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The Impact of Computational Methods on Transition Metal-containing Species
Quantum chemistry methodologies can be used to address a wide variety of chemical problems. Key to the success of quantum chemistry methodologies, however, is the selection of suitable methodologies for specific problems of interest, which often requires significant assessment. To gauge a number of methodologies, the utility of density functionals (BLYP, B97D, TPSS, M06L, PBE0, B3LYP, M06, and TPSSh) in predicting reaction energetics was examined for model studies of C-O bond activation of methoxyethane and methanol. These species provide excellent representative examples of lignin degradation via C-O bond cleavage. PBE0, which performed better than other considered DFT functionals, was used to investigate late 3d (Fe, Co, and Ni), 4d (Ru, Rh, and Pd), and 5d (Re, Os, and Ir) transition metal atom mediated Cβ -O bond activation of the β–O–4 linkage of lignin. Additionally, the impact of the choice of DFT functionals, basis sets, implicit solvation models, and layered quantum chemical methods (i.e., ONIOM, Our Own N-layered Integrated molecular Orbital and molecular Mechanics) was investigated for the prediction of pKa for a set of Ni-group metal hydrides (M = Ni, Pd, and Pt) in acetonitrile. These investigations have provided insight about the utility of a number of theoretical methods in …
Date:
December 2015
Creator:
Wang, Jiaqi
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Impact of Green Design and Technology on Building Environment
Currently, the public has a strong sense of the need for environment protection and the use of sustainable, or “green,” design in buildings and other civil structures. Since green design elements and technologies are different from traditional design, they probably have impacts on the building environment, such as vibration, lighting, noise, temperature, relative humidity, and overall comfort. Determining these impacts of green design on building environments is the primary objective of this study. The Zero Energy Research (ZOE) laboratory, located at the University of North Texas Discovery Park, is analyzed as a case study. Because the ZOE lab is a building that combines various green design elements and energy efficient technologies, such as solar panels, a geothermal heating system, and wind turbines, it provides an ideal case to study. Through field measurements and a questionnaire survey of regular occupants of the ZOE lab, this thesis analyzed and reported: 1) whether green design elements changed the building’s ability to meet common building environmental standards, 2) whether green design elements assisted in Leadership in Energy and Environmental Design (LEED) scoring, and 3) whether green design elements decreased the subjective comfort level of the occupants.
Date:
December 2015
Creator:
Xiong, Liang
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Indigenous Knowledge on the Marshall Islands: a Case for Recognition Justice
Recent decades have marked growing academic and scientific attention to the role of indigenous knowledge in climate change adaptation, mitigation, and detection strategies. However, how indigenous knowledge is incorporated is a point of contention between self-identifying indigenous groups and existing institutions which combat climate change. In this thesis, I argue that the full inclusion of indigenous knowledge is deterred by certain aspects of modernity. In order to overcome the problems of modernity, I argue that a recognition theory of justice is needed as it regards to indigenous knowledge. Recognition justice calls for indigenous groups to retain meaningful control over how and when their indigenous knowledge is shared. To supplement this, I use the Marshall Islands as a case study. The Marshall Islands afford a nice particular case because of their longstanding colonial relationship with the United States and the impending danger they face of rising sea levels. Despite this danger, the Republic of the Marshall Islands calls for increased recognition as leaders in addressing climate change.
Date:
December 2015
Creator:
Gessas, Jeff
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Indirect Fabrication of Lattice Metals with Thin Sections Using Centrifugal Casting
There is a wide range of applications for 3D printing technology with an additive manufacturing such as aerospace, automotive, marine and oil/gas, medical, consumer, electronics, building construction, and many others. There have been many pros and cons for 3D additive manufacturing. Even though 3D printing technology has many advantages: freedom to design and innovate without penalties, rapid iteration through design permutations, excellence mass customization, elimination of tolling, green manufacturing, minimal material wastes, energy efficiency, an enablement of personalized manufacturing. 3D additive manufacturing still has many disadvantages: unexpected pre- and post-processing requirement, high-end manufacturing, low speed for mass production, high thermal residual stress, and poor surface finish and dimensional accuracy, and many others. Especially, the issues for 3D additive manufacturing are on high cost for process and equipment for high-end manufacturing, low speed for mass production, high thermal residual stress, and poor surface finish and dimensional accuracy. In particular, it is relatively challenging to produce casting products with lattice or honeycomb shapes having sophisticated geometries. In spite of the scalable potential of periodic cellular metals to structural applications, the manufacturing methods of I∙AM Casting have been not actively explored nor fully understood. A few qualitative studies of I∙AM Casting has been …
Date:
December 2015
Creator:
Mun, Jiwon
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
The Influence of Local Forage Variability on White-tailed Deer (Odocoileus virginianus) Body Size at Fort Hood, Texas
Nutritional quality and availability is thought to regulate geographic patterns of variability in animal body size due to phenotypic plasticity. The purpose of this study is to determine how vegetation quality, abundance and population density influence white-tailed deer (Odocoileus virginianus) body size on a subregional spatial scale at Fort Hood, Texas. Harvest and census records are used to test the hypothesis that white-tailed deer exhibit phenotypic plasticity (e.g. larger body size) in response to differences in vegetation quality and availability. Results from these analyses suggest that forage quality and abundance alone is not a main driver of white-tailed deer body size. Analysis of deer population density (generally) resulted in an inverse relationship with body size. Areas with high quality forage and low population density support larger deer while areas with low quality forage and high density support smaller than average deer. The few exceptions occur in areas exhibiting poor quality forage and low population density or high forage quality and high density. Results from this study suggest that continued overcrowding of deer within isolated areas may eventually lead to efficiency phenotypic conditions producing smaller sized deer. These results could prove useful in interpreting deer population responses to harvest management. For …
Date:
December 2015
Creator:
Eddins, Amy C.
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Influence of the Choice of Disease Mapping Method on Population Characteristics in Areas of High Disease Burdens
Disease maps are powerful tools for depicting spatial variations in disease risk and its underlying drivers. However, producing effective disease maps requires careful consideration of the statistical and spatial properties of the disease data. In fact, the choice of mapping method influences the resulting spatial pattern of the disease, as well as the understanding of its underlying population characteristics. New developments in mapping methods and software in addition to continuing improvements in data quality and quantity are requiring map-makers to make a multitude of decisions before a map of disease burdens can be created. The impact of such decisions on a map, including the choice of appropriate mapping method, not been addressed adequately in the literature. This research demonstrates how choice of mapping method and associated parameters influence the spatial pattern of disease. We use four different disease-mapping methods – unsmoothed choropleth maps, smoothed choropleth maps produced using the headbanging method, smoothed kernel density maps, and smoothed choropleth maps produced using spatial empirical Bayes methods and 5-years of zip code level HIV incidence (2007- 2011) data from Dallas and Tarrant Counties, Texas. For each map, the leading population characteristics and their relative importance with regards to HIV incidence is identified …
Date:
December 2015
Creator:
Desai, Khyati Sanket
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Information for Parents of Newborns
A pamphlet from Texas Health and Human Services about newborns.
Date:
December 2015
Creator:
Texas. Department of State Health Services.
Object Type:
Book
System:
The Portal to Texas History
An Initial Study of Binary and Ternary Ti-based Alloys Manufactured Using Laser Engineered Net Shaping (LENSTM)
In this study an initial assessment of the composition – microstructure – property relationships in binary and ternary Ti – based systems are made possible using LENSTM technology. Laser Engineering Net Shaping (LENSTM), a rapid prototyping, directed laser deposition methodology of additive manufacturing (AM) was used to create bulk homogenous specimens that are compositionally graded. Compositionally graded specimens were made possible by incorporating elemental blends of powder during the LENSTM process. While there have been numerous studies assessing the influence of common elements (e.g., V, Mo, Al, and Cr) on the resulting microstructure in titanium alloys, other elements have been neglected. A systematic study of the Ti – Fe – Al ternary system based upon varying compositions of the eutectoid former, Fe with Al to stabilize the a and b phases respectively has also been neglected. This research effort focuses on exploiting the LENSTM process by rapidly assessing the composition – microstructure – property relationships in a combinatorial approach for the Ti – W, Ti – Fe, and Ti – Fe – Al systems. Compositionally graded specimens of Ti – xW (0<x<40wt.%(14.79at.%)), Ti – xFe (0<x<35wt.%(36.37at.%)), and Ti – xFe – yAl (0<x<40wt.%(36.37at.%)), y=5,10, 15wt.%) have been heat treated to …
Date:
December 2015
Creator:
Gray, Alyn M.
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Inmate Monthly Report: November 2015, [Part 1]
Monthly report issued by the Texas Department of Criminal Justice providing statistical information about numbers and categories of inmates held in various locations across Texas.
Date:
December 2015
Creator:
Texas. Department of Criminal Justice.
Object Type:
Report
System:
The Portal to Texas History
Ion exchanger in the brain: Quantitative analysis of perineuronally fixed anionic binding sites suggests diffusion barriers with ion sorting properties
This article proposes that fixed charge-densities in the brain are involved in regulating ion mobility, the volume fraction of extracellular space and the viscosity of matrix components.
Date:
December 1, 2015
Creator:
Morawski, Markus; Reinert, Tilo; Meyer-Klaucke, Wolfram; Wagner, Friedrich E.; Tröger, Wolfgang; Reinert, Anja et al.
Object Type:
Article
System:
The UNT Digital Library
The Laureates’ Lens: Exposing the Development of Literary History and Literary Criticism From Beneath the Dunce Cap
In this project, I examine the impact of early literary criticism, early literary history, and the history of knowledge on the perception of the laureateship as it was formulated at specific moments in the eighteenth century. Instead of accepting the assessments of Pope and Johnson, I reconstruct the contemporary impact of laureate writings and the writing that fashioned the view of the laureates we have inherited. I use an array of primary documents (from letters and journal entries to poems and non-fiction prose) to analyze the way the laureateship as a literary identity was constructed in several key moments: the debate over hack literature in the pamphlet wars surrounding Elkanah Settle’s The Empress of Morocco (1673), the defense of Colley Cibber and his subsequent attempt to use his expertise of theater in An Apology for the Life of Colley Cibber (1740), the consolidation of hack literature and state-sponsored poetry with the crowning of Colley Cibber as the King of the Dunces in Pope’s The Dunciad in Four Books (1742), the fashioning of Thomas Gray and William Mason as laureate rejecters in Mason’s Memoirs of the Life and Writings of William Whitehead (1788), Southey’s progressive work to abolish laureate task writing …
Date:
December 2015
Creator:
Moore, Lindsay Emory
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Legal Authority for Aliens to Claim Refundable Tax Credits: In Brief
None
Date:
December 1, 2015
Creator:
unknown
Object Type:
Report
System:
The UNT Digital Library
Let Her Be Shorn: 1 Corinthians 11 and Female Head Shaving in Antiquity
In 1 Corinthians 11:3-15, Paul writes that if a woman is to be so immodest as to wear her hair uncovered while praying or prophesying in a Christian assembly she might as well shave her head. Paul instructs the Corinthians that it is “one and the same” for a woman to have her head shaved and for her to unveil her hair. There is a large body of works cataloging the modesty standards in Hellenistic Greece but Paul’s reference to head-shaving remains obscure. This thesis looks to find the best explanation of Paul’s instructions. Research in this topic began as an investigation of a popular modern view. It can be found in conversation or a simple Google search, that women in Ancient Greece with their head shaved were prostitutes. Beyond being prostitutes, they were probably temple prostitutes. The evidence does not bear this out as there is no artwork depicting prostitutes, or indeed any women, with their heads shaved. Instead prostitutes are shown in Greek erotic art with both long and short hair, some with and some without head coverings. Literary sources do offer several different examples of women who had their hair cut off. There are examples of women …
Date:
December 2015
Creator:
Montier, Curtis E.
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
The Light and Champion (Center, Tex.), Vol. 138, No. 96, Ed. 1 Tuesday, December 1, 2015
Semiweekly newspaper from Center, Texas that includes local, state, and national news along with advertising.
Date:
December 1, 2015
Creator:
Snyder, Steve
Object Type:
Newspaper
System:
The Portal to Texas History
The Limits of Arbitrage and Stock Mispricing: Evidence from Decomposing the Market to Book Ratio
The purpose of this paper is to investigate the effect of the "limits of arbitrage" on securities mispricing. Specifically, I investigate the effect of the availability of substitutes and financial constraints on stock mispricing. In addition, this study investigates the difference in the limits of arbitrage, in the sense that it will lead to lower mispricing for these stocks, relative to non-S&P 500 stocks. I also examine if the lower mispricing can be attributed to their lower limits of arbitrage. Modern finance theory and efficient market hypothesis suggest that security prices, at equilibrium, should reflect their fundamental value. If the market price deviates from the intrinsic value, then a risk-free profit opportunity has emerged and arbitrageurs will eliminate mispricing and equilibrium is restored. This arbitrage process is characterized by large number of arbitrageurs which have infinite access to capital. However, a better description of reality is that there are few numbers of arbitrageurs to the extent that they are highly specialized; and they have limited access to capital. Under these condition arbitrage is no more a risk-free activity and can be limited by several factors such as arbitrage risk and transaction costs. Other factors that are discussed in the literature …
Date:
December 2015
Creator:
AlShammasi, Naji Mohammad
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
The Lobbying Disclosure Act at 20: Analysis and Issues for Congress
This report provides an retrospective and prospective analysis of the LDA on its 20th anniversary, using research conducted and data collected by the Bush School of Government and Public Service at Texas A&M capstone class over the 2014-2015 academic year.
Date:
December 1, 2015
Creator:
Straus, Jacob R.
Object Type:
Report
System:
The UNT Digital Library
Lone Star Insanity: Efforts to Treat the Mentally Ill in Texas, 1861-1929
During the mid-nineteenth century, the citizens of Texas were forced to keep their mentally disturbed family members at home which caused stress on the caregivers and the further debilitation of the afflicted. To remedy this situation, mental health experts and Texas politicians began to create a system of healing known as state asylums. The purpose of this study is to determine how Texas mental health care came into being, the research and theories behind the prevention and treatment programs that asylum physicians employed to overcome mental illness, in addition to the victories and shortcomings of the system. Through this work, it will be shown that during the 1850s until the 1920s institutions faced difficulty in achieving success from many adverse conditions including, but not limited to, overcrowding, large geographical conditions, poor health practices, faulty construction, insufficient funding, ineffective prevention and treatment methods, disorganization, cases of patient abuse, incompetent employees, prejudice, and legal improprieties. As a result, by 1930, these asylums were merely places to detain the mentally ill in order to rid them from society. This thesis will also confirm that while both Texas politicians and mental health experts desired to address and overcome mental illness in Texas, they were …
Date:
December 2015
Creator:
Boyd, Dalton T.
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Longitudinal Prevalence of Disordered Eating and Weight Control Behaviors in Female Collegiate Athletes
Female collegiate athletes have been established as a high-risk group for the development of eating disorders due to the high prevalence rates of clinical and subclinical eating disorders, which have ranged from 1.9% to 16.6% and 4.0% to 26.1%, respectively. Collegiate athletes appear to meet criteria for ED-NOS more often than anorexia or bulimia nervosa, and frequently engage in pathogenic weight control behaviors (e.g., dieting, excessive exercise). To date, only a few studies have examined the long-term stability of eating disorders in collegiate female athletes. The current study investigated the prevalence of eating disorders (i.e., eating disordered, symptomatic, and asymptomatic) and pathogenic weight control behaviors (e.g, binging, vomiting, laxative use) in 325 NCAA-DI female collegiate gymnasts and swimmers/divers across two time points – the beginning of their competitive seasons (Time 1) and during the final two weeks of their competitive seasons (Time 2). By Time 2, 90% of the athletes classified as eating disordered at Time 1 (n = 20) maintained clinical or subclinical eating disturbances. Of the 83 athletes originally symptomatic, 37.3% remained so and 10.8% became eating disordered. Significantly more athletes became satisfied with their bodies over the course of the season than became dissatisfied. The athletes reported …
Date:
December 2015
Creator:
Thompson, Alexandra J.
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Macrobenthos Monitoring In Mid-Coastal Estuaries
Report detailing the importance of freshwater inflow in maintaining productivity and health in estuaries.
Date:
December 2015
Creator:
Montagna, Paul A.
Object Type:
Report
System:
The Portal to Texas History
Main Street Matters, December 2015
Newsletter issued by the Texas Main Street Program discussing news, events, and other information related to the program as well as featuring designated participating communities and providing technical advice regarding conservation and restoration.
Date:
December 2015
Creator:
Texas Historical Commission
Object Type:
Journal/Magazine/Newsletter
System:
The Portal to Texas History
Manuel Esquiva Un Lío Al Comprar Un Carro: Una Fotonovela de la Comisión Federal de Comercio
"This fotonovela is part of the Federal Trade Commission's ongoing efforts to raise awareness about scams targeting the Latino community. The story offers information about avoiding a car-buying jam" (back cover).
Date:
December 2015
Creator:
United States. Federal Trade Commission.
Object Type:
Pamphlet
System:
The UNT Digital Library
Measuring Culture of Innovation: A Validation Study of the Innovation Quotient Instrument
The ability for an organization to innovate has become one of the most important capabilities needed in the new knowledge economy. The research has demonstrated that an organization’s culture of innovation in particular predicts organizational innovativeness across multiple industries. To provide support to these organizations in their abilities to understand the culture of innovation, researchers have developed instruments to measure culture of innovation, and while many of these instruments have been widely used to inform organizational opportunities for improvement, few of these instruments have been validated or replicated beyond their initial use. The current study employs multiple factor analytic methods to validate the factor structure of the Innovation Quotient instrument developed by Rao and Weintraub and assess the extent to which the instrument is reliable for multiple organizational groups. The results of this study, as well as implications for researchers interested in culture of innovation, are presented.
Date:
December 2015
Creator:
Danks, Shelby
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Megachurches and Economic Development: A Theoretical Understanding of Church Involvement at the Local Level
Why do megachurches participate in economic development, and who benefits from their participation? Frumkin's framework for understanding nonprofit and voluntary action and extra-role behavior are theories tested to answer these questions. My research employs a mixed-methods research design conducted in two phases. In phase one, I analyze 42 responses to an online survey to provide data about the prevalence and nature of economic development activities offered by megachurches in the Dallas-Fort Worth and Houston-Sugar Land-Baytown Metropolitan Statistical Areas. Phase two involved 23 semi-structured telephone interviews with megachurch leadership to provide data that explains the rationale for why megachurches offer economic development activities and who benefits. Evidence from this research demonstrates that megachurches are participating in economic development for reasons consistent with both demand-side and supply-side arguments. Findings also show that megachurches take on extra-role behaviors for in response to community expectations and the values of members and staff. Implications for understanding partnership decisions and collaborations between faith-based organizations and local governments are discussed.
Date:
December 2015
Creator:
English, Ashley E.
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Messiaen’s Musical Language: Technique and Theological Symbolism in Les Corps Glorieux, “Combat De La Mort Et De La Vie”
One of the most important ways to understand Olivier Messiaen’s musical language is through the lens of the theological ideas that many of his works convey. He considers expressing his Christian faith to be the primary purpose in his music. Through his idiosyncratic technique, Messiaen gives power and life to his religious music that he combines with his interest in literature, musical analysis, poetic imagery and symbolism, his love for theatre, and his compositional and organ abilities. The abundant studies of Messiaen’s works deal with the intricacies of his musical language, yet most of these studies barely discuss his theological ideas. Nevertheless, technical analysis of his music poses immense challenges, especially in the domains of melody and harmony. Although my approach is unconventional and do not follow any existing system, I base my technical and theological analyses mainly from Messiaen's technique, his commentaries and his references to the Scriptures. The “Combat de la mort et de la vie” is the heart of Les Corps glorieux in both technical and theological aspects. It is an intricate musical artwork where Messiaen demonstrates his melodic and harmonic developments using his idiosyncratic language, and through symbolism portrays the most complex of all drama according …
Date:
December 2015
Creator:
Dellosa, Lerie Grace
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library