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.
Results
Showing 1 to 11 of 11 for “"paramagnetic NMR"”.
-
Development of first principles paramagnetic NMR methodologies to probe the complex local structural properties of Li-ion battery materials
NMR spectroscopy of paramagnetic solids provides detailed information about the local configuration and the chemical environment of the NMR observed center, as well as about the structural, magnetic and electronic properties of the coordianted paramagnetic centres. In the case of complex …
-
Part I. The Synthesis of Hyaluronan Oligosaccharides and the Mild Cleavage of 2-Amino-2-Deoxy-D-Glucoside Methoxycarbonyl Derivatives With Methytrichlorosilane. Part II. The Design and Engineering of a Manganese Binding Site in Cytochrome C Peroxidase
… Several spectroscopic techniques including paramagnetic NMR and EPR were employed to characterize the CcP mutant (MnCcP). The data is consistent with a newly formed metal site that binds a single Mn2+ near the heme periphery. Wild-type CcP exhibits none of the spectroscopic features as …
-
Myoglobin Microsperes and Metalloporphyrin -Peptide Complexes
… peptide heme complexes are completely a-helical. Paramagnetic NMR shows that the 15-mer peptides bind sequentially, with an observable mono-peptide, high-spin intermediate. In contrast, the cyclic peptide complexes ligate both imidazoles cooperatively to the heme, producing only a low spin …
-
Transient collagen triple-helix binding to membrane type 1 matrix metalloproteinase : interaction studies and NMR-guided structural docking
… 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 MMP-14 …
-
An Experimental and Theoretical Investigation into Mg-ion Battery Electrodes using Nuclear Magnetic Resonance Spectroscopy
… materials, where Nuclear Magnetic Resonance (NMR) spectroscopy plays a central role in identifying the local structure and dynamics of the magnesium ions. Density Functional Theory (DFT) techniques are used extensively to (i) calculate and rationalise the observed NMR shifts, (ii) provide …
-
Understanding Transition Metal Dissolution from Battery Materials with Solution NMR Methods
… transition metals (e.g., Mn²⁺, Ni²⁺, Co²⁺) are paramagnetic. In NMR measurements, paramagnetic solutes can significantly affect the peak positions and relaxation rates of nearby chemical species in solution. This work therefore explores the use of solution NMR to characterise and quantify …
-
Design and synthesis of new metallo-organic complexes and their evaluation as anti-cancer agents. Synthesis, characterisation and biological evaluation of novel, late first row transition metal schiff base complexes, as anti-cancer metallopharmaceuticals
… mass spectrometry, magnetic susceptibility and NMR. Single crystal X-ray structures have been determined with 20 reported in this thesis. All ligands act as tridentate ligands in all except one case to form monomeric distorted trigonal-bipyramidal, square-pyramidal or octahedral structures. In …
-
Exploring the Electrode-Electrolyte Interface of Electrically Conductive Layered Metal-Organic Frameworks with Nuclear Magnetic Resonance
… solid-state nuclear magnetic resonance (NMR) spectroscopy to study ion adsorption and the charging mechanisms of these materials. Further, to address a lack of feasibility studies for deployment of MOFs in supercapacitor electrodes, we conduct a Life-Cycle Assessment (LCA) against …
-
Supramolecular effects in pyridinium compounds and their application towards practical redox flow battery systems
… to date. In a second demonstration, *operando* NMR and EPR spectroscopies, as well as *operando* mass spectrometry are used to understand and harness the inherent assembly processes of pyridinium radicals towards improved battery performance. Making use of a scalable and versatile reaction …
-
Chemically Modified Titanium-Oxo Clusters as Molecular Materials
… systematic investigation of the influence of the paramagnetic Ln3+ ions on the NMR behaviour of the 1H and 13C nuclei in the peripheral ligands. Compared to conventional Ln3+-complexes, the ligands in these clusters are separated from the Ln3+ ions by oxo-Ti4+ linkages, and therefore experience a …