Abstract
The goal of untargeted metabolomics is to profile metabolism by measuring as many metabolites as possible. A major advantage of the untargeted approach is the detection of unexpected or unknown metabolites. These metabolites have chemical structures, metabolic pathways, or cellular functions that have not been previously described. Hence, they represent exciting opportunities to advance our understanding of biology. This beneficial approach, however, also adds considerable complexity to the analysis of metabolomics data - an individual signal cannot be readily identified as a unique metabolite. As such, a major challenge faced by the untargeted metabolomic workflow is extracting the analyte content from a dataset. Successful applications of metabolomics bypass this limitation by throwing away the 99% of the dataset that is not statistically altered between sample groups.1 This widely accepted approach to untargeted metabolomics is functional for a very narrow set of applications, but critically, it fails to provide a comprehensive view of metabolism.
Committee Chair
Gary J. Patti
Committee Members
Jacob Schaefer, Michael L. Gross, Steven L. Johnson, Tim Schedl,
Degree
Doctor of Philosophy (PhD)
Author's Department
Chemistry
Document Type
Dissertation
Date of Award
Spring 5-15-2017
Language
English (en)
DOI
https://doi.org/10.7936/K7K072QD
Author's ORCID
https://orcid.org/0000-0002-0469-9934
Recommended Citation
Mahieu, Nathaniel Guy, "Mapping Analyte-Signal Relations in LC-MS Based Untargeted Metabolomics" (2017). Arts & Sciences Theses and Dissertations. 1129.
The definitive version is available at https://doi.org/10.7936/K7K072QD
Comments
Permanent URL: https://doi.org/10.7936/K7K072QD