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Related Concept Videos

Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...

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Concentration of Metabolites from Low-density Planktonic Communities for Environmental Metabolomics using Nuclear Magnetic Resonance Spectroscopy
11:47

Concentration of Metabolites from Low-density Planktonic Communities for Environmental Metabolomics using Nuclear Magnetic Resonance Spectroscopy

Published on: April 7, 2012

International NMR-based environmental metabolomics intercomparison exercise.

Mark R Viant1, Daniel W Bearden, Jacob G Bundy

  • 1School of Biosciences, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK. M.Viant@bham.ac.uk

Environmental Science & Technology
|February 13, 2009
PubMed
Summary

Nuclear Magnetic Resonance (NMR)-based metabolomics shows good data comparability between laboratories for environmental monitoring. This technique can identify key metabolic biomarkers in fish liver, supporting its use in regulatory environmental risk assessment.

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Area of Science:

  • Environmental Science
  • Analytical Chemistry
  • Biochemistry

Background:

  • Nuclear Magnetic Resonance (NMR)-based metabolomics and metabonomics require standardization for environmental monitoring and chemical risk assessment.
  • An intercomparison exercise was conducted to evaluate the effectiveness of 1H NMR metabolomics for generating comparable data from environmental samples.

Purpose of the Study:

  • To assess the comparability of 1H NMR metabolomics data generated by multiple laboratories for environmental samples.
  • To evaluate laboratory practices in sample preparation, data collection, processing, and analysis for NMR metabolomics.

Main Methods:

  • Seven laboratories analyzed synthetic metabolite mixtures and European flounder liver extracts using 1H NMR metabolomics.
  • Standardized protocols were followed for sample preparation, NMR data collection (500, 600, 800 MHz), data processing, and multivariate analysis (Principal Components Analysis - PCA).

Main Results:

  • Good overall comparability of data sets was achieved across participating laboratories.
  • Principal Components Analysis (PCA) of individual data sets showed highly similar scores plots for both synthetic mixtures and liver extracts.
  • All laboratories identified the same metabolic biomarkers distinguishing fish from clean and contaminated sites.

Conclusions:

  • NMR-based metabolomics demonstrates sufficient inter-laboratory data comparability for regulatory environmental studies.
  • The findings support the continued evaluation of NMR metabolomics for environmental monitoring and chemical risk assessment.