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Full-Text Articles in Analytical Chemistry
Mapping Analyte-Signal Relations In Lc-Ms Based Untargeted Metabolomics, Nathaniel Guy Mahieu
Mapping Analyte-Signal Relations In Lc-Ms Based Untargeted Metabolomics, Nathaniel Guy Mahieu
Arts & Sciences Electronic Theses and Dissertations
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 …
Metabolomic Profiling Of Chiari Malformation Type I: Comparison Of Bioinformatic Programs For Untargeted Analysis, Hunter W. Korsmo
Metabolomic Profiling Of Chiari Malformation Type I: Comparison Of Bioinformatic Programs For Untargeted Analysis, Hunter W. Korsmo
Williams Honors College, Honors Research Projects
Chiari Malformation Type I is a neurodegenerative trait that can result from disease or from acquiring. Metabolomic analysis was done on normal pressure hydrocephalous and Chiari CSF samples using LC-MS and multiple bioinformatic programs. After analysis from multiple programs, we were able to analyze the stringency in statistical algorithms done by each program and determined qualities that are shared between programs that offer multiple details. We identified dysregulation in glucuronated metabolites in CSF of Chiari versus NPH. Using LC-MS, we established the experimental MS/MS of glucuronic acid in attempt to identify similarities in mass-to-charge features primarily identified. We could not …