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The emergence of proton nuclear magnetic resonance metabolomics in the cardiovascular arena as viewed from a clinical perspective.

Rankin NJ, Preiss D, Welsh P, Burgess KE, Nelson SM, Lawlor DA, Sattar N - Atherosclerosis (2014)

Bottom Line: There are two main metabolomics methods: mass spectrometry (MS) and proton nuclear magnetic resonance ((1)H NMR) spectroscopy, each with its respective benefits and limitations.MS has greater sensitivity and so can detect many more metabolites.However, its cost (especially when heavy labelled internal standards are required for absolute quantitation) and quality control is sub-optimal for large cohorts. (1)H NMR is less sensitive but sample preparation is generally faster and analysis times shorter, resulting in markedly lower analysis costs. (1)H NMR is robust, reproducible and can provide absolute quantitation of many metabolites.

View Article: PubMed Central - PubMed

Affiliation: BHF Glasgow Cardiovascular Research Centre, University of Glasgow, Glasgow, G12 8TA, UK; Glasgow Polyomics, Joseph Black Building, University of Glasgow, Glasgow, G12 8QQ, UK. Electronic address: Naomi.Rankin@glasgow.ac.uk.

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Typical 1H NMR spectra of serum analysed with two different pulse programs. Nuclear Overhauser Effect Spectroscopy (NOESY in blue) experiment used for Lipoprotein quantification and Carr–Purcell–Meiboom–Gill (CPMG in red) experiment used to quantify low molecular weight metabolites. Insert shows the aromatic region of the CPMG spectrum. Spectra were analysed and interpreted using the Finnish method (35, 42). The broad resonances arising from methy and methylene groups of lipoprotein lipids depend on the composition and size of the lipoprotein and can be deconvoluted to quantify lipoprotein subfractions. Key: TSP; 3-(trimethylsilyl)-2,2’,3,3’-tetradeuteropropionic acid; N-acetyl 1H from glycans on Gp; glycoprotein (mostly α-1-acid glycoprotein); Leu: leucine; Ile: isoleucine; Val: valine; Thr: threonine; 3-OHB: 3-hydroxybutyrate; Ala; alanine; Arg: arginine; Lys: lysine; AcO; acetate; Pro: proline; Gln: glutamine: Glu: glutamate; AcAc: acetoacetate; Cre: creatinine; His: histidine; Phe: phenylalanine; Tyr: tyrosine. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)
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fig2: Typical 1H NMR spectra of serum analysed with two different pulse programs. Nuclear Overhauser Effect Spectroscopy (NOESY in blue) experiment used for Lipoprotein quantification and Carr–Purcell–Meiboom–Gill (CPMG in red) experiment used to quantify low molecular weight metabolites. Insert shows the aromatic region of the CPMG spectrum. Spectra were analysed and interpreted using the Finnish method (35, 42). The broad resonances arising from methy and methylene groups of lipoprotein lipids depend on the composition and size of the lipoprotein and can be deconvoluted to quantify lipoprotein subfractions. Key: TSP; 3-(trimethylsilyl)-2,2’,3,3’-tetradeuteropropionic acid; N-acetyl 1H from glycans on Gp; glycoprotein (mostly α-1-acid glycoprotein); Leu: leucine; Ile: isoleucine; Val: valine; Thr: threonine; 3-OHB: 3-hydroxybutyrate; Ala; alanine; Arg: arginine; Lys: lysine; AcO; acetate; Pro: proline; Gln: glutamine: Glu: glutamate; AcAc: acetoacetate; Cre: creatinine; His: histidine; Phe: phenylalanine; Tyr: tyrosine. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)

Mentions: The data are represented as a spectrum of peaks with chemical shift (δ), in parts per million (ppm), along the x-axis and intensity along the y-axis. The chemical shift is the resonant frequency of the nucleus compared to the nucleus of an internal standard (IS), normally tetramethylsilane (TMS) or a related compound. The distance (in ppm) between the resonant frequency observed and the TMS signal depends on the chemical environment of the proton, i.e. the molecular structure. Different protons in different parts of the molecule have a different chemical shift and molecules give a specific pattern of peaks, in terms of both the chemical shift and the intensities of those peaks (Fig. 2). Quantitative 1H NMR (qNMR) is also achieved by comparison to the intensity of this reference peak (normally added to the sample at a known concentration), after taking into account the number of protons contributing to each peak.


The emergence of proton nuclear magnetic resonance metabolomics in the cardiovascular arena as viewed from a clinical perspective.

Rankin NJ, Preiss D, Welsh P, Burgess KE, Nelson SM, Lawlor DA, Sattar N - Atherosclerosis (2014)

Typical 1H NMR spectra of serum analysed with two different pulse programs. Nuclear Overhauser Effect Spectroscopy (NOESY in blue) experiment used for Lipoprotein quantification and Carr–Purcell–Meiboom–Gill (CPMG in red) experiment used to quantify low molecular weight metabolites. Insert shows the aromatic region of the CPMG spectrum. Spectra were analysed and interpreted using the Finnish method (35, 42). The broad resonances arising from methy and methylene groups of lipoprotein lipids depend on the composition and size of the lipoprotein and can be deconvoluted to quantify lipoprotein subfractions. Key: TSP; 3-(trimethylsilyl)-2,2’,3,3’-tetradeuteropropionic acid; N-acetyl 1H from glycans on Gp; glycoprotein (mostly α-1-acid glycoprotein); Leu: leucine; Ile: isoleucine; Val: valine; Thr: threonine; 3-OHB: 3-hydroxybutyrate; Ala; alanine; Arg: arginine; Lys: lysine; AcO; acetate; Pro: proline; Gln: glutamine: Glu: glutamate; AcAc: acetoacetate; Cre: creatinine; His: histidine; Phe: phenylalanine; Tyr: tyrosine. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)
© Copyright Policy
Related In: Results  -  Collection

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getmorefigures.php?uid=PMC4232363&req=5

fig2: Typical 1H NMR spectra of serum analysed with two different pulse programs. Nuclear Overhauser Effect Spectroscopy (NOESY in blue) experiment used for Lipoprotein quantification and Carr–Purcell–Meiboom–Gill (CPMG in red) experiment used to quantify low molecular weight metabolites. Insert shows the aromatic region of the CPMG spectrum. Spectra were analysed and interpreted using the Finnish method (35, 42). The broad resonances arising from methy and methylene groups of lipoprotein lipids depend on the composition and size of the lipoprotein and can be deconvoluted to quantify lipoprotein subfractions. Key: TSP; 3-(trimethylsilyl)-2,2’,3,3’-tetradeuteropropionic acid; N-acetyl 1H from glycans on Gp; glycoprotein (mostly α-1-acid glycoprotein); Leu: leucine; Ile: isoleucine; Val: valine; Thr: threonine; 3-OHB: 3-hydroxybutyrate; Ala; alanine; Arg: arginine; Lys: lysine; AcO; acetate; Pro: proline; Gln: glutamine: Glu: glutamate; AcAc: acetoacetate; Cre: creatinine; His: histidine; Phe: phenylalanine; Tyr: tyrosine. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)
Mentions: The data are represented as a spectrum of peaks with chemical shift (δ), in parts per million (ppm), along the x-axis and intensity along the y-axis. The chemical shift is the resonant frequency of the nucleus compared to the nucleus of an internal standard (IS), normally tetramethylsilane (TMS) or a related compound. The distance (in ppm) between the resonant frequency observed and the TMS signal depends on the chemical environment of the proton, i.e. the molecular structure. Different protons in different parts of the molecule have a different chemical shift and molecules give a specific pattern of peaks, in terms of both the chemical shift and the intensities of those peaks (Fig. 2). Quantitative 1H NMR (qNMR) is also achieved by comparison to the intensity of this reference peak (normally added to the sample at a known concentration), after taking into account the number of protons contributing to each peak.

Bottom Line: There are two main metabolomics methods: mass spectrometry (MS) and proton nuclear magnetic resonance ((1)H NMR) spectroscopy, each with its respective benefits and limitations.MS has greater sensitivity and so can detect many more metabolites.However, its cost (especially when heavy labelled internal standards are required for absolute quantitation) and quality control is sub-optimal for large cohorts. (1)H NMR is less sensitive but sample preparation is generally faster and analysis times shorter, resulting in markedly lower analysis costs. (1)H NMR is robust, reproducible and can provide absolute quantitation of many metabolites.

View Article: PubMed Central - PubMed

Affiliation: BHF Glasgow Cardiovascular Research Centre, University of Glasgow, Glasgow, G12 8TA, UK; Glasgow Polyomics, Joseph Black Building, University of Glasgow, Glasgow, G12 8QQ, UK. Electronic address: Naomi.Rankin@glasgow.ac.uk.

Show MeSH
Related in: MedlinePlus