Characterization of Lipid A Species by Computational Analysis of Mass Spectrometry Data
| Autor: | Ying Sonia Ting, 丁瑩 |
|---|---|
| Rok vydání: | 2008 |
| Druh dokumentu: | 學位論文 ; thesis |
| Popis: | 97 Lipid A, the lipid component of lipopolysaccharide (LPS), is responsible for endotoxicity of Gram-negative microorganisms. Previous studies had shown that structural diversity of lipid A is altered as a function of host in response to environmental conditions. Structural diversity is often found in number and length of fatty-acid side chains as well as terminal modifications. Systematic characterization of lipid A biodiversity is hampered by labor intensive nature of semi-automatic tandem mass spectrometric data acquisition and manual interpretation. Toward this end, we devised a computational method termed STALA (Structural Analysis of Lipid A) to associate lipid A structures with electrospray multiple-stage mass spectra in an automated fashion. STALA is designed for speedy, first-pass interpretation of Lipid A MSn data. Based on previous knowledge, the determined ion indicators and theoretical disassociations databases are constructed. By combing the ion and neutral losses databases searching with devised scoring evaluation, lipid A structures can be predicted and assigned with high efficiency and accuracy. Structural differences within lipid A species can be distinguished even for low abundant species. Moreover, STALA has been used to successfully interpret lipid A species in Francisella novicida. In addition to the precise identification of the known species, STALA has also discovered 15 potential new structures which have not been reported previously. |
| Databáze: | Networked Digital Library of Theses & Dissertations |
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