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Showing 1 to 20 of 39 for “"hydrogen deuterium exchange"”.
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Mechanism and Application of a Heterogeneous Catalytic Hydrogen-deuterium Exchange Reaction for Polyolefins
The mechanism of a heterogeneous catalytic H/D exchange reaction with polyolefins is investigated in this thesis. The model polymers used in this study were hydrogenated polybutadienes (hPBDs), and a metallocene linear low density polyethylene (LLDPE). When mixed at 170 ºC with isooctane, …
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Application of hydrogen deuterium exchange mass spectrometry in protein-ligand and protein-protein interactions
… to the rapid growth of MS based techniques. Hydrogen-deuterium exchange mass spectrometry (HDX-MS), a combination of HPLC and MS, has become a common and sensitive tool to probe protein structural flexibility and solution dynamics. In this dissertation, HDX-MS was applied to study dynamic …
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Characterizing Conformational Dynamics and Catalytic Activity of Enzymes by Hydrogen-Deuterium Exchange Mass Spectrometry
… in gram-negative bacteria, and yeast alcohol dehydrogenase (YADH), responsible for facilitating the hydride transfer to NAD+ for energy production in prokaryotes. In the catalysis of both antibiotics and NAD+ reduction the specific residues involved in each binding mode remain under debate. By …
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A 59-Cobalt NMR Investigation of the Hydrogen/Deuterium Exchange Kinetics in Cobalt(III) Complexes
Currently, the hydrogen/deuterium exchange kinetics in cobalt(III) complexes are being investigated. In the presence of deuterated solvents, (e.g. D2 0 and CH3CH20D) the amine hydrogens in the complexes are exchanged for deuteriums. For the hexaamminecobalt(III) ion, 19 isotopmers (H18D0 to HOD 18) …
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Advancing the characterization of glycan dynamics with in-electrospray ionization hydrogen/deuterium exchange-mass spectrometry.
… because it provides structural information. Hydrogen/deuterium exchange (HDX-MS) is a labeling technique that monitors the exchanging labile hydrogen atoms for molecules across different timepoints. Traditionally, HDX-MS has been used to study protein structure and dynamics; however, this …
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Study of the Dynamics of Retaining GT-B Fold Glycosyltransferases Using Hydrogen Deuterium Exchange Mass Spectrometry
… Toelucidate substrate-induced local dynamics, hydrogen-deuterium exchange mass spectrometry(HDX-MS) is used to analyze CgMshA from Corynebacterium glutamicum, a model enzymefrom GT-B fold. In the presence of acceptor substrate inositol-1-phosphate (I1P), decreaseddynamics occur in CgMshA's …
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Hydrogen-deuterium exchange studies by mass spectrometry: A method for obtaining conformational structures of proteins in solution
Hydrogen-deuterium exchange (HDX) coupled with electrospray ionization (ESI) in mass spectrometry (MS) has become an important method in the study of protein structure and dynamics. It provides an opportunity for obtaining conformational structures of protein motions in physiological conditions and …
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Investigations of biological interactions by hydrogen deuterium exchange Fourier transform ion cyclotron mass spectrometry: novel methods, automated analysis and data reduction
Hydrogen/deuterium (H/D) exchange is used to investigate biological interactions by Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS). For the first time, a series of oligonucleotides of varying length are interrogated by negative mode gas phase H/D exchange. Data presented …
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Part I: The Mechanism of Hydrogen - Deuterium Exchange of 1-Methyl-4-Pyrimidone and Related Compounds. Part 2: Synthetic Approachesto a Model Compound Suitable for Field Effect Studies
Made available in DSpace on 2014-12-10T23:00:57Z (GMT). No. of bitstreams: 1 7105271.pdf: 7463349 bytes, checksum: 8d6c4bf8aadbaf17db102602ad61f8c7 (MD5) Previous issue date: 1970
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An Interdisciplinary Investigation of Conformational Changes in Quasi-Crystalline Protein Array R-bodies in Response to pH
… microscopy, atomic force microscopy, and hydrogen deuterium exchange to study individual, purified R-bodies in vitro. We show that R-body extension and contraction are highly cooperative and hysteretic processes with changes in the magnitude and direction of ribbon curvature as well as …
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Computational Studies of Selected Ruthenium Catalysis Reactions.
… on ruthenium-carbon bond strengths, carbon-hydrogen bond activation by 1,2-addition/reductive elimination pathways appropriate to catalytic hydrogen/deuterium exchange, and the possible intermediacy of highly coordinatively unsaturated (e.g., 14-electron) ruthenium complexes in catalysis. …
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Design and synthesis of components for optically active metal-organic frameworks (MOFs) and synthetic routes to diverse deuterium labelled α-diazoacetates, α-diazoacetamides, α-diazoketones, and the antibiotic azaserine
… to be ideal candidates for the introduction of deuterium. This area of research is presented in the second part of this PhD thesis. The synthesis of an array of α-diazocarbonyl acetic acid esters and α-diazoketones and their utilisation in a hydrogen / deuterium exchange reaction are described. …
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From Solution Into the Gas Phase: Studying Protein Hydrogen Exchange and Electrospray Ionization Using Molecular Dynamics Simulation
… first examine microscopic phenomena underlying Hydrogen/Deuterium exchange (HDX). HDX interrogates structural dynamics of proteins by measuring the rate of Deuterium uptake into backbone amides. We perform microsecond MD simulations on ubiquitin to investigate this process. We find that HDX …
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Acing nucleic acids and chemistry : exogenous RNA/DNA acetylation and modeling universal data formats.
… determine the rate of the amide proton-solvent exchange rate of acetylated nucleic acids. Amide hydrogen/deuterium exchange has been studied on proteins for decades but has not been studied on RNA and DNA due to the relatively low abundance of naturally occurring acetylated nucleic acids. In …
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Biophysical Investigation into the Protein Dynamics Governing the Allosteric Regulation of Plant and Animal 15-Lipoxygenases
… (SLO), has been characterized using hydrogen-deuterium exchange mass spectrometry (HDX-MS), revealing that the addition of the allosteric effector, oleyl sulfate (OS), alters a specific region of the enzyme. Herein, we used a combination of thermodynamic and biophysical techniques …
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Efficient sampling of protein conformational dynamics and prediction of mutation effects.
… ways to reconcile simulated ensembles with Hydrogen/Deuterium exchange (HDX) protection measurements, by constructing multi-ensemble Markov State Models (MEMMs) from biased MD simulations, and reconciling these predictions against the experimental data using the BICePs (Bayesian Inference of …
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Conformational Analysis of Disordered Proteins Using H/D Exchange Mass Spectrometry
… has become apparent. The application of hydrogen/deuterium exchange mass spectrometry (H/D-MS) to study IDPs is presented in this dissertation. Results that demonstrate improvements to the H/D-MS method are also presented. A thermoelectrically cooled refrigeration system was developed in …
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Investigation of artificial malonyl group carriers and multifunctional cyclic scaffolds towards the mimicry of PKS
… determination of observed rate constants from hydrogen-deuterium exchange experiments of malonates. The results obtained from kinetic experiments allowed us to select the more suitable artificial malonyl carriers in decarboxylative aldol-type condensations. In the second part of the thesis, the …
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Nuclear magnetic resonance studies of simple molecules on metal surfaces
… temperature species (CCH$\sb3$) and also the hydrogen-deuterium exchange in this CCH$\sb3$ species. We found an activation energy of 15.2 $\pm$ 2.0 kcal/mole and preexponential factor of 10$\sp{7{\pm}1.7}$ sec$\sp{-1}$ for the conversion reaction and an activation energy of 14.3 $\pm$ 2.5 …
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Structure And Function Of The FMO Protein From The Photosynthetic Green Sulfur Bacteria
… and the baseplate: CsmA) protein was studied by hydrogen/deuterium exchange coupled with MS. The identified binding region first confirms the FMO orientation on the membrane; secondly this region is located at one of the two structurally different regions on the Cab-FMO protein, and the highly …
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