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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 34 for “"Solid-State NMR spectroscopy"”.
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Characterization of semiconductor nanocrystals using advanced solid-state NMR spectroscopy
… such as microscopy (SEM, TEM, AFM, etc.), spectroscopy (IR, Absorbance, XPS, etc.), and powder XRD; and surface chemistry of semiconductor nanomaterials remains largely unexplained. In this dissertation, insights into the surface and the overall structure of semiconductor nanomaterials were …
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$^{17}$O Solid-State NMR Spectroscopy of Functional Oxides for Energy Conversion
… of this thesis is the development of $^{17}$O solid-state nuclear magnetic resonance (NMR) spectroscopic techniques to study the local structure and ion dynamics of functional oxide materials for applications in energy conversion, in particular as electrodes and electrolytes in solid oxide fuel …
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Solid-state NMR spectroscopy applied to model membranes: effects of polyunsaturated fatty acids
… (1:1:1 mol) in a model membrane was examined by solid state 2H NMR spectroscopy. Solid state 2H NMR spectroscopy extracts details of molecular orientation and anisotropy of molecular reorientation by analysis of the lineshape. This essentially non-invasive technique allows for a direct …
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Methods for Increasing Sensitivity and Throughput of Solid-State NMR Spectroscopy of Pharmaceutical Solids
Solid-state nuclear magnetic resonance (SSNMR) spectroscopy has been demonstrated to be a powerful technique for investigating solid dosage formulations. SSNMR has the ability to determine physical form, molecular structure, and dynamics of a pure or formulated active pharmaceutical ingredient …
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Examining Molecular Interactions of Proteins by Isotopic Labeling, Sample Formulation and Solid-State NMR Spectroscopy
Advances in magic-angle spinning solid-state NMR (SSNMR) methods have led to several structural and functional studies of proteins. These methods can be extended to determine precise mechanistic details and molecular interactions of membrane or microcrystalline protein formulations. In this work, …
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Molecular Elucidation of Reaction Mechanisms in Aluminum & Lithium Metal Batteries by Solid-State NMR Spectroscopy and Electrochemical Methods
… via a combination of nuclear magnetic resonance (NMR) spectroscopy and electrochemical methods. NMR spectroscopy is a singularly powerful tool that enables nuclide-specific, atomic-scale characterization of local environments, dynamics, and interactions between nuclei. In aluminum-organic …
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Ein- und zweidimensionale Hadamard-Kernresonanz-Spektroskopie
… field of stochastic nuclear magnetic resonance (NMR). Based on an optimized implementation of the stochastic technique, it was possible to extend the detectable bandwidth to a maximum value of 300.000 - 400.000 Hz, so that a series of new potential applications in solid state NMR spectroscopy …
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Structure and dynamics studies by solid-state nuclear magnetic resonance spectroscopy
… this work is the development of high resolution solid state 205T1 NMR techniques and their application to the elucidation of the mechanism and dynamics of ion exchange in biological solids. The thesis starts with a review of recent progress in solid state NMR spectroscopy. The importance of …
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Dynamic nuclear polarization and electron spin resonance in paramagnetic solids at high field
Recent advances in high resolution solid state nuclear magnetic resonance spectroscopy have permitted the detailed structural study of large biological systems. The feasibility of many of these experiments is limited by the inherently low sensitivity of solid state NMR, and the implementation of …
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Solid-state NMR studies of α-synuclein fibril structure
… 3D structure of α-syn fibrils determined through solid- state NMR spectroscopy experiments validated with X-ray fiber diffraction and electron microscopy mass per-length measurements. The fibril form presented here is shown to be pathologically active in neuronal cell culture. Further, the …
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Applications of Solid State Nuclear Magnetic Resonance Spectroscopy as a Tool for Structure Based Drug Design
… and herbicidal activity. I have used solid state NMR spectroscopy as a tool to obtain structural information on the binding of inhibitors like bisphosphonates and phosphonosulfonates to their enzyme targets. Since bisphosphonates have been used primarily as osteoporosis drugs, I have …
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DRIVING NOVEL REACTIVITY BY DECODING THE ELECTRONIC STRUCTURE OF NONTRIGONAL PHOSPHORUS TRIAMIDES
… the impact of geometric distortion. First, ³¹P solid-state NMR spectroscopy is utilized to probe the frontier electronic structure of nontrigonal phosphorus triamides in comparison to trigonal analogues. This provides the first known analysis of the pairwise frontier orbitals that govern …
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Systematic conformational search with constraint satisfaction
… of the formyl-Met-Leu-Phe-OH (fMLF)peptide by solid-state NMR spectroscopy, and a separate project to determine the structure of a protein-DNA complex by X-ray crystallography. The purpose of the systematic search method is to enumerate all conformations of a molecule (at a given level of …
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Molecular level characterisation of apolipoprotein A-I aggregation leading to fibrils comprising of both α-helical and β-sheet structures
… material more characteristic of amyloid. Solid-state NMR spectroscopy reveals for the first time that all three aggregation inducing conditions produce aggregates that give rise to cross-peaks corresponding to both α-helical and novel β-sheet structures. This leads to a refinement in the …
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Synthesis and Characterization of Highly Functional Substituted Stilbene Copolymers and Semi-crystalline Poly(aryl ether sulfone)s
… maleic anhydride. Dynamic light scattering, 2H solid state NMR and persistence length measurement reveal high chain rigidity of the polymer backbone. Double quantum heteronuclear local field solid state NMR spectroscopy (2Q-HLF Solid State NMR) has been employed to investigate the chain …
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Inorganic-Organic Sol-Gel Derived Hybrid Materials as Abrasion Resistant Coatings
… (3-APS) primer. FT-IR, GPC, 1H and 13C NMR, XPS experiments were conducted to support this mechanism. The f-DETA/TMOS system is essentially a binary system of an alkyltriethoxysilane (T) and a tetraalkoxysilane (Q). At pH 0-2 and pH 4-5, the relative condensation reactivities of the T …
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Identification of esters in carious dentine Staining and chemo-mechanical excavation
… derivative using Fourier Transform Infrared Spectroscopy (FTIR) and Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS). The second and third studies focused on the possible formation of covalent bonds between carious dentine and 15N2-hydrazine, 15N2-labelled Lucifer yellow, and stains …
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Octacalcium Phosphate - Metabolite Composites: model compounds for bone mineral structure
… 2 introduces the theoretical foundations of solid-state NMR spectroscopy, which is the primary analytical method employed in this study, followed by specific experimental techniques that have been used in this work. Chapter 3 described the characterisation of seven different OCP-metabolite …
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Elucidating Structure and Dynamics of Extracellular Matrix Collagen Using Solid-State NMR
In recent years, solid-state Nuclear Magnetic Resonance (NMR) has emerged as an established spectroscopic method to afford detailed structural information on native cellular and extracellular components at atomic-scale resolution. Fibrillar collagens are the most common component of the …
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