NMR Spectroscopy for Metabolomics Research

Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the three principal analytical techniques used in metabolomics (the other two being gas chromatography coupled to mass spectrometry (GC-MS) and liquid chromatography coupled with single-stage mass spectrometry (LC-MS))...

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Published inMetabolites Vol. 9; no. 7; p. 123
Main Authors Emwas, Abdul-Hamid, Roy, Raja, McKay, Ryan T., Tenori, Leonardo, Saccenti, Edoardo, Gowda, G. A. Nagana, Raftery, Daniel, Alahmari, Fatimah, Jaremko, Lukasz, Jaremko, Mariusz, Wishart, David S.
Format Journal Article
LanguageEnglish
Published Switzerland MDPI AG 27.06.2019
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Abstract Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the three principal analytical techniques used in metabolomics (the other two being gas chromatography coupled to mass spectrometry (GC-MS) and liquid chromatography coupled with single-stage mass spectrometry (LC-MS)). The relative ease of sample preparation, the ability to quantify metabolite levels, the high level of experimental reproducibility, and the inherently nondestructive nature of NMR spectroscopy have made it the preferred platform for long-term or large-scale clinical metabolomic studies. These advantages, however, are often outweighed by the fact that most other analytical techniques, including both LC-MS and GC-MS, are inherently more sensitive than NMR, with lower limits of detection typically being 10 to 100 times better. This review is intended to introduce readers to the field of NMR-based metabolomics and to highlight both the advantages and disadvantages of NMR spectroscopy for metabolomic studies. It will also explore some of the unique strengths of NMR-based metabolomics, particularly with regard to isotope selection/detection, mixture deconvolution via 2D spectroscopy, automation, and the ability to noninvasively analyze native tissue specimens. Finally, this review will highlight a number of emerging NMR techniques and technologies that are being used to strengthen its utility and overcome its inherent limitations in metabolomic applications.
AbstractList Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the three principal analytical techniques used in metabolomics (the other two being gas chromatography coupled to mass spectrometry (GC-MS) and liquid chromatography coupled with single-stage mass spectrometry (LC-MS)). The relative ease of sample preparation, the ability to quantify metabolite levels, the high level of experimental reproducibility, and the inherently nondestructive nature of NMR spectroscopy have made it the preferred platform for long-term or large-scale clinical metabolomic studies. These advantages, however, are often outweighed by the fact that most other analytical techniques, including both LC-MS and GC-MS, are inherently more sensitive than NMR, with lower limits of detection typically being 10 to 100 times better. This review is intended to introduce readers to the field of NMR-based metabolomics and to highlight both the advantages and disadvantages of NMR spectroscopy for metabolomic studies. It will also explore some of the unique strengths of NMR-based metabolomics, particularly with regard to isotope selection/detection, mixture deconvolution via 2D spectroscopy, automation, and the ability to noninvasively analyze native tissue specimens. Finally, this review will highlight a number of emerging NMR techniques and technologies that are being used to strengthen its utility and overcome its inherent limitations in metabolomic applications.
Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the three principal analytical techniques used in metabolomics (the other two being gas chromatography coupled to mass spectrometry (GC-MS) and liquid chromatography coupled with single-stage mass spectrometry (LC-MS)). The relative ease of sample preparation, the ability to quantify metabolite levels, the high level of experimental reproducibility, and the inherently nondestructive nature of NMR spectroscopy have made it the preferred platform for long-term or large-scale clinical metabolomic studies. These advantages, however, are often outweighed by the fact that most other analytical techniques, including both LC-MS and GC-MS, are inherently more sensitive than NMR, with lower limits of detection typically being 10 to 100 times better. This review is intended to introduce readers to the field of NMR-based metabolomics and to highlight both the advantages and disadvantages of NMR spectroscopy for metabolomic studies. It will also explore some of the unique strengths of NMR-based metabolomics, particularly with regard to isotope selection/detection, mixture deconvolution via 2D spectroscopy, automation, and the ability to noninvasively analyze native tissue specimens. Finally, this review will highlight a number of emerging NMR techniques and technologies that are being used to strengthen its utility and overcome its inherent limitations in metabolomic applications.Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the three principal analytical techniques used in metabolomics (the other two being gas chromatography coupled to mass spectrometry (GC-MS) and liquid chromatography coupled with single-stage mass spectrometry (LC-MS)). The relative ease of sample preparation, the ability to quantify metabolite levels, the high level of experimental reproducibility, and the inherently nondestructive nature of NMR spectroscopy have made it the preferred platform for long-term or large-scale clinical metabolomic studies. These advantages, however, are often outweighed by the fact that most other analytical techniques, including both LC-MS and GC-MS, are inherently more sensitive than NMR, with lower limits of detection typically being 10 to 100 times better. This review is intended to introduce readers to the field of NMR-based metabolomics and to highlight both the advantages and disadvantages of NMR spectroscopy for metabolomic studies. It will also explore some of the unique strengths of NMR-based metabolomics, particularly with regard to isotope selection/detection, mixture deconvolution via 2D spectroscopy, automation, and the ability to noninvasively analyze native tissue specimens. Finally, this review will highlight a number of emerging NMR techniques and technologies that are being used to strengthen its utility and overcome its inherent limitations in metabolomic applications.
Author Wishart, David S.
Emwas, Abdul-Hamid
McKay, Ryan T.
Jaremko, Lukasz
Tenori, Leonardo
Gowda, G. A. Nagana
Roy, Raja
Raftery, Daniel
Alahmari, Fatimah
Jaremko, Mariusz
Saccenti, Edoardo
AuthorAffiliation 2 Centre of Biomedical Research, Formerly, Centre of Biomedical Magnetic Resonance, Sanjay Gandhi Post-Graduate Institute of Medical Sciences Campus, Uttar Pradesh 226014, India
4 Department of Experimental and Clinical Medicine, University of Florence, Largo Brambilla 3, 50134 Florence, Italy
7 Fred Hutchinson Cancer Research Center, 1100 Fairview Avenue, Seattle, WA 98109, USA
1 Core Labs, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia
6 Northwest Metabolomics Research Center, Department of Anesthesiology and Pain Medicine, University of Washington, 850 Republican St., Seattle, WA 98109, USA
5 Laboratory of Systems and Synthetic Biology Wageningen University & Research, Stippeneng 4, 6708 WE Wageningen, The Netherlands
3 Department of Chemistry, University of Alberta, Edmonton, AB T6G 2W2, Canada
9 Division of Biological and Environmental Sciences and Engineering (BESE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-690
AuthorAffiliation_xml – name: 4 Department of Experimental and Clinical Medicine, University of Florence, Largo Brambilla 3, 50134 Florence, Italy
– name: 9 Division of Biological and Environmental Sciences and Engineering (BESE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia
– name: 10 Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E8, Canada
– name: 5 Laboratory of Systems and Synthetic Biology Wageningen University & Research, Stippeneng 4, 6708 WE Wageningen, The Netherlands
– name: 6 Northwest Metabolomics Research Center, Department of Anesthesiology and Pain Medicine, University of Washington, 850 Republican St., Seattle, WA 98109, USA
– name: 2 Centre of Biomedical Research, Formerly, Centre of Biomedical Magnetic Resonance, Sanjay Gandhi Post-Graduate Institute of Medical Sciences Campus, Uttar Pradesh 226014, India
– name: 1 Core Labs, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia
– name: 3 Department of Chemistry, University of Alberta, Edmonton, AB T6G 2W2, Canada
– name: 8 Department of NanoMedicine Research, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman bin Faisal University, Dammam 31441, Saudi Arabia
– name: 7 Fred Hutchinson Cancer Research Center, 1100 Fairview Avenue, Seattle, WA 98109, USA
Author_xml – sequence: 1
  givenname: Abdul-Hamid
  orcidid: 0000-0002-9231-3850
  surname: Emwas
  fullname: Emwas, Abdul-Hamid
– sequence: 2
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  orcidid: 0000-0003-0048-0772
  surname: Roy
  fullname: Roy, Raja
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  givenname: Ryan T.
  orcidid: 0000-0002-0255-159X
  surname: McKay
  fullname: McKay, Ryan T.
– sequence: 4
  givenname: Leonardo
  orcidid: 0000-0001-6438-059X
  surname: Tenori
  fullname: Tenori, Leonardo
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  orcidid: 0000-0001-8284-4829
  surname: Saccenti
  fullname: Saccenti, Edoardo
– sequence: 6
  givenname: G. A. Nagana
  orcidid: 0000-0002-0544-7464
  surname: Gowda
  fullname: Gowda, G. A. Nagana
– sequence: 7
  givenname: Daniel
  orcidid: 0000-0003-2467-8118
  surname: Raftery
  fullname: Raftery, Daniel
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  givenname: Fatimah
  surname: Alahmari
  fullname: Alahmari, Fatimah
– sequence: 9
  givenname: Lukasz
  surname: Jaremko
  fullname: Jaremko, Lukasz
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  givenname: Mariusz
  surname: Jaremko
  fullname: Jaremko, Mariusz
– sequence: 11
  givenname: David S.
  orcidid: 0000-0002-3207-2434
  surname: Wishart
  fullname: Wishart, David S.
BackLink https://www.ncbi.nlm.nih.gov/pubmed/31252628$$D View this record in MEDLINE/PubMed
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Snippet Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the three principal analytical techniques used in metabolomics (the other two...
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SubjectTerms analytical platform
Automation
Chromatography
Gas chromatography
GC-MS
LC-MS
Liquid chromatography
Magnetic resonance spectroscopy
Mass spectrometry
Mass spectroscopy
Metabolism
Metabolites
Metabolomics
NMR
Nuclear magnetic resonance
resolution
Review
Scientific imaging
sensitivity
Software
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Title NMR Spectroscopy for Metabolomics Research
URI https://www.ncbi.nlm.nih.gov/pubmed/31252628
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