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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 20 of 57 for “"solution NMR"”.
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Understanding Transition Metal Dissolution from Battery Materials with Solution NMR Methods
… cathode materials, many of which can undergo dissolution of the transition metal(s) into the electrolyte solution. Transition metal dissolution can lead to cathode restructuring, electrolyte degradation, thickening of the anode solid electrolyte interphase, and loss of lithium from the active …
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INVESTIGATION OF THE STRUCTURE AND FUNCTION OF GLUTAMATE RECEPTOR GLUR2 USING SOLUTION NMR SPECTROSCOPY
… We used NH RDCs to determine the average solution conformation of S1S2 bound to various ligands, including the 5-substituted willardiines. To obtain the desirable precision of lobe closure calculation, we developed a method by which the structural noise is initially reduced using structure …
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Rational Design of Chemotherapeutic Agents by Quantitative Structure-Activity Relationships and Solution NMR Methods for High Resolution Protein Structure Refinement
Second, work towards the study of solution protein structure refinement methods by high-resolution multi-dimensional nuclear magnetic resonance (NMR) spectroscopy is discussed. Uniformly 13C, 15N-labeled Saccharomyces cerevisiae iso-1 cytochrome c was overexpressed in Escherichia coli and purified …
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EXPANDING THE TOOLKIT: STRUCTURE, DYNAMICS, AND DRUG INTERACTIONS OF THE “PRIMING LOOP” FROM HEPATITIS B VIRUS PRE-GENOMIC RNA BY SOLUTION NMR SPECTROSCOPY
… of RNA chemical biology. Fortunately, solution NMR spectroscopy can probe the structure, dynamics, and interactions of RNA in solution at atomic resolution, opening the door to their functional understanding. However, NMR analysis of RNA – with only four unique ribonucleotide building …
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STRUCTURAL AND FUNCTIONAL STUDIES OF CYCLIC K48-LINKED DIUBIQUITIN
… and the dynamics of cycUb2 were characterized by solution NMR. The crystal structure of cycUb2, which is in agreement with solution NMR data, is closed with the hydrophobic patches of each Ub domain buried at the interface. Despite its structural constraints, cycUb2 was still able to interact with …
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Transient collagen triple-helix binding to membrane type 1 matrix metalloproteinase : interaction studies and NMR-guided structural docking
… underlying collagenolytic activity of MMP-14, a solution NMR approach is used here to investigate interactions between individual MMP-14 catalytic and hemopexin domain and a collagen-I-mimicking Triple-Helical Peptide (THP). In this study, backbone chemical shifts were assigned for isolated …
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Towards atomistic characterization of blood coagulation proteins by NMR spectroscopy
… be accessed using nuclear magnetic resonance (NMR) spectroscopy. Here, the nanocrystalline and membrane-bound forms of TF are investigated with solid-state NMR and compared to the previously published solution NMR sTF assignments. We have prepared several samples of the sTF with uniform …
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Structural Studies of Lipid-Bound Apolipoprotein A-I and Nanodisc-Embedded Cyp3A4 by SSNMR
… of the technical difficulties encountered by solution NMR and x-ray crystallography in solving atomic-resolution structures of these proteins. Work presented here focused on development of the Nanodisc platform for structural studies of membrane proteins using solid-state NMR (SSNMR).
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Solution and solid state NMR studies of fluorine tagging reagents
… groups is determined by utilizing a number of solution and solid-state nuclear magnetic resonance (NMR) techniques. In solution NMR studies p-fluorobenzoyl chloride was the fluorine tagging reagent of choice because of a large ¹⁹F chemical shift range for the different derivatized substrates …
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A Fragile Native State Structure: An Aryl Hydrocarbon Receptor Nuclear Translocator (ARNT) Variant Exhibits Slow Interconversion Kinetics Between two Different Folds
… can be perturbed by additional mutations. Using solution NMR spectroscopy, we solved the high resolution solution structure of a mutant ARNT PAS-B domain in the new conformation, demonstrating that it contains a three-residue slip in register and accompanying inversion of the central beta-strand. …
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Revisiting Allostery In Lac Repressor
… from partial crystal structures and low-resolution scattering studies. In principle, solution-NMR could provide structural and dynamical information unobtainable by X-ray methods. However, due to LacI’s high molecular weight, low solubility, and transient stability, such studies have been …
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Understanding the Role of N-Methylolacrylamide (Nma) Distribution in Poly(Vinyl Acetate) Latex Adhesives
… was studied via a series of variable temperature solution NMR experiments, while the durability-related performance was studied via mode I fracture mechanics tests. Studying the distribution of NMA required the use of isotopically labeled NMA. Both 15N-NMA and 13C, 15N-NMA were synthesized. Three …
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Applications of DNP and solid-state NMR for protein structure determination
… (MAS) solid state nuclear magnetic resonance (SSNMR) is a developing method for determining the structures and studying the dynamics and functions of biological molecules. This method is particularly important for systems, such as amyloidogenic fibrous proteins, that do not crystallize or …
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Investigating the C-terminal region of RalA: regulation through membrane dynamics and protein-protein interactions
… between RalA and RalB. This project uses solution NMR spectroscopy and nanodiscs as membrane mimetic tools to investigate the interaction of RalA with biological membranes at the molecular level. Clear differences were found in how RalA interacts with the membrane mimic based on the …
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Solvent-induced modifications of the morphology and solid-state properties of ibuprofen
… Comparison of the predicted morphology with solution-"grown crystals clarified the interaction of solvent with the growing crystal. Single crystal dissolution and x--ray techniques indicated that crystals grown from non--polar solvents were more strained. In conjunction with solution NMR …
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Structure determination of proteins and protein aggregates by magic-angle spinning solid-state NMR
Solid state NMR (SSNMR) is a structure determination technique uniquely suited to study protein aggregates and fibrils. Unlike solution NMR or X-ray crystallography, SSNMR can obtain atomic resolution structural information on samples of protein fibrils which are insoluble and do not produce X-ray …
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Hard and soft coatings on gold nanoparticles at the nano-bio interface
… nanoparticle systems at the molecular level with NMR techniques. Chapter 2 details the development of a solution NMR based approach, including chemical shift analysis, ligand density analysis, and T2 relaxation analysis, to explore the environment of a small molecule thiol ligand on gold …
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NMR structural and functional studies of the mithochondrial outer membrane protein VDAC by Thomas J. Malia.
… for metabolite trafficking. Here, the NMR-based investigation of VDAC and its interaction with Bcl-xL in detergent micelles is described. As an integral membrane protein VDAC presented a challenge for producing a folded form amenable to solution NMR studies. Methods developed for …
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Conformational modeling of neurokinins: Proposed bio-active conformations for different receptor subtypes
… using structure-activity data as well as solution NMR and CD data, where available. Based on the analyses it is proposed that the biologically relevant conformation for NK-1 receptor sites involves a type I beta turn involving residues Gly-Leu, a type II beta turn involving residues …
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