Andrew W. Nicholls

TL;DR: This article proposes the minimum reporting standards related to the chemical analysis aspects of metabolomics experiments including: sample preparation, experimental analysis, quality control, metabolite identification, and data pre-processing.

TL;DR: The experimental workflow for long-term and large-scale metabolomic studies involving thousands of human samples with data acquired for multiple analytical batches over many months and years is described.

TL;DR: Alanine levels were observed in all tissues indicative of a general inhibition of alanine transaminase activity and NMR spectral profiles of treated rats appeared similar to those of matched controls for all tissue types indicative of recovery from toxic insult.

TL;DR: The importance of experimental design, the separation of the biological study into multiple analytical experiments and the incorporation of QC samples to provide the ability to perform signal correction in order to reduce analytical variation and to quantitatively determine analytical precision is described.

TL;DR: Chemometric analysis of the control urine spectra indicated that HW rat urine contained relatively higher concentrations of lactate, acetate, and taurine and lower concentrations of hippurate than SD rat urine, which will enable on-line toxicological assessment of biofluids and will provide a tool for probing the mechanistic basis of organ toxicity.