Improving resolution in single-scan 2D spectroscopy

Pelupessy, Philippe; Duma, Luminita; Bodenhausen, Geoffrey

doi:10.1016/j.jmr.2008.06.023

Cited by 55 publications

(47 citation statements)

References 26 publications

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“…This routine included conventional zero-filling and apodization features, including apodization in the ultrafast dimension (LB = -50 Hz and GM = 0.5) designed to optimize line shapes and sensitivity in the spatially-encoded dimension, 25 and also a Sine apodization function in the conventional dimension (LB = -8 Hz and GM = 0.08). Spectra were processed in magnitude mode.…”

Section: Ultrafast 2d Nmr Parametersmentioning

confidence: 99%

“…Many studies have been performed to improve the performances of this promising technique, in terms of sensitivity, 23 resolution, 24,25 lineshape, 26 and accessible spectral width. 26,27 Following these improvements, UF-NMR has been applied successfully in a broad range of domains, including the study of mechanistic, 28 kinetic 29 or dynamic 30 processes, the coupling with ex-situ Dynamic Nuclear Polarisation 31 or the application to quantitative analysis.…”

Section: Introductionmentioning

confidence: 99%

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Optimization and practical implementation of ultrafast 2D NMR experiments

Júnior¹,

Ferreira²,

Giraudeau³

2013

Quím. Nova

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Recebido em 30/4/12; aceito em 17/10/12; publicado na web em 8/3/13 Ultrafast 2D NMR is a powerful methodology that allows recording of a 2D NMR spectrum in a fraction of second. However, due to the numerous non-conventional parameters involved in this methodology its implementation is no trivial task. Here, an optimized experimental protocol is carefully described to ensure efficient implementation of ultrafast NMR. The ultrafast spectra resulting from this implementation are presented based on the example of two widely used 2D NMR experiments, COSY and HSQC, obtained in 0.2 s and 41 s, respectively.

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Section: Ultrafast 2d Nmr Parametersmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Optimization and practical implementation of ultrafast 2D NMR experiments

Júnior¹,

Ferreira²,

Giraudeau³

2013

Quím. Nova

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“…Therefore, Pelupessy et al proposed to place a band-selective refocusing pulse flanked by a bipolar gradient pair (BPP-BSRP) before the mixing period to fold signals lying out of the observable range. [21] Besides, Shrot et al have proposed a spatial/spectral encoding approach. [20] However, the selective-pulse-related disadvantages, such as precise calibrations and sensitivity losses as a result of pulse imperfections, may restrain their applications.…”

Section: Introductionmentioning

confidence: 99%

Reverse detection for spectral width improvements in spatially encoded dimensions of ultrafast two-dimensional NMR spectra

et al. 2014

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Recently, the spatially encoded technique has been broadly used in the fast analyses of chemical systems and real-time detections of chemical reactions. In spatially encoded ultrafast 2D spectra, spectral widths and resolution in spatially encoded dimensions are contradictive, leading to the risk of insufficient spectral widths when providing satisfactory resolution values for all resonances. Here, a method named as reverse detection is proposed to improve the spectral width in the spatially encoded dimension. Experimental results show that spectral width improvements are at least twofold with reverse detection solely, and more improvements can be expected along with the gradient-controlled folding method. The proposed method can be applied to almost any spatially encoded scheme with echo planar spectroscopic imaging--like detection module and may promote wide applications of ultrafast 2D spectroscopy techniques in chemical analyses.

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“…[26] Fortunately, several recent improvements have contributed to increase significantly the performances of ultrafast experiments, such as the introduction of a multi-echo excitation scheme to deal with sensitivity losses caused by molecular diffusion, [18,27] or the implementation of various strategies to overcome spectral width limitations. [21,23,28,29] However, even when the acquisition of ultrafast spectra is carried out under optimized conditions such as those described in the literature, the appearance and the sensitivity of 2D spectra are often not satisfactory compared with what one could expect from this promising methodology. To illustrate this assumption, Fig.…”

Section: Introductionmentioning

confidence: 99%

Sensitivity and lineshape improvement in ultrafast 2D NMR by optimized apodization in the spatially encoded dimension

Giraudeau

Akoka

2011

Magnetic Reson in Chemistry

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Ultrafast 2D NMR allows the acquisition of a 2D spectrum in a single scan. However, even when the acquisition of ultrafast spectra is carried out under optimized conditions, the appearance and the sensitivity of 2D spectra are often not satisfactory compared with what one could expect from this promising methodology. This is due to limitations in terms of sensitivity, spectral width and resolution, and also to non-ideal lineshapes characterized by asymmetric sinc wiggles. Here, we identify the origin of these distortions by means of numerical simulations compared with experimental data. We then propose a processing approach to improve lineshapes while increasing the sensitivity of ultrafast experiments. The method consists in multiplying the Fourier transform of ultrafast echoes by an optimized apodization function. The principles of the method are described, and a variety of window functions are tested to determine optimum processing conditions. The approach is finally applied to ultrafast 2D spectra, leading to symmetric lineshapes with a sensitivity increased by a factor of 2.

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Improving resolution in single-scan 2D spectroscopy

Cited by 55 publications

References 26 publications

Optimization and practical implementation of ultrafast 2D NMR experiments

Optimization and practical implementation of ultrafast 2D NMR experiments

Reverse detection for spectral width improvements in spatially encoded dimensions of ultrafast two-dimensional NMR spectra

Sensitivity and lineshape improvement in ultrafast 2D NMR by optimized apodization in the spatially encoded dimension

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