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Full-Text Articles in Analytical Chemistry

Mass Spectrometry Based Metabolomics And Lipidomics., Fang Yuan Aug 2021

Mass Spectrometry Based Metabolomics And Lipidomics., Fang Yuan

Electronic Theses and Dissertations

Metabolomics and lipidomics studies are important to understand living organisms at the molecular level. In this dissertation, I conducted various untargeted and targeted metabolomics and lipidomics studies using mass spectrometry based analytical platforms. Firstly, I investigated the androgen depletion effects on fecal metabolites in a mouse model of systemic lupus erythematosus and metabolite biomarkers for colorectal cancer using two-dimensional gas and liquid chromatography-mass spectrometry. Secondly, I investigated the relationship between gut microbiota-mediated resistance and susceptibility to malaria and the production of short-chain fatty acids using gas chromatography-mass spectrometry. Thirdly, I developed a high-throughput liquid chromatography-mass spectrometry method to profile long-chain …


Gc×Gc-Ms And Parallel 2dlc-Ms Based Untargeted Metabolomics., Md Aminul Islam Prodhan Dec 2019

Gc×Gc-Ms And Parallel 2dlc-Ms Based Untargeted Metabolomics., Md Aminul Islam Prodhan

Electronic Theses and Dissertations

Untargeted metabolomics aims to analyze as many metabolites as possible in a biological system. Due to the vast complexity of the metabolome, bioanalytical platforms have been developed for untargeted metabolomics. While comprehensive two-dimensional gas chromatography mass spectrometry (GC×GC-MS) has been used in different scientific fields, its use in untargeted metabolomics is limited due to several challenges, such as complicated data analysis and limited accuracy of metabolite identification. Two-dimensional liquid chromatography mass spectrometry (2DLC-MS) has also been employed in untargeted metabolomics, but with limited metabolite coverage. This dissertation describes the efforts in developing new data analysis algorithms to improve the accuracy …


Bayesian Analytical Approaches For Metabolomics : A Novel Method For Molecular Structure-Informed Metabolite Interaction Modeling, A Novel Diagnostic Model For Differentiating Myocardial Infarction Type, And Approaches For Compound Identification Given Mass Spectrometry Data., Patrick J. Trainor Aug 2018

Bayesian Analytical Approaches For Metabolomics : A Novel Method For Molecular Structure-Informed Metabolite Interaction Modeling, A Novel Diagnostic Model For Differentiating Myocardial Infarction Type, And Approaches For Compound Identification Given Mass Spectrometry Data., Patrick J. Trainor

Electronic Theses and Dissertations

Metabolomics, the study of small molecules in biological systems, has enjoyed great success in enabling researchers to examine disease-associated metabolic dysregulation and has been utilized for the discovery biomarkers of disease and phenotypic states. In spite of recent technological advances in the analytical platforms utilized in metabolomics and the proliferation of tools for the analysis of metabolomics data, significant challenges in metabolomics data analyses remain. In this dissertation, we present three of these challenges and Bayesian methodological solutions for each. In the first part we develop a new methodology to serve a basis for making higher order inferences in metabolomics, …


Chemoselective Reactions And Their Applications In Metabolite Isolation And Analysis., Sadakatali Shokatali Gori May 2016

Chemoselective Reactions And Their Applications In Metabolite Isolation And Analysis., Sadakatali Shokatali Gori

Electronic Theses and Dissertations

Chemoselectivity is the preferential reaction of a reagent with a select functional group among other plausible reactions. This dissertation describes chemoselective reagents and methods explored to develop more accurate, efficient and high-throughput means to quantify metabolites containing either thiol, carboxylic acid or 1,2-diol moieties directly from biological mixtures. Chapter 1 discusses how dysregulation of thiol- or carboxylic acid-containing metabolites is either the cause or effect of cellular dysfunction. Quantifying such metabolites is important in discovery of pathways to understand etiology of diseases. Chapter 1 also discusses the need for sustainable syntheses using renewable resources and describes the traditional methods for …