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Topics - Dan Bearden

3
Environmental Metabolomics Interest Group / Standard reference materials (SRMs) for Metabolomics
I would like to query the community about the need for and utility of metabolomics standard materials.

NIST SRM 1950 will be hitting the street soon, but this is a single sample which may be of the most utility to the mass spectrometry community.

For true multivariate metabolomics analysis, one may need a \'set\' of samples that can be analyzed and compared to some reference values. For example, for the NMR intercomparison, we produced two sets of samples: a \'synthetic set\' with six distinct mixtures of six compounds, and a \'biological set\' with a biological tissue extract from an experiment with two discernable treatment groups. These were geared for NMR analysis for this exercise.

So questions:
1) Is there a need for a set of standardized samples produced by an independent agency?
2) What characteristics should this sample set have?
  2a) For NMR?
  2b) For LC/MS?
  2c) For GC/MS?
  2d) For other modalities? (Please identify)
3) How would you use such a set of samples?
4) What information would you need about the samples (metadata, chemical info, biological info, etc.)?
5) Have you developed a set of test samples? If so, how did you do that and how do you use it?
6) Should the sample be complex (biological materials) or simple (limited number of components or classes of components)?

Feedback would be crucial to agencies like NIST proceeding with plans along these lines.
4
Environmental Metabolomics Interest Group / eMICE_2011 Environmental Metabolomics Intercomparison Update
A second intercomparison exercise has been developed, deployed and executed.

Twelve Laboratories from around the world analyzed NIST-prepared materials using Nuclear Magnetic Resonance (NMR) Spectroscopy.

In all, 16 data sets at four different NMR magnet strengths were collected using standardized protocols.

The experimental protocol involved sample temperature calibration, 1-dimensional and 2-dimensional experiments, multivariate analysis and quantitative evaluation of metabolite concentrations.

Analysis of the results of the exercise is ongoing and should be completed by the fall of 2011.