Decoupling Two‐Dimensional NMR Spectroscopy in Both Dimensions: Pure Shift NOESY and COSY

Aguilar, J. A.; Colbourne, Adam A.; Cassani, Julia; Nilsson, Mathias; Morris, Gareth A.

doi:10.1002/anie.201108888

Cited by 98 publications

(69 citation statements)

References 22 publications

(15 reference statements)

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“…2b) along the axis of the NMR tube, distributes the effective frequency of the selective pulse along the sample volume to cover any desired chemical shift range. [6][7][8] This makes it possible to record the equivalent of the series of band-selective experiments in a single experiment. We call this sequence element 'BBHD' for 'BroadBand HomoDecoupled' and present the characteristics of BBHD-TOCSY in the second part of Table 1.…”

Section: Combination With Spatial Encoding Methodologymentioning

confidence: 99%

“…Fully decoupled directly detected spectra can in fact only be reconstructed using series of spectra or the manipulation of special 2D spectra. [5][6][7] This can ultimately result in totally decoupled 2D spectra (both in F1 and F2), but it requires long acquisition times. We preferred to focus on homonuclear decoupling in the indirect dimensions, that is, intervene during the t 1 evolution times of 2D experiments such as COSY, TOCSY, NOESY.…”

Section: Decoupling In Liquid-state Nmrmentioning

confidence: 99%

“…The BBHD sequence is based on Morris' homodecoupling scheme where the hard pulse precedes the selective one [6] while the mixing period corresponds to Keeler's ZQ-filtered TOCSY. [1] A detailed discussion of the pulse sequence is beyond the scope of this article, but the key aspects relative to the bandwidth of the selective pulse and the amplitude of the g s gradient deserve a few comments.…”

Section: Application To the Acquisition Of Series Of 2d Spectramentioning

confidence: 99%

See 2 more Smart Citations

Combination of Homonuclear Decoupling and Spectral Aliasing to Increase the Resolution in the 1H Dimension of 2D NMR Experiments

Cotte

Foroozandeh

Jeannerat

2012

Chimia

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Broadband homonuclear decoupling (BBHD) in the indirect 1 H dimension of 2D experiments can be obtained using a modified Zangger and Sterk combination of a selective pulse with a pulsed-field gradient. The coupling structure of signals is reduced to a singlet along the F1 dimension at the cost of a sensitivity loss. With the classical sampling in F1, the full resolving power of BBHD-experiments requires very long acquisition times. Spectral aliasing can reduce the number of time increments accessing the top resolution of homodecoupled spectra of small molecules by two orders of magnitude. The TOCSY spectra of androst-4-ene-3,17-dione are shown as an example.

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Section: Combination With Spatial Encoding Methodologymentioning

confidence: 99%

Section: Decoupling In Liquid-state Nmrmentioning

confidence: 99%

Section: Application To the Acquisition Of Series Of 2d Spectramentioning

confidence: 99%

See 1 more Smart Citation

Combination of Homonuclear Decoupling and Spectral Aliasing to Increase the Resolution in the 1H Dimension of 2D NMR Experiments

Cotte

Foroozandeh

Jeannerat

2012

Chimia

View full text Add to dashboard Cite

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“…As the number of mixture components increase, some degree of overlap of the signals even in the 2D experiments becomes inevitable, so that it is all natural to try to further improve their resolution by data processing, covariance analysis [18,19,20,21,22,23,24,25,26,27] or pure-shift spectroscopy [28,29,30,31,32,33,34,35] being notable examples.…”

Section: Introductionmentioning

confidence: 99%

A review of blind source separation in NMR spectroscopy

Toumi

Caldarelli

Torrésani

2014

Progress in Nuclear Magnetic Resonance Spectroscopy

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Fourier transform is the data processing naturally associated to most NMR experiments. Notable exceptions are Pulse Field Gradient and relaxation analysis, the structure of which is only partially suitable for FT. With the revamp of NMR of complex mixtures, fueled by analytical challenges such as metabolomics, alternative and more apt mathematical methods for data processing have been sought, with the aim of decomposing the NMR signal into simpler bits. Blind Source Separation is a very broad definition regrouping several classes of mathematical methods for complex signal decomposition that use no hypothesis on the form of the data. Developed outside NMR , these algorithms have been increasingly tested on spectra of mixtures. In this review, we shall provide an historical overview of the application of Blind Source Separation methodologies to NMR , including methods specifically designed for the specificity of this spectroscopy.

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“…These approaches proved that acceptable homonuclear broadband decoupled ( 1 H-{ 1 H} BB ) proton NMR data could be created and also showed great promise in the context of simplifying two-dimensional (2D) NMR data. [9][10][11] However, the need for extended data acquisition periods and specialized post-acquisition processing macros meant that this type of approach to generating H NMR data in real time using explicit data acquisition that incorporates repeated scalar coupling refocusing periods interleaved with data acquisition blocks. [12] The approach brings 1 H-{ 1 H} BB NMR data acquisition into the mainstream provided that appropriate hardware capabilities are in place.…”

Section: Introductionmentioning

confidence: 99%

HOBS methods for enhancing resolution and sensitivity in small DNA oligonucleotide NMR studies

McKenna

Parkinson

2014

Magnetic Reson in Chemistry

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(1) H NMR spectra from biopolymers give chemical shifts classified according to proton type and often suffer from signal degeneracy. Data from nucleic acids are particularly prone to this failing. Recent developments in proton broadband decoupling techniques with the promise of enhanced resolution at full sensitivity have allowed us to investigate the application of homonuclear band-selective (HOBS) decoupling to the study of small synthetic DNA molecules and to compare these with results from classical and pure shift techniques. Improved signal resolution at full sensitivity in both HOBS-1D (1) H and HOBS-2D [(1) H, (1) H] NOESY NMR data is reported for three example small DNA molecules. Comparisons of (1) H T1 and integrals of signals from HOBS-1D (1) H and HOBS-2D [(1) H, (1) H] NOESY NMR data with those of standard data collection methods are also reported. The results show that homonuclear HOBS-NOESY data are useful for data assignment purposes and have some merit for quantification purposes. In general, we show that resolution and sensitivity enhancement of (1) H NMR data for small DNA samples may be achieved without recourse to higher magnetic field strength at full sensitivity in a band-selected manner.

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Decoupling Two‐Dimensional NMR Spectroscopy in Both Dimensions: Pure Shift NOESY and COSY

Cited by 98 publications

References 22 publications

Combination of Homonuclear Decoupling and Spectral Aliasing to Increase the Resolution in the 1H Dimension of 2D NMR Experiments

Combination of Homonuclear Decoupling and Spectral Aliasing to Increase the Resolution in the 1H Dimension of 2D NMR Experiments

A review of blind source separation in NMR spectroscopy

HOBS methods for enhancing resolution and sensitivity in small DNA oligonucleotide NMR studies

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