Targeted profiling: quantitative analysis of 1H NMR metabolomics data.

By A. Weljie, Jack Newton, P. Mercier, Erin E. Carlson, C. Slupsky. Analytical Chemistry, 2006

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Analytical Methods in Untargeted Metabolomics: State of the Art in 2015 (2015, positive): “…for this objective (Craig et al., 2006; Kohl et al., 2012), the two perhaps most commonly used methods are the use of endogenous stable metabolites (like creatinine in urine) and the use of the total spectral area [i.e., area under the curve (AUC); Weljie et al., 2006; Rasmussen et al., 2011].”
Proposed minimum reporting standards for data analysis in metabolomics (2007, methodology): “…LC this generates a peak table where each metabolite is represented by one variable Jonsson et al. (2004); Kvalheim and Liang (1992); Tauler et al. (1992); Veldhuis et al. (1987); Weljie et al. (2006) Peak-picking Peaks in an NMR or GC or LC-MS chromatogram are selected that may represent signals.”
Human Gut Microbiota from Autism Spectrum Disorder Promote Behavioral Symptoms in Mice (2019, methodology): “The one-dimensional (1D) 1 H NMR spectra of all samples were collected in accordance with standard Chenomx (Edmon-ton, Alberta, Canada) sample preparation and data collection guidelines (Weljie et al., 2006).”
Responses of the pea (Pisumsativum L.) leaf metabolome to drought stress assessed by nuclear magnetic resonance spectroscopy (2008, background): “A 3.5 s relaxation delay was found to be sufficient for the acquisition of quantitative data (Weljie et al. 2006) for all resonances.”