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Thesis (Ph. D.)--University of Alberta, 2009. / Title from pdf file main screen (viewed on July 27, 2009). "A thesis submitted to the Faculty of Graduate Studies and Research in partial fulfillment of the requirements for the degree of Doctor of Philosophy, Department of Chemistry, University of Alberta." Includes bibliographical references.

Thesis (Ph. D.)--University of Texas at Austin, 1999. / Vita. Includes bibliographical references (leaves 120-123). Available also in a digital version from Dissertation Abstracts.

Thesis (Ph. D.)--University of Texas at Austin, 2006. / Vita. Includes bibliographical references.

The work described in this thesis was initiated in an attempt to overcome the limitations imposed upon NMR spectroscopy by magnetic field inhomogeneity in two specific areas: high resolution spectroscopy in isotropic liquids, and chemical shift resolved NMR imaging in isotropic liquids. In both cases magnetic field inhomogeneity may degrade the resolution of spectra to such an extent that no useful information can be obtained from them. In high resolution NMR spectroscopy it is necessary to be able to extract accurately the parameters present within the spectrum such as chemical shifts, coupling constants and peak areas. In chemical shift resolved imaging experiments the requirements are less stringent; and it is only necessary that the resonances of different chemical species be resolved. However, even the less stringent requirements of NMR imaging are often difficult to meet as the sample volumes required are often several orders of magnitude larger than those required in conventional high resolution NMR spectroscopy. The use of zero-quantum coherence has been investigated as a potential solution to the magnetic field inhomogeneity problem in both of these areas. Zero-quantum coherences are independent of magnetic field inhomogeneity and contain the parameters desired in both cases, though they are displayed in a way which differs from conventional NMR spectra. In this thesis, existing zero-quantum coherence experiments have been evaluated for use with inhomogeneous magnetic fields, and, where necessary, adapted for this purpose. Several completely new experiments have been developed for producing broad-band decoupled zero-quantum coherence spectra and also for presenting coupling constants and chemical shifts in a manner which is as close to conventional NMR spectra as possible, hence facilitating ease of use. Zero-quantum coherence has been evaluated as a tool for identifying unknown compounds and also for identifying the components of complex mixtures by "signature" recognition. Both decoupled and non-decoupled zero-quantum coherence experiments are adapted to provide imaging experiments which allow the separation of the images of different chemical species in inhomogeneous magnetic fields. The two-dimensional J-resolved experiment is also adapted for this purpose. / Science, Faculty of / Chemistry, Department of / Graduate

The work described in this thesis is divided into two parts: testing and evaluation of some surface coils, and application of the surface coils to in-vivo studies. In particular, the localization properties of surface coils were examined and optimized using the highest performance coil geometry and wire. Application of the surface coil technique to in-vivo studies involved measuring changes in metabolic status of muscle and brain tissue in rats using ³¹P spectroscopy. The properties of surface coils have been studied by evaluating their excitation patterns with ¹H and ³¹P NMR spectroscopy. Surface coils, manufactured in different sizes, geometries, and materials were tested for Q factors, signal-to-noise ratios, and pulse widths required for excitation of the sample. A silver plating on the copper wire used to fabricate the surface coils was found to increase the Q and signal-to-noise of the coil. Examination of the excitation patterns of the surface coils with point samples characterized the B₁ field of the coils as decreasing axially and radially from the coil. Calculations of the magnitude of the B₁ field reveal that its dome-like shape extends to approximately one coil radius above the surface coil. It was found that samples lying outside the domain of this "sensitive volume" did not contribute to a spectrum. These data were all correlated and the "0.9" silver plated coil was deemed to be the most efficient coil with which to pursue further in-vivo studies. In-vivo ³¹P studies of rat tissues were preceded by in-vitro spectral measurements of various metabolites at physiological concentrations. These standards were used to aid in the identification of resonances in the in-vivo spectra. Metabolic changes such as artificially induced ischemia in muscle, deceased brain, and artificially induced brain dementia were compared with "normal" ³¹P spectra of anaesthetized rat tissues. It was found that oxygen deprivation is readily observed with this technique whereas the preparation of brain dementia cannot be diagnosed with ³¹P NMR spectroscopy. / Science, Faculty of / Chemistry, Department of / Graduate

NMR spectra of many systems governed by axially symmetric second rank tensor interactions exhibit P2(cos θ) dependence on the angle 9 between the symmetry axis and the externally applied magnetic field. For the so-called "powder samples" consisting of many randomly oriented domains the resulting spectrum is the superposition of contributions from each such domain. This study deals with a numerical technique enabling one to obtain the lineshapes of such individual contributions responsible for the given powder spectrum. The electric dipolar interaction between two spin 1/2 nuclei produces a characteristic powder lineshape called "Pake doublet", after G.E.Pake, hence the name "de-pake-ing". An iterative algorithm capable of dealing with spectra produced by a variety of systems is developed and checked by applying it to a wide range of simulated NMR spectra. A set of characteristic "signatures" associated with different experimental situations is established and the limits of the applicability of the technique are determined. / Science, Faculty of / Physics and Astronomy, Department of / Graduate

LCModel, which is performed on Linux, has been widely used for quantitative analysis of MRS. Its interface, LCMgui, converts MRS data of various formats to RAW file for LCModel analysis automatically. In this work, we had a web-based MRS analysis tool for GE MRS, GE MRS with Phase-Array and GE 2D-MRSI and improve the capability of web-based MRS analysis tool for GE 3D-MRSI, Siemens MRS/MRSI, and Philips MRS/MRSI. Meanwhile, T2 correction has been involved in the absolute quantification with LCModel. With the same echo-time, the different T2 value of each metabolite results in different degree of signal decay. In order to correct and make absolute concentrations more accurate, we exploit a factor to correct effect of different T2. Two groups of MRS data (TE = 35 and 272 ms) have been studied for comparison.

Report (M.S.)--Virginia Polytechnic Institute and State University. M.S. 1991. / Vita. Abstract. Includes bibliographical references. Also available via the Internet.