Imperial College London
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DrElenaChekmeneva

Faculty of Medicine, Department of Metabolism, Digestion and Reproduction

Research Associate - Structural Elucidation
 
 
 
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e.chekmeneva

 
 
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Location

 

Institute of Reproductive and Developmental BiologyHammersmith Campus

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Summary

 

Publications

Citation

BibTex format

@article{Takis:2020:10.1039/D0SC01421D,
author = {Takis, P and Jimenez, B and Sands, C and Chekmeneva, E and Lewis, M},
doi = {10.1039/D0SC01421D},
journal = {Chemical Science},
pages = {6000--6011},
title = {SMolESY: An efficient and quantitative alternative to on-instrument macromolecular ¹H-NMR signal suppression},
url = {http://dx.doi.org/10.1039/D0SC01421D},
volume = {11},
year = {2020}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - One-dimensional (1D) proton-nuclear magnetic resonance (1H-NMR) spectroscopy is an established technique for measuring small molecules in a wide variety of complex biological sample types. It is demonstrably reproducible, easily automatable and consequently ideal for routine and large-scale application. However, samples containing proteins, lipids, polysaccharides and other macromolecules produce broad signals which overlap and convolute those from small molecules. NMR experiment types designed to suppress macromolecular signals during acquisition may be additionally performed, however these approaches add to the overall sample analysis time and cost, especially for large cohort studies, and fail to produce reliably quantitative data. Here, we propose an alternative way of computationally eliminating macromolecular signals, employing the mathematical differentiation of standard 1H-NMR spectra, producing small molecule-enhanced spectra with preserved quantitative capability and increased resolution. Our approach, presented in its simplest form, was implemented in a cheminformatic toolbox and successfully applied to more than 3000 samples of various biological matrices rich or potentially rich with macromolecules, offering an efficient alternative to on-instrument experimentation, facilitating NMR use in routine and large-scale applications.
AU  - Takis,P
AU  - Jimenez,B
AU  - Sands,C
AU  - Chekmeneva,E
AU  - Lewis,M
DO  - 10.1039/D0SC01421D
EP  - 6011
PY  - 2020///
SN  - 2041-6520
SP  - 6000
TI  - SMolESY: An efficient and quantitative alternative to on-instrument macromolecular ¹H-NMR signal suppression
T2  - Chemical Science
UR  - http://dx.doi.org/10.1039/D0SC01421D
UR  - https://pubs.rsc.org/en/content/articlelanding/2020/SC/D0SC01421D#!divAbstract
UR  - http://hdl.handle.net/10044/1/80725
VL  - 11
ER  -
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