SCoT: Swept coherence transfer for quantitative heteronuclear 2D NMR

Gołowicz, Dariusz; Urbańczyk, Mateusz; Shchukina, Alexandra; Kazimierczuk, Krzysztof

doi:10.1016/j.jmr.2018.06.009

Cited by 9 publications

(9 citation statements)

References 30 publications

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“…The concept was successfully used in other reaction studies 33 − 36 and also extended to the studies in which one analyzes the dependence of the parameter on temperature 37 or INEPT transfer time. 38 The idea was also adapted for diffusion-based reaction monitoring 39 , 40 utilizing the concept of permuted DOSY (p-DOSY). 41 As for TR-NUS, TR diffusion NMR can also be exploited in the analysis of the parameter space instead of the temporal space.…”

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confidence: 99%

“…The resulting set of spectra allows for a good temporal resolution as each subset highly overlaps with previous spectra in the reaction time dimension. The concept was successfully used in other reaction studies − and also extended to the studies in which one analyzes the dependence of the parameter on temperature or INEPT transfer time . The idea was also adapted for diffusion-based reaction monitoring , utilizing the concept of permuted DOSY (p-DOSY) .…”

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confidence: 99%

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Accelerating Restricted Diffusion NMR Studies with Time-Resolved and Ultrafast Methods

et al. 2020

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Restricted diffusion of fluids in porous materials can be studied by pulsed field gradient nuclear magnetic resonance (NMR) non-invasively and without tracers. If the experiment is repeated many times with varying diffusion delays, detailed information about pore sizes and tortuosity can be recorded. However, the measurements are very time-consuming because numerous repetitions are needed for gradient ramping and varying diffusion delays. In this paper, we demonstrate two different strategies for acceleration of the restricted diffusion NMR measurements: time-resolved diffusion NMR and ultrafast Laplace NMR. The former is based on time-resolved non-uniform sampling, while the latter relies on spatial encoding of two-dimensional data. Both techniques allow similar 1–2 order of magnitude acceleration of acquisition, but they have different strengths and weaknesses, which we discuss in detail. The feasibility of the methods was proven by investigating restricted diffusion of water inside tracheid cells of thermally modified pine wood.

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Accelerating Restricted Diffusion NMR Studies with Time-Resolved and Ultrafast Methods

et al. 2020

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“…Additional to resolution and spectral information gains, the presented method also provides sensitivity benefits, similar to the previously published swept-coherence transfer (SCoT) method. 56 Namely, a dense sampling of mixing times in pseudo-3D TOCSY prevents the potential missing of crosspeaks, which often occurs in single-2D TOCSY spectra acquired with too short or too long mixing times. On the other hand, because many spectra are needed to describe the shape of the intensity build-up curve, the sensitivity of each spectrum in a series is accordingly smaller than that in a single spectrum acquired over the same time.…”

Section: Resultsmentioning

confidence: 99%

Enhanced Nuclear Magnetic Resonance Spectroscopy with Isotropic Mixing as a Pseudodimension

2022

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Chemical analysis based on liquid-state nuclear magnetic resonance spectroscopy exploits numerous observables, mainly chemical shifts, relaxation rates, and internuclear coupling constants. Regarding the latter, the efficiencies of internuclear coherence transfers may be encoded in spectral peak intensities. The dependencies of these intensities on the experimental parameter that influences the transfer, for example, mixing time, are an important source of structural information. Yet, they are costly to measure and difficult to analyze. Here, we show that peak intensity build-up curves in two-dimensional total correlation spectroscopy (2D TOCSY) experiments may be quickly measured by employing nonuniform sampling and that their analysis can be effective if supported by quantum mechanical calculations. Thus, such curves can be used to form a new, third pseudodimension of the TOCSY spectrum. Similarly to the other two frequency dimensions, this one also resolves ambiguities and provides characteristic information. We show how the approach supports the analysis of a fragment of protein Tau Repeat-4 domain. Yet, its potential applications are far broader, including the analysis of complex mixtures or other polymers.

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“…Two-dimensional NMR usually appears as a powerful analytical means of identifying unknown compounds. Two-dimensional NMR solves the overlap problem, but at the cost of biasing peak intensities [ 107 ]. This is partly due to the uneven coherence transfer between excited/detected 1 H nuclei and the heteronuclei coupled to them (typically 13 C); at the same time, 2D NMR has generally been limited to qualitative measurements due to its high sensitivity to pulse imperfections and instrumental requirements [ 108 ].…”

Section: Research Progress Of Qnmr Applied To Natural Productsmentioning

confidence: 99%

“…Coulibaly et al [ 147 ] developed a qNMR method for real-time quantification, providing convenience for the real-time monitoring of contents. Golowicz et al [ 107 ] presented a novel approach named swept coherence transfer (SCoT), which is based on the idea of time-resolved NUS acquisition in HSQC experiments; the coherence transfer delay is co-incremented with non-uniformly sampled evolution time. They performed the measurements on a mixture of 17α-ethynlestradiol and m-anisaldehyde; it was found that SCoT can solve the main problem, limiting the use of 2D NMR to quantitative chemical analysis, and can greatly reduce the disturbances of peak intensities and phases, contrary to conventional experiments.…”

Section: Research Progress Of Qnmr Applied To Natural Productsmentioning

confidence: 99%

Research Progress of NMR in Natural Product Quantification

Wang

You

et al. 2021

Molecules

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In the fields of medicine and health, traditional high-performance liquid chromatography or UV-visible spectrophotometry is generally used for substance quantification. However, over time, nuclear magnetic resonance spectroscopy (NMR) has gradually become more mature. Nuclear magnetic resonance spectroscopy has certain advantages in the quantitative analysis of substances, such as being nondestructive, having a high flux and short analysis time. Nuclear magnetic resonance spectroscopy has been included in the pharmacopoeiae of various countries. In this paper, the principle of nuclear magnetic resonance spectroscopy and the recent progress in the quantitative study of natural products by NMR are reviewed, and its application in the quantitative study of natural products is proposed. At the same time, the problems of using NMR alone to quantify natural products are summarized and corresponding suggestions are put forward.

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SCoT: Swept coherence transfer for quantitative heteronuclear 2D NMR

Cited by 9 publications

References 30 publications

Accelerating Restricted Diffusion NMR Studies with Time-Resolved and Ultrafast Methods

Accelerating Restricted Diffusion NMR Studies with Time-Resolved and Ultrafast Methods

Enhanced Nuclear Magnetic Resonance Spectroscopy with Isotropic Mixing as a Pseudodimension

Research Progress of NMR in Natural Product Quantification

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