Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 16 of 16 for “"Metabolite Identification"”.
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Metabolite identification using infrared ion spectroscopy
Contains fulltext : 286937.pdf (Publisher’s version ) (Open Access)
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Computational Analysis of LC-MS/MS Data for Metabolite Identification
… aims at the detection and quantitation of metabolites within a biological system. As the most direct representation of phenotypic changes, metabolomics is an important component in system biology research. Recent development on high-resolution, high-accuracy mass spectrometers enables the …
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Advance metabolite identification from tandem mass spectra using deep generative models
… (MS/MS) is a modern technique for measuring metabolites. MS/MS spectra represent molecules by the fragment patterns of compounds that contain structural features of the precursor molecules. The database-searching strategy is the most popular for metabolite identification among its peers. It …
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Improving Mass Spectrometry-Based Metabolite Identification and Quantification and Application to Cardiovascular Disease
… the full spectrum of the metabolome, with identification of metabolites aided by existing spectral libraries. In contrast to many successful applications of targeted metabolomics to CVD, early applications of non-targeted profiling have resulted in several pitfalls due to lack of rigor in …
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Increased confidence of metabolite identification in high-resolution mass spectra using prior biological and chemical knowledge-based approaches
… aims to study endogenous, low molecular weight metabolites and can be used to examine a variety of biological systems. To substantially increase the accuracy of metabolite identification and increase coverage of the metabolome detected by high-resolution (HR) mass spectrometry I developed, …
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Improvement of Gastroparesis Management By Addressing Challenges in Drug Metabolism: Studies with Metabolite Identification, Reaction Phenotyping and In Vitro Drug-Drug Interactions
… is not available. Lack of knowledge about the metabolites formed in the body upon administration of the aforementioned medications as well as the enzymes involved in their metabolism limits key information needed to make sound medical decisions. Accurate and comprehensive identification of the …
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Optimised spectral processing and lineshape analysis in 2-dimensional J-resolved NMR spectroscopy based metabolomics
… with many overlapping signals. This makes metabolite identification and quantification challenging. 1H J-resolved (JRES) experiments spreads this high signal density into a second dimension, simplifying the spectral analysis. This thesis analyses the approaches and suitability of JRES …
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Mass Spectrometric Studies on Lignin Sequencing and Fast Pyrolysis, Functional-Group Selective Ion-Molecule Reactions and Reactivity of Bi- and Triradicals
… reaction has great potential for unknown drug metabolite identification
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A study on the application of independent component analysis to \(in vivo\) \(^1\)H magnetic resonance spectra of childhood brain tumours for data processing
… has the potential of automatically determining metabolite, macromolecular and lipid (MMLip) components that make up magnetic resonance (MR) spectra. However, the realiability with which this is accomplished and the optimal ICA approach for investigating in vivo MR spectra, have not yet been …
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Revealing disease-associated pathways and components by systematic integration of large-scale biological data
… analysis of untargeted metabolomic data. Metabolites are small molecules whose levels directly show cellular phenotypes. Despite their potential, the integrative analysis of metabolomic data has been limited because of challenges in metabolite identification. To address these challenges, …
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Synthesis, physicochemical and biological evaluation of N-dealkylated metabolites of antimalarial pyrido[1,2-a]benzimidazoles and related compounds containing a Mannich base side-chain
… diseases, including malaria. Based on previous metabolite identification studies in liver microsomes, a new series of pyrido[1,2-a]benzimidazole (PBI) metabolites containing Mannich base side-chains were designed and synthesized. Their in vitro parasite (Plasmodium falciparum) growth and …
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Characterization and quantification of urinary metabolic biomarkers for early response to anti-tuberculosis treatment
… to metabolomics-based biomarker discovery is metabolite identification, as approximately 50% of detectable products do not match structures in existing databases. In concordance with this, several of the potential small molecule biomarkers of anti-TB treatment response lacked structural …
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Metabolomic modelling and applications in inflammatory bowel diseases
… is an indispensable research tool for the identification and tracking of biomarkers in biological systems. In a typical metabolomics study, complex extracts or body fluids are analysed and compared by various methods to generate metabolic fingerprints. Crohn's Disease (CD) and ulcerative …
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The application of metabolomics in human health and disease
… remains one of the rapidly growing tools for the identification of new disease diagnostic biomarkers. Mass spectrometry (MS) coupled to a liquid chromatographic (LC) system and nuclear magnetic resonance (NMR) are the two major analytical plaforms currently employed in metabolomic profiling …
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Characterisation and Screening of secondary metabolites from Commiphora viminea (Burtt Davy, Burseraceae) Engl. for antifungal properties against Candida auris
… ethyl acetate), supported by LC–MS analysis for metabolite identification. The aim was to provide scientific validation for the traditional use of this species and its suitability for natural product research. Qualitative phytochemical screening revealed the presence of diverse classes of …
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Antimalarial benzimidazoles and related structures incorporating an intramolecular hydrogen bonding motif: medicinal chemistry and mechanistic studies
… to in vivo efficacy studies. Meanwhile, metabolite identification studies provided insight into the metabolic hotspots, which can be addressed in future optimization campaigns to address this liability. On the other hand, the imidazopyridine analogues were designed using the …