ArticleMetabolomics : Official journal of the Metabolomic Society2023
Extended automated quantification algorithm (AQuA) for targeted
Article in Metabolomics : Official journal of the Metabolomic Society, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- NMR-Based Quantification of Collagen Content in Protein Hydrolysates.Journal of agricultural and food chemistry · 2026Article
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6 authors.
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Abstract
introductionThe Automated Quantification Algorithm (AQuA) is a rapid and efficient method for targeted NMR-based metabolomics, currently optimised for blood plasma. AQuA quantifies metabolites from 1D-
objectivesTo develop a fast and computationally efficient extension of AQuA for quantification of selected metabolites in highly complex samples, with minimal prior sample preparation. In particular, the method should be capable of handling interferences caused by broad background signals.
methodsAn automatic baseline correction function was combined with AQuA into an automated workflow, the extended AQuA, for quantification of metabolites in plant root exudate NMR spectra that contained broad background signals and baseline distortions. The approach was evaluated using simulations as well as a spike-in experiment in which known metabolite amounts were added to a complex sample matrix.
resultsThe extended AQuA enables accurate quantification of metabolites in 1D-
conclusionsThe extended AQuA is an automated quantification method intended for 1D-
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