Physical Sciences and Mathematics Commons^™

Synthesis And Characterization Of Uranyl Dipyrrin Complexes For Environmental Applications, Duer Bolotaulo Bolotaulo

Open Access Theses & Dissertations

Persistent organic pollutants (POPs) are toxic chemicals that adversely affect the health of human populations as well as the environment. The need to develop remediation methods and materials as well as understand the mechanisms in which they can degrade POPs is necessary. Furthermore, heterogeneous phase metal based catalysts in place today do not fully understand the chemistry underlying degradation processes. The proposed research seeks to synthesize and characterize uranyl dipyrrin complexes to assess and understand the reactivity of uranyl dipyrrins with pollutants. Photophysical and electrochemical techniques will be used to characterize and determine the viability of utilizing the uranyl complexes …

Scalability Improvements To Nrlmol For Dft Calculations Of Large Molecules, Carlos Manuel Diaz

Open Access Theses & Dissertations

Advances in high performance computing (HPC) have provided a way to treat large, computationally demanding tasks using thousands of processors. With the development of more powerful HPC architectures, the need to create efficient and scalable code has grown more important. Electronic structure calculations are valuable in understanding experimental observations and are routinely used for new materials predictions. For the electronic structure calculations, the memory and computation time are proportional to the number of atoms. Memory requirements for these calculations scale as N2, where N is the number of atoms. While the recent advances in HPC offer platforms with large numbers …

Density Functional Study Of Reactivity And Regioselectivity Of H2o@C60, Govinda Bahadur Kc

Open Access Theses & Dissertations

The exohedral reactivity of endohedral fullerene has aroused significant interest because of its potential applications in biology, medicine and material science. The encapsulation of a single water molecule without any hydrogen bonding to other compounds, inside the hydrophobic environment of C60 is an intriguing topic to study about. In 2011, Kurotobi and Murata successfully synthesized H2O@C60 fullerene. The presence of a polar water molecule inside the cage is expected to cause changes in the exohedral reactivity of C60. In order to find out the impact of an entrapped single water molecule on the reactivity of C60 fullerene, we use density …

Removal Of Endocrine Disrupting Compounds From Water And Wastewater Using Ecofriendly Materials, Alma Lili Loya Posada

Open Access Theses & Dissertations

Endocrine disrupting chemicals (EDCs) are compounds considered pollutants of emerging concern. The United States Environmental Protection Agency (USEPA) defines emerging pollutants as new chemicals without regulatory status and with an impact on the environment and human health that is poorly understood. Bisphenol A (BPA) has been considered an EDC and found to be ubiquitous in the environment because of its presence in a multitude of products including food and beverage packaging, flame retardants, adhesives, building materials, electronic components, and paper coatings Currently, BPA is not regulated by the federal government in the US and waste water treatment plants are not …

Box-Fusion: A Way To Enhance The Pairwise Testing Approach, Omar Ochoa

Open Access Theses & Dissertations

Critical software systems that have failed due to the software errors are well documented. As our dependency on computer-based systems increases and such systems become more complex, software verification becomes even more important. Enhancing and improving the verification and defect correction techniques used in software engineering for the development of software systems is of utmost importance to keep pace with our increasing reliance on software.

Pairwise testing has emerged as an effective technique for software system-level testing that have large combinations of inputs, although a drawback is the lack of support for defect location. This research aims to increase the …

Bioavailability Of Metal/Metal Oxide Nanomaterials And Their Effects On The Physiology Of Plants, Nubia Zuverza Mena

Open Access Theses & Dissertations

Nanoparticles (NPs) contained in consumer products will undoubtedly reach the environment. Engineered nanomaterials (ENMs) may cause physiological and biochemical alterations in plants and, therefore, have noteworthy effects on their growth and proliferation. Edible plants are a means through which NPs can reach organisms of higher trophic levels that feed on them. Previous studies have demonstrated that there are strong interactions between NPs and terrestrial plants. This project intends to evaluate the impacts that various commercially available NPs have on plants. Copper (Cu) nanomaterials and conventional Cu compounds were compared in cilantro plants (Chapter 2). In addition, changes in radish sprouts …

Geophysical Constraints On The Hueco And Mesilla Bolsons: Structure And Geometry, Victor Manuel Avila

Open Access Theses & Dissertations

The Hueco and Mesilla Bolsons are part of the intramountain basins of the Rio Grande Rift system. These bolsons are the primary source of groundwater for the El Paso-Ciudad Juarez metropolitan area and contain faults that show evidence of repeated earthquakes during the Quaternary. The region is also associated with has low-level (M<4) seismicity. The collection and analysis of precision gravity data, coupled with information from water wells, multichannel analysis of surface waves (MASW) studies and previously published seismic reflection lines, have been used to examine the structure and faulting within these bolson. This study reveals that the Hueco and Mesilla Bolsons are very different structurally. The southern Mesilla Bolson contains about 500 m of sediment. Faults are difficult to trace and have less than 50-100 m of displacement across them. The southernmost bolson contains numerous Tertiary intrusions and the thickness of Cretaceous bedrock appears to decrease from south to north, possibly delineating the edge of Laramide age deformation within the bolson. The northern Hueco Bolson contains 1800 to 2500 m of basin fill. Displacement along the East Franklin Mountains fault (EFMF), a fault with evidence for repeated earthquakes within the past 64,000 years, is about 1500 m, and displacement on intrabasin faults is 200-300 m. Several intrabasin faults appear to control the saline to freshwater contact within the bolson. The EFMF may extend over 30 km south of the end of its mapped trace at the end of the Franklin Mountains and a number of intrabasin faults also extend south into the urbanized regions of the study area. The EFMF and other basin structures appear to be offset or disrupted at the speculated edge of Laramide deformation that lies beneath the bolson. Horizontal Gradient Methods (HGM) were applied to the gravity data and were successful for tracing faults and older Laramide features within the Hueco Bolson beneath the urbanized regions of the cities. HGM were not as successful at tracing faults within the Mesilla Bolson, however they were helpful for tracing the subsurface extent of igneous intrusions including the Mt. Cristo Rey, River, Three Sisters, and the Westerner outcrops. Some of these features appear linked at depth by a series of dikes and faults. MASW data were used to determine the average shear wave velocity in the upper 30m (Vs 30) at ~70 sites within the Hueco Bolson. These observations were combined with similar data collected previously in Juarez to produce regional velocity and site classification maps. The results show low velocities are found close to the river within fluvial deposits with higher velocities close to the Franklin Mountains where bedrock is close to the surface and higher velocities in upland regions of northeast El Paso were soils appear to be more highly cemented. These data will be used in conjunction with information on bolson geometries to model the expected effects of strong ground motion from earthquakes in the El Paso-Ciudad Juarez region.

Minimizing Environmental Impacts For Hub And Spoke Distribution Network Problems Through The Use Of Multi-Objective Evolutionary Algorithms, Ileana Delgado

Open Access Theses & Dissertations

While transportation is crucial to our economy and our personal lives, as a sector it is also a significant source of greenhouse gas (GHG) emissions. The AASHTO report states, "America's transportation system has served us well, but now faces the challenges of congestion, energy supply, environmental impacts, climate change, and threatens the economic, social, and environmental future of the nation". With respect to the environment, transportation is the most visible aspect of supply chains. Transportation emissions can be reduced by implementing approaches that contribute to GHG emissions reduction, for example, the use of low-carbon fuels, new and improved vehicle technologies, …

Two-Photon Excitation Based Photochemistry And Neural Imaging, Kevin Andrew Hatch

Open Access Theses & Dissertations

Two-photon microscopy is a fluorescence imaging technique which provides distinct advantages in three-dimensional cellular and molecular imaging. The benefits of this technology may extend beyond imaging capabilities through exploitation of the quantum processes responsible for fluorescent events. This study utilized a two-photon microscope to investigate a synthetic photoreactive collagen peptidomimetic, which may serve as a potential material for tissue engineering using the techniques of two-photon photolysis and two-photon polymerization. The combination of these techniques could potentially be used to produce a scaffold for the vascularization of engineered three-dimensional tissues in vitro to address the current limitations of tissue engineering. Additionally, …

Innovations In Thermoelectric Materials Research: Compound Agglomeration, Testing And Preselection, Hugo Lopez

Open Access Theses & Dissertations

Thermoelectric materials have the capacity to convert a temperature differential into electrical power and vice versa. They will represent the next revolution in alternative energies once their efficiencies are enhanced so they can complement other forms of green energies that depend on sources other than a temperature differential.

Progress in materials science depends on the ability to discover new materials to eventually understand them and to finally improve their properties. The work presented here is aimed at dynamizing the screening of materials of thermoelectric interest. The results of this project will enable: theoretical preselection of thermoelectric compounds based on their …

Educational Use Of Social Media: Exploring Science And Engineering College Students' Perceptions About Utilizing Facebook To Enhance The Learning Of Physics, Angel Salvador Marquez

Open Access Theses & Dissertations

The aim of this qualitative investigation is to explore a group of science and engineering students' perceptions about utilizing Facebook to enhance the learning of physics. Particularly, a survey composed of multiple choice and open-ended questions was employed as to obtain participantsâ?? reactions on a proposed scenario where Facebook is utilized in an Introductory Classical Mechanics course as the medium to manage the following academic activities throughout the semester: examinations, class preparations, study guides, homework assignments, lab preparations, creating group studies, and class participation dynamics. Out of the 120 potential candidates, 106 of them accepted to voluntarily participate in this …

Towards The Scalability And Hybrid Parallelization Of A Spatially Variant Lattice Algorithm, Henry Roger Moncada Lopez

Open Access Theses & Dissertations

The purpose of this research is to design a faster implementation of the spatially variant algorithm that improves its performance when it is running on a parallel computer system.

The spatially variant algorithm is used to synthesize a spatially variant lattice for a periodic electromagnetic structure. The algorithm has the ability to spatially vary the unit cell orientation and exploit its directional dependencies. The algorithm produces a lattice that is smooth, continuous and free of defects. The lattice spacing remains strikingly uniform when the unit cell orientation, lattice spacing, fill fraction and more are spatially varied. This is important for …

An Evaluation Framework For Scientific Programming Productivity, W.K. Umayanganie Munipala Munipala

Open Access Theses & Dissertations

Substantial time is spent on building, optimizing and maintaining large-scale software that is run on supercomputers. However, little has been done to utilize overall resources efficiently when it comes to including expensive human resources. The community is beginning to acknowledge that optimizing the hardware performance such as speed and memory bottlenecks contributes less to the overall productivity than does the development lifecycle of high-performance scientific applications. Researchers are beginning to look at overall scientific workflows for high performance computing. Scientific programming productivity is measured by time and effort required to develop, configure, and maintain a simulation experiment and its constituent …

Synthesis Of Neoglycoproteins/Neoglycopeptides And Their Immunological Evaluation In The Context Of Chagas Disease, Nathaniel Scott Schocker

Open Access Theses & Dissertations

The protozoan parasite, Trypanosoma cruzi, the etiologic agent of Chagas disease (ChD), has a cell surface covered by immunogenic glycoconjugates. A synthetic glycoarray containing non-reducing α-galactopyranosyl moieties related to mucin O-glycans of the parasite T. cruzi was evaluated by a chemiluminescent enzyme-linked immunosorbent assay (CL-ELISA) with sera from patients with chronic ChD, revealing the disaccharide Galα(1,3)Galβ as the immunodominant glycotope (Chapter 2). This disaccharide comprises the two terminal sugars of the known immunodominant glycotope Galα(1,3)Galβ(1,4)GlcNAcα, which is expressed on glycosylphosphatidylinositol-anchored mucins of the infective trypomastigote stage of T. cruzi and triggers high levels of protective anti-α-Gal antibodies (Abs) in infected …

Investigation Of Lunar Subsurface Cavities Using Thermal Inertia And Temperature Maximum To Minimum Ratios, Rachel Ann Slank

Open Access Theses & Dissertations

Previous studies have revealed a small number of subsurface cavities, including lava tubes, as well as skylights, lava flow pits, and impact melt pits on the Moon. The interiors of subsurface cavities would have been protected from micrometeorite bombardment, solar radiation, space weathering, and extreme diurnal temperature swings over long periods of geologic time. As a result, subsurface cavities can provide access to pristine crustal samples and stratigraphy. These cavities may also harbor important volatiles, such as water ice, that would enable future exploration missions by relieving many operational constraints, including the supply of propellants and life support. In addition, …

Computational Modeling Of A 60kw Oxy-Methane Direct Power Extraction Combustor, Omar Daniel Vidana

Open Access Theses & Dissertations

ANSYS Fluent was used to optimize components of a direct power extraction combustor. This includes the fuel injector, nozzle, and cooling units. Changes in the injector's inlet location impacted pressure and velocity distribution. An angle of 115 degrees with respect to the x-axis was found to increase distribution efficiency. Temperature and velocity data from the combustor and nozzle were calculated using NASA CEA and Fluent. Magnitudes of temperature and velocity for CEA and Fluent matched within 9% and 4%, respectively. For the cooling system it is expected that cavitation will not occur since the saturation temperature of water is not …

Secondary Mathematics Teachers' Disposition Toward Challenge And Its Impact On Teaching Practice, Yirah Mariana Valverde

Open Access Theses & Dissertations

This two phase, sequential exploratory study focused on mathematics teachers' disposition toward challenge and its impact in their teaching practice and students' performance. This heavily qualitative study employed a mixed methodology to answer the following guiding research question: how do teachersâ?? disposition towards challenge affect teaching practice and what is the nature of that relationship?

During the initial phase (quantitative), two teachers who were enrolled in a graduate mathematics at a University in the southwestern U.S. were selected for the study (N=5). The goal of the class was to increase the participants' mathematical knowledge for teaching. The purposive selection was …

Twenty-Seven Element Albertian Semifields, Thomas Joel Hughes

Open Access Theses & Dissertations

In 1958 Abraham Adrian Albert published his findings on the now famous class of semifields known as twisted fields or, as we refer to them in this Thesis, Albertian semifields. Since the publication of his findings, interest in the topic of semifields has grown and, naturally, some progress has been made in the subject, but there is still much to be studied. Moreover, the greater portion of modern efforts have been made to develop a theory of semifields, with less attention paid to more practical considerations. In this Thesis, we will narrow our investigations to a specific subclass of Albert's …

An A Posteriori Error Estimator For The C0 Interior Penalty Approximations Of Fourth Order Elliptic Boundary Value Problem On Quadrilateral Meshes, Mohammad Arifur Rahman

Open Access Theses & Dissertations

Numerical solutions of fourth order elliptic problems with finite element methods has been the topic of research in computational mechanics for over 50 years. Traditional approaches to solve these problems include using C1 conforming finite element methods which demand the C1 continuity of the underlying shape functions, which is computationally very expensive. In this work, we will present the C0 Interior Penalty Galerkin approximation of the fourth order elliptic problems which relies only on continuous i.e., C0 shape functions, which is much cheaper to implement. The spatial discretization is based on quadrilateral meshes and the underlying C0 shape functions are …

Modulation Of The Physiological And Biochemical Effects Of Copper Nanoparticles In Kidney Beans (Phaseouls Vulgaris) Treated By Kinetin, Suzanne Annette Apodaca

Open Access Theses & Dissertations

It is imperative to not only understand the impact of engineered nanomaterials (ENMs) in edible plants, but also the interactions they have with various additives used in agriculture. In this study, kidney bean plants were grown in potting soil treated with nano copper (nCu), bulk copper (bCu), and copper chloride (CuCl2) at concentrations of 0, 50, and 100 mg/kg for 55 and 90 days. At 15 days of growth, 0, 10, and 100 μm of kinetin (KN) were applied to plants. Plant tissue samples were harvested at 55 days and seeds were reaped at 90 days. Physiological and biochemical parameters …

Geochemical Signatures As A Chemostratigraphic Tool To Correlate Stacked Carbonates Of The Glorieta, Victorio Peak, Cutoff, And Upper San Andres Formations West Dog Canyon, Guadalupe Mountains, New Mexico, Eric Bergersen

Open Access Theses & Dissertations

For oil exploration, stratigraphic correlation of formations over distance and across structural complications is essential. I tested if an established method – carbon and oxygen isotope composition of carbonates (δ 18Ocarbonate, δ13Ccarbonate) and a new chemostratigraphic tool – sulfur isotope composition of Carbonate Associated Sulfate (δ34SCAS) can aid in the correlation of rock packages belonging to multiple stacked carbonate horizons from a carbonate platform.

In my study area, located in the Brokeoff Mountains, north of the Guadalupe Mountains National Park, the δ18Ocarbonate, δ 13Ccarbonate and δ34SCAS scatter strongly within single beds of the Leonardian-aged Victorio Peak Formation. In stratigraphic order, …

Adaptive Switched Capacitor Voltage Boost For Thermoelectric Generation, Rene A. Brito

Open Access Theses & Dissertations

Thermoelectric generators (TEG) and other forms of energy harvesting often provide voltages that are not directly usable by traditional electronics as levels are too low from the TEG. While increasing the number of thermoelectric elements can ultimately increase the power output, there is a tradeoff between size and power. By implementing charge pumps, a proposed circuit technique is described that can boost the TEG output to levels that can be used for energy harvesting applications. Current voltage boost circuits for TEGs simply boost a voltage by a set amount. The proposed circuit consists of an analog chip, to provide several …

Assessing Accuracies And Improving Efficiency For Segmentation-Based Rna Secondary Structure Prediction Methods, Gerardo A. Cardenas

Open Access Theses & Dissertations

RNA secondary structure prediction has become an important area of interest in biology and medicine because it helps in understanding the mechanisms of many biological processes such as gene regulation and viral replication, and in designing RNA-based therapies to treat various diseases such as cancers and AIDS. Different thermodynamics-based computational algorithms for RNA structure prediction exist, and have been used to help understand the disease mechanisms and design treatments. However, most of these computational tools that can predict complex pseudoknot structures have a sequence length limitation of few hundred nucleotide bases due to their high demands of computer resources. Yet, …

A Novel Approach For Evaluating The Impact Of Fixed Variables On Photovoltaic (Pv) Solar Installations Using Enhanced Meta Data Analysis Among Higher Education Institutions In The United States, Diane N. De Hoyos

Open Access Theses & Dissertations

The global demand for electric energy has continuously increased over the last few decades. Some mature, alternative generation methods are wind, power, photovoltaic panels, biogas and fuel cells. In order to find alternative sources of energy to aid in the reduction of our nation's dependency on non-renewable fuels, energy sources include the use of solar energy panels. The intent of these initiatives is to provide substantial energy savings and reduce dependence on the electrical grid and net metering savings during the peak energy-use hours.

The focus of this study explores and provides a clearer picture of the adoption of solar …

Reconstructing Late Pleistocene And Holocene Paleoenvironments Using Playa-Lunette System Sediments Within The Harney Basin Of Southeastern Oregon, Usa, Joe Collins

Open Access Theses & Dissertations

Paleoenvironmental investigations of the Late Pleistocene and Early Holocene in the Harney Basin of eastern Oregon have been limited to date. This Dissertation investigates and links the stratigraphy of Rimrock Draw Rockshelter (35HA3855) (RDR) and two surrounding playas, Rimrock Lake and Hay Lake, located on the western margin of the Harney Basin, in order to identify paleoenvironmental shifts during the last ~20 kyr. An emphasis also is given to demonstrating the potential for playas in the Harney Basin to record changes in paleoclimate, as well as the application of multivariate statistics to interpret paleoenvironments from sedimentary grain size data. Stratigraphy …

Paper/Polymer Hybrid Microfluidic Biochips For Infectious Disease Diagnosis, Maowei Dou

Open Access Theses & Dissertations

Infectious diseases frequently cause public health concerns and they often occur in high-poverty regions. Hence, a simple and low-cost method is in great need for immediate and early diagnosis of infectious diseases. Recently, microfluidic lab-on-a-chip offers a unique opportunity for various biomedical applications. Since different chip substrates have different advantages and limitations, hybrid devices can draw more benefits from different substrates. Therefore, we have developed three paper/polymer hybrid microfluidic biochips integrated with loop-mediated isothermal amplification (LAMP) for high-sensitivity infectious disease diagnosis.

We for the first time developed a low-cost paper/polydimethylsiloxane (PDMS) hybrid microfluidic biochip for rapid, sensitive and instrument-free detection …

Impacts Of Environmental Changes To The Middle Rio Grande Landscape On Ysleta Del Sur Pueblo's Cultural And Cermonial Sustainability, Andrea L. Everett

Open Access Theses & Dissertations

Given future climate scenarios, this Thesis investigates how plausible climate changes will further impact the Native American community of Ysleta del Sur Pueblo's (Tiguas) cultural continuity and access to riparian ecosystem services along the Rio Grande River (specific to Tigua tradition; riparian vegetation used in ceremony, i.e. Gooding's and Coyote willow). The project aims to (1) describe and understand the relationship between regional climatic changes, anthropogenic changes, and major events in Tigua history, (2) identify rates and patterns of riparian vegetation changes, (3) evaluate impacts on cultural and provisioning ecosystem services relevant to Tigua culture, and relate these to climate …

Quantifying A Mining Investability Quotient To Mitigate Junior Mining Investment Risk, Jonathan Mickey Merguerian

Open Access Theses & Dissertations

Uncertainty and risk are inherent features of investing in mineral exploration ventures. Investors rely on qualitative and quantitative analysis to evaluate risk of capital. The distinction between risk and uncertainty pertaining to mineral exploration is that risk is an opportunity for loss and uncertainty can be described as the range of probabilities that some condition may occur (Rose, 1987). Stakeholders rely on a combination of investment conferences, risk analysis equations, press releases, financial reports, and investment research to determine if an investment potential. J. M. Cozzolini developed a formula for Risk Adjusted Value (RAV) of an exploration venture. The study …

An Integrated Geophysical Survey Of Kilbourne Hole, Southern New Mexico: Implications For Near Surface Exploration Of Mars And The Moon, Nisa Maksim

Open Access Theses & Dissertations

Features such as the Home Plate plateau on Mars, a suspected remnant of an ancient phreatomagmatic eruption, can reveal important information about paleohydrologic conditions. The eruption intensity of a phreatomagmatic volcano is controlled mainly by the quantity of water and magma, the internal geometry of the volcano, and the depth of the interaction zone between magma and water. In order to understand the paleohydrologic conditions at the time of eruption, we must understand all the factors that influenced the phreatomagmatic event. I conducted an integrated geophysical survey, which are magnetic and gravity surveys, and a ground-penetrating radar (GPR) surveys at …

Study On Dioxygen Binding To Heme Using Scan Functional, Zegnet Yimer Muhammed

Open Access Theses & Dissertations

Density functional theory, a quantum mechanical based electronic structure method with GGA-PBE and MGG-SCAN functionals, are used to investigate the structure and energies of singlet, triplet, and quintet spin states of FeP (iron Porphyrin), FePIm (imidazole iron porphyrin), and FePImO2 (dioxygen imidazole iron porphyrin) systems. The binding and release of dioxygen to and from hemoglobin (Hb) are the most crucial reaction takes place in human body to sustain the existence of life. FePImO2 is used to model this phenomenon. When O2 binds to FePIm, the system undergoes a conformational change. i.e. from domed structure of FePIm in which the Fe …