Author : Paul Daniel Hutchins
Publisher :
ISBN 13 :
Total Pages : 200 pages
Book Rating : 4.:/5 (123 download)
Book Synopsis Computational Strategies for the Generation and Analysis of Mass Spectrometry-based Lipidomics Data by : Paul Daniel Hutchins
Download or read book Computational Strategies for the Generation and Analysis of Mass Spectrometry-based Lipidomics Data written by Paul Daniel Hutchins and published by . This book was released on 2019 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation describes advances in the analysis of mass spectrometry-based lipid measurements and their use to ascribe function to uncharacterized proteins. Despite their biochemical significance, lipids' structural complexity and diversity render their comprehensive characterization challenging. Chapter 1 outlines the use of mass spectrometry (MS) for lipid analysis, the unique analytical challenges created by lipid's combinatorial composition, and the data analysis steps required for robust lipid identification. Chapter 2 describes an open-source software suite which automates lipid identification using lipid-optimized algorithms - significantly reducing hands-on processing time for large lipidomic datasets. Chapter 3 discusses an algorithm to extract lipid fragmentation rules directly from experimental tandem mass spectra (MS/MS) and generate accurate in silico spectral libraries with minimal manual annotation. Although these two software tools significantly streamline lipid data processing, the quality and quantity of lipid identifications depend heavily on MS acquisition parameters optimized for the specific sample. A computational strategy for simulation of MS lipid data acquisition across different method parameters was developed to accelerate this time-consuming process and is outlined in Chapter 4. In Chapter 5, the described lipid data analysis tools are utilized as part of a multi-omic analysis of 106 CRISPR gene-deletion strains for the functional classification of uncharacterized mitochondrial proteins. Finally, Chapter 6 discusses potential solutions to the inherent challenges of lipidomics analysis and its potential as a vital systems biology tool.