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Quantitative characterization of the protein contents of the exocrine pancreatic acinar cell by soft x-ray microscopy and advanced digital imaging methods

Description: The study of the exocrine pancreatic acinar cell has been central to the development of models of many cellular processes, especially of protein transport and secretion. Traditional methods used to examine this system have provided a wealth of qualitative information from which mechanistic models have been inferred. However they have lacked the ability to make quantitative measurements, particularly of the distribution of protein in the cell, information critical for grounding of models in terms of magnitude and relative significance. This dissertation describes the development and application of new tools that were used to measure the protein content of the major intracellular compartments in the acinar cell, particularly the zymogen granule. Soft x-ray microscopy permits image formation with high resolution and contrast determined by the underlying protein content of tissue rather than staining avidity. A sample preparation method compatible with x-ray microscopy was developed and its properties evaluated. Automatic computerized methods were developed to acquire, calibrate, and analyze large volumes of x-ray microscopic images of exocrine pancreatic tissue sections. Statistics were compiled on the protein density of several organelles, and on the protein density, size, and spatial distribution of tens of thousands of zymogen granules. The results of these measurements, and how they compare to predictions of different models of protein transport, are discussed.
Date: June 9, 2000
Creator: Loo, Billy W., Jr.
Partner: UNT Libraries Government Documents Department

A quasi-model-independent search for new high p{_}T physics at DO

Description: We present a new quasi-model-independent strategy (''Sleuth'') for searching for physics beyond the standard model. We define final states to be studied, and construct a rule that identifies a set of relevant variables for any particular final state. A novel algorithm searches for regions of excess in those variables and quantifies the significance of any detected excess. This strategy is applied to search for new high p{_}T physics in approximately 100 pb{sup -1} of proton-anti-proton collisions at sqrt(s) = 1.8 TeV collected by the D0 experiment during 1992-1996 at the Fermilab Tevatron. We systematically analyze many exclusive final states, and demonstrate sensitivity to a variety of models predicting new phenomena at the electroweak scale. No evidence of new high p{_}T physics is observed.
Date: December 11, 2000
Creator: Knuteson, Bruce O.
Partner: UNT Libraries Government Documents Department

Gradient effects on the fracture of inhomogeneous materials

Description: Functionally Graded Materials (FGMs) have a spatial variation in physical properties that can be tailored to meet the needs of a specific application and/or to minimize internal stresses arising from thermal and elastic mismatch. Modeling these materials as inhomogeneous continua allows assessment of the role of the gradient without requiring detailed knowledge of the microstructure. Motivated by the relative difficulty of obtaining analytical solutions to boundary value problems for FGMs, an accurate finite-element code is developed for obtaining numerical planar and axisymmetric linear thermoelastic solutions. In addition an approximate analytical technique for mapping homogeneous-modulus solutions to those for FGMs is assessed and classes of problems to which it applies accurately are identified. The fracture mechanics analysis of FGMs can be characterized by the classic stress intensities, KI and KII, but there has been scarce progress in understanding the role of the modulus gradient in determining fracture initiation and propagation. To address this question, a statistical fracture model is used to correlate near-tip stresses with brittle fracture initiation behavior. This describes the behavior of a material experiencing fracture initiation away from the crack tip. Widely dispersed zones of fracture initiation sites are expected. Finite-length kinks are analyzed to describe the crack path for continuous crack growth. For kink lengths much shorter than the gradient dimension, a parallel stress term describes the deviation of the kinking angle from that for homogeneous materials. For longer kinks there is a divergence of the kink angle predicted by the maximum energy release rate and the pure opening mode criteria.
Date: May 1, 2000
Creator: Becker, T.L.
Partner: UNT Libraries Government Documents Department

Photoisomerization and photodissociation dynamics of reactive free radicals

Description: The photofragmentation pathways of chemically reactive free radicals have been examined using the technique of fast beam photofragment translational spectroscopy. Measurements of the photodissociation cross-sections, product branching ratios, product state energy distributions, and angular distributions provide insight into the excited state potential energy surfaces and nonadiabatic processes involved in the dissociation mechanisms. Photodissociation spectroscopy and dynamics of the predissociative {tilde A}{sup 2}A{sub 1} and {tilde B}{sup 2}A{sub 2} states of CH{sub 3}S have been investigated. At all photon energies, CH{sub 3} + S({sup 3}P{sub j}), was the main reaction channel. The translational energy distributions reveal resolved structure corresponding to vibrational excitation of the CH{sub 3} umbrella mode and the S({sup 3}P{sub j}) fine-structure distribution from which the nature of the coupled repulsive surfaces is inferred. Dissociation rates are deduced from the photofragment angular distributions, which depend intimately on the degree of vibrational excitation in the C-S stretch. Nitrogen combustion radicals, NCN, CNN and HNCN have also been studied. For all three radicals, the elimination of molecular nitrogen is the primary reaction channel. Excitation to linear excited triplet and singlet electronic states of the NCN radical generates resolved vibrational structure of the N{sub 2} photofragment. The relatively low fragment rotational excitation suggests dissociation via a symmetric C{sub 2V} transition state. Resolved vibrational structure of the N{sub 2} photofragment is also observed in the photodissociation of the HNCN radical. The fragment vibrational and rotational distributions broaden with increased excitation energy. Simple dissociation models suggest that the HNCN radical isomerizes to a cyclic intermediate (c-HCNN) which then dissociates via a tight cyclic transition state. In contrast to the radicals mentioned above, resolved vibrational structure was not observed for the ICNN radical due to extensive fragment rotational excitation, suggesting that intermediate bent states are strongly coupled along the dissociation pathway. The measurements performed in ...
Date: August 24, 2000
Creator: Bise, Ryan T.
Partner: UNT Libraries Government Documents Department

Towards Chip Scale Liquid Chromatography and High Throughput Immunosensing

Description: This work describes several research projects aimed towards developing new instruments and novel methods for high throughput chemical and biological analysis. Approaches are taken in two directions. The first direction takes advantage of well-established semiconductor fabrication techniques and applies them to miniaturize instruments that are workhorses in analytical laboratories. Specifically, the first part of this work focused on the development of micropumps and microvalves for controlled fluid delivery. The mechanism of these micropumps and microvalves relies on the electrochemically-induced surface tension change at a mercury/electrolyte interface. A miniaturized flow injection analysis device was integrated and flow injection analyses were demonstrated. In the second part of this work, microfluidic chips were also designed, fabricated, and tested. Separations of two fluorescent dyes were demonstrated in microfabricated channels, based on an open-tubular liquid chromatography (OT LC) or an electrochemically-modulated liquid chromatography (EMLC) format. A reduction in instrument size can potentially increase analysis speed, and allow exceedingly small amounts of sample to be analyzed under diverse separation conditions. The second direction explores the surface enhanced Raman spectroscopy (SERS) as a signal transduction method for immunoassay analysis. It takes advantage of the improved detection sensitivity as a result of surface enhancement on colloidal gold, the narrow width of Raman band, and the stability of Raman scattering signals to distinguish several different species simultaneously without exploiting spatially-separated addresses on a biochip. By labeling gold nanoparticles with different Raman reporters in conjunction with different detection antibodies, a simultaneous detection of a dual-analyte immunoassay was demonstrated. Using this scheme for quantitative analysis was also studied and preliminary dose-response curves from an immunoassay of a mo del antigen were obtained. Simultaneous detection of several analytes at the same address can potentially increase the analysis speed, and can further expand the analysis capability of a microarray chip.
Date: September 21, 2000
Creator: Ni, J.
Partner: UNT Libraries Government Documents Department

Image reconstruction for a Positron Emission Tomograph optimized for breast cancer imaging

Description: The author performs image reconstruction for a novel Positron Emission Tomography camera that is optimized for breast cancer imaging. This work addresses for the first time, the problem of fully-3D, tomographic reconstruction using a septa-less, stationary, (i.e. no rotation or linear motion), and rectangular camera whose Field of View (FOV) encompasses the entire volume enclosed by detector modules capable of measuring Depth of Interaction (DOI) information. The camera is rectangular in shape in order to accommodate breasts of varying sizes while allowing for soft compression of the breast during the scan. This non-standard geometry of the camera exacerbates two problems: (a) radial elongation due to crystal penetration and (b) reconstructing images from irregularly sampled data. Packing considerations also give rise to regions in projection space that are not sampled which lead to missing information. The author presents new Fourier Methods based image reconstruction algorithms that incorporate DOI information and accommodate the irregular sampling of the camera in a consistent manner by defining lines of responses (LORs) between the measured interaction points instead of rebinning the events into predefined crystal face LORs which is the only other method to handle DOI information proposed thus far. The new procedures maximize the use of the increased sampling provided by the DOI while minimizing interpolation in the data. The new algorithms use fixed-width evenly spaced radial bins in order to take advantage of the speed of the Fast Fourier Transform (FFT), which necessitates the use of irregular angular sampling in order to minimize the number of unnormalizable Zero-Efficiency Bins (ZEBs). In order to address the persisting ZEBs and the issue of missing information originating from packing considerations, the algorithms (a) perform nearest neighbor smoothing in 2D in the radial bins (b) employ a semi-iterative procedure in order to estimate the unsampled data and (c) ...
Date: April 1, 2000
Creator: Virador, Patrick R.G.
Partner: UNT Libraries Government Documents Department

Measurement of a Weak Polarization Sensitivity to the Beam Orbit of the CEBAF Accelerator

Description: An accelerator-based experiment was performed using the CEBAF accelerator of the Thomas Jefferson National Accelerator Facility to investigate a predicted sensitivity of the beam polarization to the vertical betatron orbit in the recirculation arcs. This is the first measurement of any such effect at CEBAF, and provides information about the polarized beam delivery performance of the accelerator. A brief description of the accelerator is given, followed by the experimental methods used and the relevant issues involved in measuring a small ({approximately} 10{sup {minus}2}) change in the beam polarization. Results of measurements of the polarization sensitivity parameters and the machine energy by polarization transport techniques are presented. The parameters were obtained by measurement of the strength of the effect as a function of orbit amplitude and spin orientation, to confirm the predicted coupling between the spin orientation and the quadrupole fields in the beam transport system. This experiment included characterizing the injector spin manipulation system and 5 MeV Mott polarimeter, modeling of the polarization transport of the accelerator, installation of magnets to create a modulated orbit perturbation in a single recirculation arc, and detailed studies of the Hall C Moeller polarimeter.
Date: April 1, 2000
Creator: Grames, Joseph
Partner: UNT Libraries Government Documents Department

Characterization of the Dilute Ising Antiferromagnet

Description: A spin glass is a magnetic ground state in which ferromagnetic and antiferromagnetic exchange interactions compete, thereby creating frustration and a multidegenerate state with no long range order. An Ising system is a system where the spins are constrained to lie parallel or antiparallel to a primary axis. There has been much theoretical interest in the past ten years in the effects of applying a magnetic field transverse to the primary axis in an Ising spin glass at low temperatures and thus study phase transitions at the T=0 limit. The focus of this study is to search for and characterize a new Ising spin glass system. This is accomplished by site diluting yttrium for terbium in the crystalline material TbNi{sub 2}Ge{sub 2}. The first part of this work gives a brief overview of the physics of rare earth magnetism and an overview of experimental characteristics of spin glasses. This is followed by the methodology used to manufacture the large single crystals used in this study, as well as the measurement techniques used. Next, a summary of the results of magnetic measurements on across the dilution series from pure terbium to pure yttrium is presented. This is followed by detailed measurements on particular dilutions which demonstrate spin glass behavior. Pure TbNi{sub 2}Ge{sub 2} is an Ising antiferromagnet with a several distinct metamagnetic states below 17 K. As the terbium is alloyed with yttrium, these magnetic states are weakened in a consistent manner, as is seen in measurements of the transition temperatures and analysis of Curie-Weiss behavior at high temperature. At low concentrations of terbium, below 35%, long range order is no longer present and a spin-glass-like state emerges. This state is studied through various measurements, dc and ac susceptibility, resistivity, and specific heat. This magnetic behavior was then compared to that ...
Date: September 12, 2000
Creator: Wiener, T.
Partner: UNT Libraries Government Documents Department

A Spatial Discretization Scheme for Solving the Transport Equation on Unstructured Grids of Polyhedra

Description: In this work, we develop a new spatial discretization scheme that may be used to numerically solve the neutron transport equation. This new discretization extends the family of corner balance spatial discretizations to include spatial grids of arbitrary polyhedra. This scheme enforces balance on subcell volumes called corners. It produces a lower triangular matrix for sweeping, is algebraically linear, is non-negative in a source-free absorber, and produces a robust and accurate solution in thick diffusive regions. Using an asymptotic analysis, we design the scheme so that in thick diffusive regions it will attain the same solution as an accurate polyhedral diffusion discretization. We then refine the approximations in the scheme to reduce numerical diffusion in vacuums, and we attempt to capture a second order truncation error. After we develop this Upstream Corner Balance Linear (UCBL) discretization we analyze its characteristics in several limits. We complete a full diffusion limit analysis showing that we capture the desired diffusion discretization in optically thick and highly scattering media. We review the upstream and linear properties of our discretization and then demonstrate that our scheme captures strictly non-negative solutions in source-free purely absorbing media. We then demonstrate the minimization of numerical diffusion of a beam and then demonstrate that the scheme is, in general, first order accurate. We also note that for slab-like problems our method actually behaves like a second-order method over a range of cell thicknesses that are of practical interest. We also discuss why our scheme is first order accurate for truly 3D problems and suggest changes in the algorithm that should make it a second-order accurate scheme. Finally, we demonstrate 3D UCBL's performance on several very different test problems. We show good performance in diffusive and streaming problems. We analyze truncation error in a 3D problem and demonstrate robustness in ...
Date: November 1, 2000
Creator: Thompson, K.G.
Partner: UNT Libraries Government Documents Department

New perspectives in physics beyond the standard model

Description: In 1934 Fermi postulated a theory for weak interactions containing a dimensionful coupling with a size of roughly 250 GeV. Only now are we finally exploring this energy regime. What arises is an open question: supersymmetry and large extra dimensions are two possible scenarios. Meanwhile, other experiments will begin providing definitive information into the nature of neutrino masses and CP violation. In this paper, we explore features of possible theoretical scenarios, and study the phenomenological implications of various models addressing the open questions surrounding these issues.
Date: September 9, 2000
Creator: Weiner, Neal Jonathan
Partner: UNT Libraries Government Documents Department

Multi-atom resonant photoemission and the development of next-generation software and high-speed detectors for electron spectroscopy

Description: This dissertation has involved the exploration of a new effect in photoelectron emission, multi-atom resonant photoemission (MARPE), as well as the development of new software, data analysis techniques, and detectors of general use in such research. We present experimental and theoretical results related to MARPE, in which the photoelectron intensity from a core level on one atom is influenced by a core-level absorption resonance on another. We point out that some of our and others prior experimental data has been strongly influenced by detector non-linearity and that the effects seen in new corrected data are smaller and of different form. Corrected data for the MnO(001) system with resonance between the O 1s and Mn 2p energy levels are found to be well described by an extension of well-known intraatomic resonant photoemission theory to the interatomic case, provided that interactions beyond the usual second-order Kramers-Heisenberg treatment are included. This theory is also found to simplify under certain conditions so as to yield results equivalent to a classical x-ray optical approach, with the latter providing an accurate and alternative, although less detailed and general, physical picture of these effects. Possible future applications of MARPE as a new probe of near-neighbor identities and bonding and its relationship to other known effects are also discussed. We also consider in detail specially written data acquisition software that has been used for most of the measurements reported here. This software has been used with an existing experimental system to develop the method of detector characterization and then data correction required for the work described above. The development of a next generation one-dimensional, high-speed, electron detector is also discussed. Our goal has been to design, build and test a prototype high-performance, one-dimensional pulse-counting detector that represents a significant advancement in detector technology and is well matched to ...
Date: September 1, 2000
Creator: Kay, Alexander William
Partner: UNT Libraries Government Documents Department

Sum frequency generation vibrational spectroscopy studies of adsorbates on Pt(111): Studies of CO at high pressures and temperatures, coadsorbed with olefins and its role as a poison in ethylene hydrogenation

Description: High pressure high temperature CO adsorption and coadsorption with ethylene and propylene on Pt(111) was monitored in situ with infrared-visible sum frequency generation (SFG). At high pressures and high temperatures, CO dissociates on a Pt(111) surface to form carbon. At 400 torr CO pressure and 673K, CO modifies the Pt(111) surface through a carbonyl intermediate, and dissociates to leave carbon on the surface. SFG was used to follow the CO peak evolution from monolayer adsorption in ultra high vacuum (UHV) to 400 torr CO pressure. At this high pressure, a temperature dependence study from room temperature to 823K was carried out. Auger electron spectroscopy was used to identify carbon on the surface CO coadsorption with ethylene and CO coadsorption with propylene studies were carried out with 2-IR 1-visible SFG. With this setup, two spectral ranges covering the C-H stretch range and the CO stretch range can be monitored simultaneously. The coadsorption study with ethylene reveals that after 5L ethylene exposure on a Pt(111) surface to form ethylidyne , CO at high pressures cannot completely displace the ethylidyne from the surface. Instead, CO first adsorbs on defect sites at low pressures and then competes with ethylidyne for terrace sites at high pressures. Propylene coadsorption with CO at similar conditions shows that propylidyne undergoes conformation changes with increased CO pressure and at 1 torr, is absent from the Pt(111) surface. Experiments on CO poisoning of ethylene hydrogenation was carried by 2-IR 1-visible SFG. At 1 torr CO,10 torr ethylene and 100 torr hydrogen, CO was found to block active sites necessary for ethylene hydrogenation, Above 425K, CO desorbs from the surface to allow ethylene hydrogenation to occur. The gas phase species were monitored by gas chromatography.
Date: December 31, 2000
Creator: Kung, Kyle Yi
Partner: UNT Libraries Government Documents Department

Development of high-intensity D-D and D-T neutron sources and neutron filters for medical and industrial applications

Description: This thesis consists of three main parts. The first one relates to boron neutron capture therapy. It summarizes the guidelines obtained by numerical simulations for the treatment of shallow and deep-seated brain tumors, as well as the results on the design of beam-shaping assemblies to moderate D-D and D-T neutrons to epithermal energies. The second part is about boron neutron capture synovectomy for the treatment of rheumatoid arthritis. Optimal neutron energy for treatment and beam-shaping assembly designs are summarized in this section. The last part is on the development of the sealed neutron generator, including experimental results on the prototype ion source and the prototype accelerator column.
Date: May 10, 2000
Creator: Verbeke, J.M.
Partner: UNT Libraries Government Documents Department

Water resources development in Santa Clara Valley, California: insights into the human-hydrologic relationship

Description: Groundwater irrigation is critical to food production and, in turn, to humankind's relationship with its environment. The development of groundwater in Santa Clara Valley, California during the early twentieth century is instructive because (1) responses to unsustainable resource use were largely successful; (2) the proposals for the physical management of the water, although not entirely novel, incorporated new approaches which reveal an evolving relationship between humans and the hydrologic cycle; and (3) the valley serves as a natural laboratory where natural (groundwater basin, surface watershed) and human (county, water district) boundaries generally coincide. Here, I investigate how water resources development and management in Santa Clara Valley was influenced by, and reflective of, a broad understanding of water as a natural resource, including scientific and technological innovations, new management approaches, and changing perceptions of the hydrologic cycle. Market demands and technological advances engendered reliance on groundwater. This, coupled with a series of dry years and laissez faire government policies, led to overdraft. Faith in centralized management and objective engineering offered a solution to concerns over resource depletion, and a group dominated by orchardists soon organized, fought for a water conservation district, and funded an investigation to halt the decline of well levels. Engineer Fred Tibbetts authored an elaborate water salvage and recharge plan that optimized the local water resources by integrating multiple components of the hydrologic cycle. Informed by government investigations, groundwater development in Southern California, and local water law cases, it recognized the limited surface storage possibilities, the spatial and temporal variability, the relatively closed local hydrology, the interconnection of surface and subsurface waters, and the value of the groundwater basin for its storage, transportation, and treatment abilities. The proposal was typically described as complementing an already generous nature, not simply subduing it. Its implementation was limited by political tensions, ...
Date: June 1, 2000
Creator: Reynolds, Jesse L. & Narasimhan, T.N.
Partner: UNT Libraries Government Documents Department

The intergroup protocols: Scalable group communication for the internet

Description: Reliable group ordered delivery of multicast messages in a distributed system is a useful service that simplifies the programming of distributed applications. Such a service helps to maintain the consistency of replicated information and to coordinate the activities of the various processes. With the increasing popularity of the Internet, there is an increasing interest in scaling the protocols that provide this service to the environment of the Internet. The InterGroup protocol suite, described in this dissertation, provides such a service, and is intended for the environment of the Internet with scalability to large numbers of nodes and high latency links. The InterGroup protocols approach the scalability problem from various directions. They redefine the meaning of group membership, allow voluntary membership changes, add a receiver-oriented selection of delivery guarantees that permits heterogeneity of the receiver set, and provide a scalable reliability service. The InterGroup system comprises several components, executing at various sites within the system. Each component provides part of the services necessary to implement a group communication system for the wide-area. The components can be categorized as: (1) control hierarchy, (2) reliable multicast, (3) message distribution and delivery, and (4) process group membership. We have implemented a prototype of the InterGroup protocols in Java, and have tested the system performance in both local-area and wide-area networks.
Date: November 1, 2000
Creator: Berket, K.
Partner: UNT Libraries Government Documents Department

Development and Evaluation of an Externally Air-Cooled Low-Flow torch and the Attenuation of Space Charge and Matrix Effects in Inductively Coupled Plasma Mass Spectrometry

Description: An externally air-cooled low-flow torch has been constructed and successfully demonstrated for applications in inductively coupled plasma mass spectrometry (ICP-MS). The torch is cooled by pressurized air flowing at {approximately}70 L/min through a quartz air jacket onto the exterior of the outer tube. The outer gas flow rate and operating RF forward power are reduced considerably. Although plasmas can be sustained at the operating power as low as 400 W with a 2 L/min of outer gas flow, somewhat higher power and outer gas flows are advisable. A stable and analytical useful plasma can be obtained at 850 W with an outer gas flow rate of {approximately}4 L/min. Under these conditions, the air-cooled plasma produces comparable sensitivities, doubly charged ion ratios, matrix effects and other analytical merits as those produced by a conventional torch while using significantly less argon and power requirements. Metal oxide ion ratios are slightly higher with the air-cooled plasma but can be mitigated by reducing the aerosol gas flow rate slightly with only minor sacrifice in analyte sensitivity. A methodology to alleviate the space charge and matrix effects in ICP-MS has been developed. A supplemental electron source adapted from a conventional electron impact ionizer is added to the base of the skimmer. Electrons supplied from this source downstream of the skimmer with suitable amount and energy can neutralize the positive ions in the beam extracted from the plasma and diminish the space charge repulsion between them. As a result, the overall ion transmission efficiency and consequent analyte ion sensitivities are significantly improved while other important analytical aspects, such as metal oxide ion ratio, doubly charged ion ratio and background ions remain relatively unchanged with the operation of this electron source. This technique not only improves the ion transmission efficiency but also minimizes the matrix effects drastically. ...
Date: September 12, 2000
Creator: Praphairaksit, N.
Partner: UNT Libraries Government Documents Department

Spectroscopic study of the light-harvesting protein C-phycocyanin associated with colorless linker peptides

Description: The phycobilisome (PBS) light-harvesting antenna is composed of chromophore-containing biliproteins and 'colorless' linker peptides and is structurally designed to support unidirectional transfer of excitation energy from the periphery of the PBS to its core. The linker peptides have a unique role in this transfer process by modulating the spectral properties of the associated biliprotein. There is only one three-dimensional structure of a biliprotein/linker complex available to date (APC/LC7.8) and the mechanism of interaction between these two proteins remains unknown. This study brings together a detailed spectroscopic characterization of C-Phycocyanin (PC)-linker complexes (isolated from Synechococcus sp. PCC 7002) with proteomic analysis of the linker amino acid sequences to produce a model for biliprotein/linker interaction. The amino acid sequences of the rod linkers [LR8.9, LR32.3 and LRC28.5] were examined to identify evolutionarily conserved regions important to either the structure or function of this protein family. Although there is not one common homologous site among all the linkers, there are strong trends across each separate subset (LC, LR and LRC) and the N-terminal segments of both LR32.3 and LRC28.5 display multiple regions of similarity with other linkers. Predictions of the secondary structure of LR32.3 and LRC28.5, and comparison to the crystal structure of LC7.8, further narrowed the candidates for interaction sites with the PC chromophores. Measurements of the absorption, fluorescence, CD and excitation anisotropy of PC trimer, PC/LR32.3, and PC/LRC28.5, document the spectroscopic effect of each linker peptide on the PC chromophores at a series of temperatures (298 to 77 K). Because LR32.3 and LRC28.5 modulate the PC trimer spectral properties in distinct manners, it suggests different chromophore-interaction mechanisms for each linker. The low temperature absorbance spectrum of the PC trimer is consistent with an excitonic coupling interaction between neighboring a84 and b84 chromophores. Association with LR32.3 does not greatly alter this band ...
Date: May 12, 2000
Creator: Pizarro, Shelly A.
Partner: UNT Libraries Government Documents Department

Transition Metal Complexes of Cr, Mo, W and Mn Containing {eta}{sup 1}(S)-2,5-Dimethylthiophene, Benzothiophene and Dibenzothiophene Ligands

Description: The UV photolysis of hexanes solutions containing the complexes M(CO){sub 6} (M=Cr, Mo, W) or CpMn(CO){sub 3} (Cp={eta}{sup 5}-C{sub 5}H{sub 5}) and excess thiophene (T{sup *}) (T{sup *}=2,5-dimethylthiophene (2,5-Me{sub 2}T), benzothiophene (BT), and dibenzothiophene (DBT)) produces the {eta}{sup 1}(S)-T{sup *} complexes (CO){sub 5}M({eta}{sup 1}(S)-T{sup *}) 1-8 or Cp(CO){sub 2}Mn({eta}{sup 1}(S)-T{sup *})9-11, respectively. However, when T{sup *}=DBT, and M=Mo, a mixture of two products result which includes the {eta}{sup 1}(S)-DBT complex (CO){sub 5}Mo({eta}{sup 1}(S)-DBT) 4a and the unexpected {pi}-complex (CO){sub 3}Mo({eta}{sup 6}-DBT) 4b as detected by {sup 1}H NMR. The liability of the {eta}{sup 1}(S)-T{sup *} ligands is illustrated by the rapid displacement of DBT in the complex (CO){sub 5}W({eta}{sup 1}(S)-DBT) (1) by THF, and also in the complexes (CO){sub 5}Cr({eta}{sup 1}(S)-DBT) (5) and CpMn(CO){sub 2}({eta}{sup 1}(S)-DBT) (9) by CO (1 atm) at room temperature. Complexes 1-11 have been characterized spectroscopically ({sup 1}H NMR, IR) and when possible isolated as analytically pure solids (elemental analysis, EIMS). Single crystal, X-ray structural determinations are reported for (CO){sub 5}W({eta}{sup 1}(S)-DBT) and Cp(CO){sub 2}Mn({eta}{sup 1}(S)-DBT).
Date: September 21, 2000
Creator: Reynolds, M.
Partner: UNT Libraries Government Documents Department

Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

Description: The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.
Date: May 1, 2000
Creator: Roberts, J.G.
Partner: UNT Libraries Government Documents Department

Towards the resolution of the solar neutrino problem

Description: A number of experiments have accumulated over the years a large amount of solar neutrino data. The data indicate that the observed solar neutrino flux is significantly smaller than expected and, furthermore, that the electron neutrino survival probability is energy dependent. This ''solar neutrino problem'' is best solved by assuming that the electron neutrino oscillates into another neutrino species. Even though one can classify the solar neutrino deficit as strong evidence for neutrino oscillations, it is not yet considered a definitive proof. Traditional objections are that the evidence for solar neutrino oscillations relies on a combination of hard, different experiments, and that the Standard Solar Model (SSM) might not be accurate enough to precisely predict the fluxes of different solar neutrino components. Even though it seems unlikely that modifications to the SSM alone can explain the current solar neutrino data, one still cannot completely discount the possibility that a combination of unknown systematic errors in some of the experiments and certain modifications to the SSM could conspire to yield the observed data. To conclusively demonstrate that there is indeed new physics in solar neutrinos, new experiments are aiming at detecting ''smoking gun'' signatures of neutrino oscillations, such as an anomalous seasonal variation in the observed neutrino flux or a day-night variation due to the regeneration of electron neutrinos in the Earth. In this dissertation we study the sensitivity reach of two upcoming neutrino experiments, Borexino and KamLAND, to both of these effects. Results of neutrino oscillation experiments for the case of two-flavor oscillations have always been presented on the (sin{sup 2} 2{theta}, {Delta}m{sup 2}) parameter space. We point out, however, that this parameterization misses the half of the parameter space {pi}/4 < {theta} {le} {pi}/2, which is physically inequivalent to the region 0 {le} {theta} {le} {pi}/4 in the presence ...
Date: August 29, 2000
Creator: Friedland, Alexander
Partner: UNT Libraries Government Documents Department

X-ray and photoelectron spectroscopy of the structure, reactivity, and electronic structure of semiconductor nanocrystals

Description: Semiconductor nanocrystals are a system which has been the focus of interest due to their size dependent properties and their possible use in technological applications. Many chemical and physical properties vary systematically with the size of the nanocrystal and thus their study enables the investigation of scaling laws. Due to the increasing surface to volume ratio as size is decreased, the surfaces of nanocrystals are expected to have a large influence on their electronic, thermodynamic, and chemical behavior. In spite of their importance, nanocrystal surfaces are still relatively uncharacterized in terms of their structure, electronic properties, bonding, and reactivity. Investigation of nanocrystal surfaces is currently limited by what techniques to use, and which methods are suitable for nanocrystals is still being determined. This work presents experiments using x-ray and electronic spectroscopies to explore the structure, reactivity, and electronic properties of semiconductor (CdSe, InAs) nanocrystals and how they vary with size. Specifically, x-ray absorption near edge spectroscopy (XANES) in conjunction with multiple scattering simulations affords information about the structural disorder present at the surface of the nanocrystal. X-ray photoelectron spectroscopy (XPS) and ultra-violet photoelectron spectroscopy (UPS) probe the electronic structure in terms of hole screening, and also give information about band lineups when the nanocrystal is placed in electric contact with a substrate. XPS of the core levels of the nanocrystal as a function of photo-oxidation time yields kinetic data on the oxidation reaction occurring at the surface of the nanocrystal.
Date: May 1, 2000
Creator: Hamad, K.S.
Partner: UNT Libraries Government Documents Department

Selective excitation of the yellow and blue luminescence in n- and p-doped Gallium Nitride

Description: GaN is an interesting material: technologically very useful, but still having many unexplained features. Two such features are the broad defect-related luminescence bands: the YL of n-type GaN and the BL of Mg-doped p-type GaN. We have employed selective excitation to investigate these bands. In the case of the YL, most of the previous evidence has supported a recombination model between distant donors and acceptors, most likely a transition involving a shallow donor to a deep acceptor. Our selective excitation experiments have resolved finer structures within the YL. Our results indicate that the YL in bulk samples is related to the YL in film samples. We suggest that selectively excited YL involves recombination at DAP complexes, rather than between spatially distant DAPs (however other recombination channels, including that of distant DAPs may become significant under other excitation conditions). Characteristics of the DAP complexes within our YL model include (a) an electron localization energy of around 60-70 meV, (b) a localized phonon energy of around 40 meV, and (c) excited states of the complex at 200 and 370 meV above the ground state. In the case of the BL, the deep defect responsible for the BL is unknown, and there may not even be a deep defect involved. Also in dispute is the role of potential fluctuations in the properties of the BL. Our results have been explain in a model whereby emission is from DAPs, and significant effects are produced by doping-related potential fluctuations and disorder. Characteristics of the our model for the BL include (a) an Urbach tail, having width E{sub 0} = 33 meV, (b) a strong electron-LO phonon coupling occurring with a Frank-Condon shift of {approx} 180 meV between excitation and emission, (c) a mobility gap at 2.8 eV, separating highly mobile states and highly localized states, ...
Date: December 31, 2000
Creator: Colton, John S.
Partner: UNT Libraries Government Documents Department

Sum-frequency spectroscopic studies: I. Surface melting of ice, II. Surface alignment of polymers

Description: Surface vibrational spectroscopy via infrared-visible sum-frequency generation (SFG) has been established as a useful tool to study the structures of different kinds of surfaces and interfaces. This technique was used to study the (0001) face of hexagonal ice (Ih). SFG spectra in the O-H stretch frequency range were obtained at various sample temperatures. For the vapor(air)/ice interface, the degree of orientational order of the dangling OH bonds at the surface was measured as a function of temperature. Disordering sets in around 200 K and increases dramatically with temperature, which is strong evidence of surface melting of ice. For the other ice interfaces (silica/OTS/ice and silica/ice), a similar temperature dependence of the hydrogen bonded OH stretch peak was observed; the free OH stretch mode, however, appears to be different from that of the vapor (air)/ice interface due to interactions at the interfaces. The technique was also used to measure the orientational distributions of the polymer chains on a rubbed polyvinyl alcohol surface. Results show that the polymer chains at the surface appear to be well aligned by rubbing, and the adsorbed liquid crystal molecules are aligned, in turn, by the surface polymer chains. A strong correlation exists between the orientational distributions of the polymer chains and the liquid crystal molecules, indicating that the surface-induced bulk alignment of a liquid crystal film by rubbed polymer surfaces is via an orientational epitaxy-like mechanism. This thesis also contains studies on some related issues that are crucial to the above applications. An experiment was designed to measure SFG spectra in both reflection and transmission. The result confirms that SFG in reflection is generally dominated by the surface contribution. Another issue is the motional effect due to fast orientational motion of molecules at a surface or interface. Calculations show that the effect is significant if the ...
Date: December 21, 2000
Creator: Wei, Xing
Partner: UNT Libraries Government Documents Department