multidimensional NMR. Journal of Physics: Conference Series, 699 (012004) https://doi.org/10.1088/1742-6596/699/1/012004
Abstract
Development of multidimensional NMR is essential to many applications, for example in high resolution structural studies of biomolecules. Multidimensional techniques enable separation of NMR signals over several dimensions, improving signal resolution, whilst also allowing identification of new connectivities. However, these advantages come at a significant cost. The Fourier transform theorem requires acquisition of a grid of regularly spaced points to satisfy the Nyquist criterion, while frequency discrimination and acquisition of a pure phase spectrum require acquisition of both quadrature components for each time point in every indirect (non-acquisition) dimension, adding a factor of 2$^{N−1}$ to the number of free-induction decays which must be acquired, where $N$ is the number of dimensions. Compressed sensing (CS) ℓ$_{1}$-norm minimisation in combination with non-uniform sampling (NUS) has been shown to be extremely successful in overcoming the Nyquist criterion. Previously, maximum entropy reconstruction has also been used to overcome the limitation of frequency discrimination, processing data acquired with only one quadrature component at a given time interval, known as random phase detection (RPD), allowing a factor of two reduction in the number of points for each indirect dimension (Maciejewski et al. 2011 $\small \textit{PNAS}$ 108 16640). However, whilst this approach can be easily applied in situations where the quadrature components are acquired as amplitude modulated data, the same principle is not easily extended to phase modulated (P-/N-type) experiments where data is acquired in the form exp ($\textit{iωt}$) or exp (−$\textit{iωt}$), and which make up many of the multidimensional experiments used in modern NMR. Here we demonstrate a modification of the CS ℓ$_1$-norm approach to allow random coherence order selection (RCS) for phase modulated experiments; we generalise the nomenclature for RCS and RPD as random quadrature detection (RQD). With this method, the power of RQD can be extended to the full suite of experiments available to modern NMR spectroscopy, allowing resolution enhancements for all indirect dimensions; alone or in combination with NUS, RQD can be used to improve experimental resolution, or shorten experiment times, of considerable benefit to the challenging applications undertaken by modern NMR.
Sponsorship
Biotechnology and Biological Sciences Research Council (BB/K01983X/1)
MRC (MR/L014254/1)
Embargo Lift Date
2100-01-01
Identifiers
External DOI: https://doi.org/10.1088/1742-6596/699/1/012004
This record's URL: https://www.repository.cam.ac.uk/handle/1810/260214
Rights
Attribution 4.0 International, Attribution 4.0 International, Attribution 4.0 International
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