View in EDS

International NMR-Based Environmental Metabolomics Intercomparison Exercise.

Saved in:
Bibliographic Details
Title: International NMR-Based Environmental Metabolomics Intercomparison Exercise.
Authors: VIANT, MARK R.1 M.Viant@bham.ac.uk, BEARDEN, DANIEL W.2 Dan.Bearden@nist.gov, BUNDY, JACOB C.3, BURTON, IAN W.4, COLLETTE, TIMOTHY W.5, EKMAN, DREW R.5, EZERNIEKS, VILNIS6, KARAKACH, TOBIAS K.4, CHING YU LIN7, ROCHFORT, SIMONE6, DE ROPP, JEFFREY S.8, QUINCY TENG4, TJEERDEMA, RONALD S.8, WALTER, JOHN A.4, HUIFENG WU1
Source: Environmental Science & Technology. 1/1/2009, Vol. 43 Issue 1, p219-225. 7p.
Subject Terms: *Environmental risk assessment, *Environmental monitoring, *Effect of water pollution on fishes, *Risk assessment of hazardous substances, *Biomarkers, Laboratories, European flounder, Nuclear magnetic resonance spectroscopy, Research methodology, Multivariate analysis, Principal components analysis, Tissue analysis, International cooperation
Abstract: Several fundamental requirements must be met so that NMR-based metabolomics and the related technique of metabonomics can be formally adopted into environmental monitoring and chemical risk assessment. Here we report an intercomparison exercise which has evaluated the effectiveness of ¹H NMR metabolomics to generate comparable data sets from environmentally derived samples. It focuses on laboratory practice that follows sample collection and metabolite extraction, specifically the final stages of sample preparation, NMR data collection (500, 600, and 800 MHz), data processing, and multivariate analysis. Seven laboratories have participated from the U.S.A., Canada, U.K., and Australia, generating a total of ten data sets. Phase 1 comprised the analysis of synthetic metabolite mixtures, while Phase 2 investigated European flounder (Platichthys flesus) liver extracts from clean and contaminated sites. Overall, the comparability of data sets from the participating laboratories was good. Principal components analyses (PCA) of the individual data sets yielded ten highly similar scores plots for the synthetic mixtures, with a comparable result for the liver extracts. Furthermore, the same metabolic biomarkers that discriminated fish from clean and contaminated sites were discovered by all the laboratories. PCA of the combined data sets showed excellent clustering of the multiple analyses. These results demonstrate that NMR-based metabolomics can generate data that are sufficiently comparable between laboratories to support its continued evaluation for regulatory environmental studies. [ABSTRACT FROM AUTHOR]
Copyright of Environmental Science & Technology is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: GreenFILE
FullText Text:
  Availability: 0
Header DbId: 8gh
DbLabel: GreenFILE
An: 36395102
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: International NMR-Based Environmental Metabolomics Intercomparison Exercise.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22VIANT%2C+MARK+R%2E%22">VIANT, MARK R.</searchLink><relatesTo>1</relatesTo><i> M.Viant@bham.ac.uk</i><br /><searchLink fieldCode="AR" term="%22BEARDEN%2C+DANIEL+W%2E%22">BEARDEN, DANIEL W.</searchLink><relatesTo>2</relatesTo><i> Dan.Bearden@nist.gov</i><br /><searchLink fieldCode="AR" term="%22BUNDY%2C+JACOB+C%2E%22">BUNDY, JACOB C.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22BURTON%2C+IAN+W%2E%22">BURTON, IAN W.</searchLink><relatesTo>4</relatesTo><br /><searchLink fieldCode="AR" term="%22COLLETTE%2C+TIMOTHY+W%2E%22">COLLETTE, TIMOTHY W.</searchLink><relatesTo>5</relatesTo><br /><searchLink fieldCode="AR" term="%22EKMAN%2C+DREW+R%2E%22">EKMAN, DREW R.</searchLink><relatesTo>5</relatesTo><br /><searchLink fieldCode="AR" term="%22EZERNIEKS%2C+VILNIS%22">EZERNIEKS, VILNIS</searchLink><relatesTo>6</relatesTo><br /><searchLink fieldCode="AR" term="%22KARAKACH%2C+TOBIAS+K%2E%22">KARAKACH, TOBIAS K.</searchLink><relatesTo>4</relatesTo><br /><searchLink fieldCode="AR" term="%22CHING+YU+LIN%22">CHING YU LIN</searchLink><relatesTo>7</relatesTo><br /><searchLink fieldCode="AR" term="%22ROCHFORT%2C+SIMONE%22">ROCHFORT, SIMONE</searchLink><relatesTo>6</relatesTo><br /><searchLink fieldCode="AR" term="%22DE+ROPP%2C+JEFFREY+S%2E%22">DE ROPP, JEFFREY S.</searchLink><relatesTo>8</relatesTo><br /><searchLink fieldCode="AR" term="%22QUINCY+TENG%22">QUINCY TENG</searchLink><relatesTo>4</relatesTo><br /><searchLink fieldCode="AR" term="%22TJEERDEMA%2C+RONALD+S%2E%22">TJEERDEMA, RONALD S.</searchLink><relatesTo>8</relatesTo><br /><searchLink fieldCode="AR" term="%22WALTER%2C+JOHN+A%2E%22">WALTER, JOHN A.</searchLink><relatesTo>4</relatesTo><br /><searchLink fieldCode="AR" term="%22HUIFENG+WU%22">HUIFENG WU</searchLink><relatesTo>1</relatesTo>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Environmental+Science+%26+Technology%22">Environmental Science & Technology</searchLink>. 1/1/2009, Vol. 43 Issue 1, p219-225. 7p.
– Name: Subject
  Label: Subject Terms
  Group: Su
  Data: *<searchLink fieldCode="DE" term="%22Environmental+risk+assessment%22">Environmental risk assessment</searchLink><br />*<searchLink fieldCode="DE" term="%22Environmental+monitoring%22">Environmental monitoring</searchLink><br />*<searchLink fieldCode="DE" term="%22Effect+of+water+pollution+on+fishes%22">Effect of water pollution on fishes</searchLink><br />*<searchLink fieldCode="DE" term="%22Risk+assessment+of+hazardous+substances%22">Risk assessment of hazardous substances</searchLink><br />*<searchLink fieldCode="DE" term="%22Biomarkers%22">Biomarkers</searchLink><br /><searchLink fieldCode="DE" term="%22Laboratories%22">Laboratories</searchLink><br /><searchLink fieldCode="DE" term="%22European+flounder%22">European flounder</searchLink><br /><searchLink fieldCode="DE" term="%22Nuclear+magnetic+resonance+spectroscopy%22">Nuclear magnetic resonance spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Research+methodology%22">Research methodology</searchLink><br /><searchLink fieldCode="DE" term="%22Multivariate+analysis%22">Multivariate analysis</searchLink><br /><searchLink fieldCode="DE" term="%22Principal+components+analysis%22">Principal components analysis</searchLink><br /><searchLink fieldCode="DE" term="%22Tissue+analysis%22">Tissue analysis</searchLink><br /><searchLink fieldCode="DE" term="%22International+cooperation%22">International cooperation</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Several fundamental requirements must be met so that NMR-based metabolomics and the related technique of metabonomics can be formally adopted into environmental monitoring and chemical risk assessment. Here we report an intercomparison exercise which has evaluated the effectiveness of ¹H NMR metabolomics to generate comparable data sets from environmentally derived samples. It focuses on laboratory practice that follows sample collection and metabolite extraction, specifically the final stages of sample preparation, NMR data collection (500, 600, and 800 MHz), data processing, and multivariate analysis. Seven laboratories have participated from the U.S.A., Canada, U.K., and Australia, generating a total of ten data sets. Phase 1 comprised the analysis of synthetic metabolite mixtures, while Phase 2 investigated European flounder (Platichthys flesus) liver extracts from clean and contaminated sites. Overall, the comparability of data sets from the participating laboratories was good. Principal components analyses (PCA) of the individual data sets yielded ten highly similar scores plots for the synthetic mixtures, with a comparable result for the liver extracts. Furthermore, the same metabolic biomarkers that discriminated fish from clean and contaminated sites were discovered by all the laboratories. PCA of the combined data sets showed excellent clustering of the multiple analyses. These results demonstrate that NMR-based metabolomics can generate data that are sufficiently comparable between laboratories to support its continued evaluation for regulatory environmental studies. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Environmental Science & Technology is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=8gh&AN=36395102
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1021/es802198z
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 7
        StartPage: 219
    Subjects:
      – SubjectFull: Environmental risk assessment
        Type: general
      – SubjectFull: Environmental monitoring
        Type: general
      – SubjectFull: Effect of water pollution on fishes
        Type: general
      – SubjectFull: Risk assessment of hazardous substances
        Type: general
      – SubjectFull: Biomarkers
        Type: general
      – SubjectFull: Laboratories
        Type: general
      – SubjectFull: European flounder
        Type: general
      – SubjectFull: Nuclear magnetic resonance spectroscopy
        Type: general
      – SubjectFull: Research methodology
        Type: general
      – SubjectFull: Multivariate analysis
        Type: general
      – SubjectFull: Principal components analysis
        Type: general
      – SubjectFull: Tissue analysis
        Type: general
      – SubjectFull: International cooperation
        Type: general
    Titles:
      – TitleFull: International NMR-Based Environmental Metabolomics Intercomparison Exercise.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: VIANT, MARK R.
      – PersonEntity:
          Name:
            NameFull: BEARDEN, DANIEL W.
      – PersonEntity:
          Name:
            NameFull: BUNDY, JACOB C.
      – PersonEntity:
          Name:
            NameFull: BURTON, IAN W.
      – PersonEntity:
          Name:
            NameFull: COLLETTE, TIMOTHY W.
      – PersonEntity:
          Name:
            NameFull: EKMAN, DREW R.
      – PersonEntity:
          Name:
            NameFull: EZERNIEKS, VILNIS
      – PersonEntity:
          Name:
            NameFull: KARAKACH, TOBIAS K.
      – PersonEntity:
          Name:
            NameFull: CHING YU LIN
      – PersonEntity:
          Name:
            NameFull: ROCHFORT, SIMONE
      – PersonEntity:
          Name:
            NameFull: DE ROPP, JEFFREY S.
      – PersonEntity:
          Name:
            NameFull: QUINCY TENG
      – PersonEntity:
          Name:
            NameFull: TJEERDEMA, RONALD S.
      – PersonEntity:
          Name:
            NameFull: WALTER, JOHN A.
      – PersonEntity:
          Name:
            NameFull: HUIFENG WU
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 01
              Text: 1/1/2009
              Type: published
              Y: 2009
          Identifiers:
            – Type: issn-print
              Value: 0013936X
          Numbering:
            – Type: volume
              Value: 43
            – Type: issue
              Value: 1
          Titles:
            – TitleFull: Environmental Science & Technology
              Type: main
ResultId 1