DATA ANALYSIS WORKFLOW FOR GAS CHROMATOGRAPHY MASS SPECTROMETRY-BASED METABOLOMICS STUDIES
1 online resource (119 pages) : PDF
University of North Carolina at Charlotte
Metabolomics has emerged as an integral part of systems biology research that attempts to comprehensively study low molecular weight organic and inorganic metabolites under certain conditions within a biological system. Technological advances in the past decade have made it possible to carry out metabolomics studies in a high-throughput fashion using gas chromatography coupled with mass spectrometry. As a result, large volumes of data are produced from these studies and there is a pressing need for algorithms that can efficiently process and analyze the data in a high-throughput fashion as well. To address this need, we have developed computational algorithms and the associated software tool named an Automated Data Analysis Pipeline (ADAP). ADAP allows data to flow seamlessly through the data processing steps that include de-nosing, peak detection, deconvolution, alignment, compound identification and quantitation. The development of ADAP started in 2009 and the past four years have witnessed continuous improvements in its performance from ADAP-GC 1.0, to ADAP-GC 2.0, and to the current ADAP-GC 3.0. As part of the performance assessment of ADAP-GC, we have compared it with three other software tools. In this dissertation, I will present the computational details about these three versions of ADAP-GC, the capabilities of the software tool, and the results from software comparison.
COMPOUND IDENTIFICATION AND QUANTITATIONDATA PROCESSINGDECONVOLUTIONGAS CHROMATOGRAPHYMASS SPECTROMETRYMETABOLOMICS
Fodor, AnthonyCooper, BrianGibas, CynthiaMukherjee, Pinku
Thesis (Ph.D.)--University of North Carolina at Charlotte, 2014.
This Item is protected by copyright and/or related rights. You are free to use this Item in any way that is permitted by the copyright and related rights legislation that applies to your use. For other uses you need to obtain permission from the rights-holder(s). For additional information, see http://rightsstatements.org/page/InC/1.0/.
Copyright is held by the author unless otherwise indicated.