Removal of t(1) noise from metabolomic 2D H-1-C-13 HSQC NMR spectra by Correlated Trace Denoising

Simon Marcus Poulding; Adrian J Charlton; James Donarski; Julie Wilson

doi:10.1016/j.jmr.2007.09.004

Removal of t(1) noise from metabolomic 2D H-1-C-13 HSQC NMR spectra by Correlated Trace Denoising

Simon Marcus Poulding, Adrian J Charlton, James Donarski, Julie Wilson

Research output: Contribution to journal › Article › peer-review

Abstract

The presence of t(1) noise artefacts in 2D phase-cycled Heteronuclear Single Quantum Coherence (HSQC) spectra constrains the use of this experiment despite its superior sensitivity. This paper proposes a new processing algorithm, working in the frequency-domain, for reducing t(1) noise. The algorithm has been developed for use in contexts, such as metabolomic studies, where existing denoising techniques cannot always be applied. Two test cases are presented that show the algorithm to be effective in improving the SNR of peaks embedded within t(1) noise by a factor of more than 2, while retaining the intensity and shape of genuine peaks. Crown copyright (c) 2007 Published by Elsevier Inc. All rights reserved.

Original language	English
Pages (from-to)	190-199
Number of pages	10
Journal	Journal of Magnetic Resonance
Volume	189
Issue number	2
DOIs	https://doi.org/10.1016/j.jmr.2007.09.004
Publication status	Published - Dec 2007

Keywords

2D NMR spectroscopy
HSQC
t(1) noise
trace correlation
metabolomics
NUCLEAR-MAGNETIC-RESONANCE
TWO-DIMENSIONAL NMR
REFERENCE DECONVOLUTION
COMPLEX-MIXTURES
T1 NOISE
SPECTROSCOPY
METABONOMICS
H-1-NMR

Access to Document

10.1016/j.jmr.2007.09.004

http://www.sciencedirect.com/science/article/pii/S1090780707002704

Cite this

@article{d93339f91d2c44bd990ca076d5990897,

title = "Removal of t(1) noise from metabolomic 2D H-1-C-13 HSQC NMR spectra by Correlated Trace Denoising",

abstract = "The presence of t(1) noise artefacts in 2D phase-cycled Heteronuclear Single Quantum Coherence (HSQC) spectra constrains the use of this experiment despite its superior sensitivity. This paper proposes a new processing algorithm, working in the frequency-domain, for reducing t(1) noise. The algorithm has been developed for use in contexts, such as metabolomic studies, where existing denoising techniques cannot always be applied. Two test cases are presented that show the algorithm to be effective in improving the SNR of peaks embedded within t(1) noise by a factor of more than 2, while retaining the intensity and shape of genuine peaks. Crown copyright (c) 2007 Published by Elsevier Inc. All rights reserved.",

keywords = "2D NMR spectroscopy, HSQC, t(1) noise, trace correlation, metabolomics, NUCLEAR-MAGNETIC-RESONANCE, TWO-DIMENSIONAL NMR, REFERENCE DECONVOLUTION, COMPLEX-MIXTURES, T1 NOISE, SPECTROSCOPY, METABONOMICS, H-1-NMR",

author = "Poulding, {Simon Marcus} and Charlton, {Adrian J} and James Donarski and Julie Wilson",

year = "2007",

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doi = "10.1016/j.jmr.2007.09.004",

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AU - Poulding, Simon Marcus

AU - Charlton, Adrian J

AU - Donarski, James

AU - Wilson, Julie

PY - 2007/12

Y1 - 2007/12

N2 - The presence of t(1) noise artefacts in 2D phase-cycled Heteronuclear Single Quantum Coherence (HSQC) spectra constrains the use of this experiment despite its superior sensitivity. This paper proposes a new processing algorithm, working in the frequency-domain, for reducing t(1) noise. The algorithm has been developed for use in contexts, such as metabolomic studies, where existing denoising techniques cannot always be applied. Two test cases are presented that show the algorithm to be effective in improving the SNR of peaks embedded within t(1) noise by a factor of more than 2, while retaining the intensity and shape of genuine peaks. Crown copyright (c) 2007 Published by Elsevier Inc. All rights reserved.

AB - The presence of t(1) noise artefacts in 2D phase-cycled Heteronuclear Single Quantum Coherence (HSQC) spectra constrains the use of this experiment despite its superior sensitivity. This paper proposes a new processing algorithm, working in the frequency-domain, for reducing t(1) noise. The algorithm has been developed for use in contexts, such as metabolomic studies, where existing denoising techniques cannot always be applied. Two test cases are presented that show the algorithm to be effective in improving the SNR of peaks embedded within t(1) noise by a factor of more than 2, while retaining the intensity and shape of genuine peaks. Crown copyright (c) 2007 Published by Elsevier Inc. All rights reserved.

KW - 2D NMR spectroscopy

KW - HSQC

KW - t(1) noise

KW - trace correlation

KW - metabolomics

KW - NUCLEAR-MAGNETIC-RESONANCE

KW - TWO-DIMENSIONAL NMR

KW - REFERENCE DECONVOLUTION

KW - COMPLEX-MIXTURES

KW - T1 NOISE

KW - SPECTROSCOPY

KW - METABONOMICS

KW - H-1-NMR

U2 - 10.1016/j.jmr.2007.09.004

DO - 10.1016/j.jmr.2007.09.004

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