An alternative scheme for the multiplexed acquisition of 1D and 2D NMR spectra

Plainchont, Bertrand; Martinez, Agathe; Tisse, Séverine; Bouillon, Jean‐Philippe; Wieruszeski, Jean‐Michel; Lippens, Guy; Jeannerat, Damien

doi:10.1016/j.jmr.2010.06.005

Cited by 12 publications

(8 citation statements)

References 17 publications

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“…S2) with full assignment of 1 H resonances. The best alternative selective strategy in terms of signal-tonoise ratio is Hadamard spectroscopy [36] which is based on the multiplexed recording of selective experiments [37][38][39][40]. After the demonstration of the use of interleaved SPSP encoding for 1 H-1 H correlation experiments, it was exemplified in a heteronuclear UF HSQC experiment with a mixture of metabolites.…”

Section: Resultsmentioning

confidence: 99%

Interleaved spatial/spectral encoding in ultrafast 2D NMR spectroscopy

Plainchont

Giraudeau

Dumez

2019

Journal of Magnetic Resonance

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The possibility to record a full 2D spectrum in less than a second using ultrafast 2D NMR (UF2DNMR) is beneficial in many applications. However, the spatial encoding process on which UF2DNMR is based sets specific constraints on the spectral width and resolution of the resulting spectra. To overcome these limitations, a tailored encoding method using spatial/spectral pulses (SPSP) can be employed as an alternative to the traditional linear spatial encoding of interactions. Here we analyze and further develop this alternative spatial encoding strategy. We first carry out numerical simulations to describe the features of bidimensional SPSP pulses. Sidebands are identified along the spectral dimension of the excitation profile. An interleaved excitation scheme is then developed and implemented experimentally to suppress the unwanted signals that arise from these harmonic sidebands. Two examples are shown to illustrate the potential of the proposed approach. An ultrafast selective TOCSY spectrum is recorded to access sub-spectra and fully assign 1 H NMR resonances of individual residues of cyclosporin A. An ultrafast HSQC spectrum of a mixture of metabolites is recorded with an optimized spectral width in the spatially encoded dimension.

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Section: Resultsmentioning

confidence: 99%

Interleaved spatial/spectral encoding in ultrafast 2D NMR spectroscopy

Plainchont

Giraudeau

Dumez

2019

Journal of Magnetic Resonance

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“…In both cases, the acquisition time is AQ = N/SW (2) where N is the total number of complex data points (real plus imaginary) acquired. In order to enjoy the maximum possible resolution, the acquisition should last a time approaching T * 2 which, in the case of small molecules, is typically of the order of a second or so.…”

Section: The Nyquist Conditionmentioning

confidence: 99%

Rapid Multidimensional NMR: High Resolution by Spectral Aliasing

Jeannerat

2011

Encyclopedia of Magnetic Resonance

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Spectral aliasing consists in setting the spectral window of multidimensional NMR experiments below the full range of chemical shifts in order to increase the spectral resolution. The improvement factor can reach two orders of magnitude when applied to small molecules. The ambiguities in the observed chemical shifts can be resolved using diverse sources of complementary information discussed in the article. The advantages of spectral aliasing are very easy implementation with almost any standard pulse sequence, and reliance on the classical linear sampling of data points processed using the Fourier transform. Applications to small molecules and proteins are discussed

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“…One of the ways to increase the resolution is the reduction of spectral width, at the expense of undesired peak folding . This approach was also employed in the particular case of an asymmetrically functionalized β ‐CD that was earlier investigated by selective excitation of sufficiently separated anomeric 1 H resonances . Another possibility is to apply sophisticated processing to push through the resolution barrier of conventional FT processing of regularly sampled data.…”

Section: Introductionmentioning

confidence: 99%

Study of near‐symmetric cyclodextrins by compressed sensing 2D NMR

Misiak

Koźmiński

Chmurski

et al. 2013

Magnetic Reson in Chemistry

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The compressed sensing NMR (CS-NMR) is an approach to processing of nonuniformly sampled NMR data. Its idea is to introduce minimal l(p) -norm (0 < p ≤ 1) constraint to a penalty function used in a reconstruction algorithm. Here, we demonstrate that 2D CS-NMR spectra allow the full spectral assignment of near-symmetric β-cyclodextrin derivatives (mono-modified at the C6 position). The application of CS-NMR ensures experimental time saving and the resolution improvement, necessary because of very low chemical shift dispersion. In the overnight experimental time, the set of properly resolved 2D NMR spectra required for the unambiguous assignment of mono(6-deoxy-6-(1-1,2,3-triazo-4-yl)-1-propane-3-O-(phenyl)) β-cyclodextrin was obtained. The highly resolved HSQC spectrum was reconstructed from 5.12% of the data. Moreover, reconstructed 2D HSQC-TOCSY spectrum yielded information about the correlations within one sugar unit, and 2D HSQC-NOESY technique allowed the sequential assignment of the glucosidic units.

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An alternative scheme for the multiplexed acquisition of 1D and 2D NMR spectra

Cited by 12 publications

References 17 publications

Interleaved spatial/spectral encoding in ultrafast 2D NMR spectroscopy

Interleaved spatial/spectral encoding in ultrafast 2D NMR spectroscopy

Rapid Multidimensional NMR: High Resolution by Spectral Aliasing

Study of near‐symmetric cyclodextrins by compressed sensing 2D NMR

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