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Environmental And Energy Saving Technologies Of Vinyl Chloride Production, Mykola Kurta
Environmental And Energy Saving Technologies Of Vinyl Chloride Production, Mykola Kurta
USF Tampa Graduate Theses and Dissertations
Recently, because of the increase of environmental concerns in process design, the need to enhance conversion to product and prevent generation of wasteful byproducts in the reactor network has become urgent. This prevents high cost treatment and separation costs downstream in the process. Therefore, in this thesis I focus on making production of vinyl chloride monomer (VCM) more efficient and on possible ways of industrial organochlorine waste (OCW) recycling. In particular, in the first experiment, we investigate how catalyst and its structure can affect product output.
Infrared spectroscopy and X-ray diffraction analysis were utilized to investigate the structure of the …
A Rheological Examination Of Polymer Composites: Including Functionalized Carbon Nanotubes, Viable Polyurethane Alternates, And Contact Lens Hydrogels, Bernard Knudsen
A Rheological Examination Of Polymer Composites: Including Functionalized Carbon Nanotubes, Viable Polyurethane Alternates, And Contact Lens Hydrogels, Bernard Knudsen
USF Tampa Graduate Theses and Dissertations
From medicine to aerospace, innovation in multiple fields will not occur without addressing current questions that still exist in polymer behavior and manipulation. This dissertation represents the research carried out over the course of three separate experiments using rheometry as the key technique to explore the behavior of polymer composites. In all three studies, polymer composites were investigated for changes to their known physical properties caused through the addition of a filler or functionalization.
Chapter Two examines the possibility of enhancing poly(4-methyl-1-pentene) through the use of soluble carbon nanotubes. In this series of experiments, carbon nanotubes were covalently functionalized using …
The Spectrophotometric Analysis Of Lead Carbonate Complexation And Carbonate Saturation States In Seawater, Regina Anita Easley
The Spectrophotometric Analysis Of Lead Carbonate Complexation And Carbonate Saturation States In Seawater, Regina Anita Easley
USF Tampa Graduate Theses and Dissertations
The carbon dioxide (CO2) system is the primary buffer in seawater which controls oceanic pH. Changes in the marine CO2 system affect a number of processes such as metal speciation, mineral saturation states, auditory responses in fish, and primary productivity rates. Increased atmospheric concentrations of CO2 from human activities (e.g. burning of fossil fuels, deforestation, and cement production) has led to a global decrease in surface ocean pH termed anthropogenic ocean acidification. One particular concern in response to increased oceanic CO2 is a substantial decrease in the calcium carbonate (CaCO3) saturation states, Ω …
A Polarizable And Transferable Carbon Dioxide Potential For Materials Simulation, Ashley Lynn Mullen
A Polarizable And Transferable Carbon Dioxide Potential For Materials Simulation, Ashley Lynn Mullen
USF Tampa Graduate Theses and Dissertations
Intermolecular potential energy functions for CO2 have been developed from first principles for use in heterogeneous systems, including one with explicit polarization. The intermolecular potentials have been expressed in a transferable form and parameterized from nearly exact electronic structure calculations. Models with and without explicit many-body polarization effects, known to be important in simulation of interfacial processes, are constructed. The models have been validated on pressure-density isotherms of bulk CO2 and adsorption in three metal-organic framework (MOF) materials. The present models appear to offer advantages over high quality fluid/liquid state potentials in describing CO2 interactions in interfacial …
Reaction Enthalpy And Volume Profiles For Excited State Reactions Involving Electron Transfer And Proton-Coupled Electron Transfer, William Antonio Maza
Reaction Enthalpy And Volume Profiles For Excited State Reactions Involving Electron Transfer And Proton-Coupled Electron Transfer, William Antonio Maza
USF Tampa Graduate Theses and Dissertations
Electron transfer, ET, and proton-coupled electron transfer, PCET, reactions are central to biological reactions involving catalysis, energy conversion and energy storage. The movement of electrons and protons in either a sequential or concerted manner are coupled in a series of elementary reaction steps in respiration and photosynthesis to harvest and convert energy consumed in foodstuffs or by absorption of light into high energy chemi-cal bonds in the form of ATP. These electron transfer processes may be modulated by conformational dynamics within the protein matrix or at the protein-protein interface, the energetics of which are still not well understood. Photoacoustic calorimetry …
Chiral Phosphoric Acid-Catalyzed Acetalization And Iso-Pictet-Spengler Reactions, Matthew Jon Kaplan
Chiral Phosphoric Acid-Catalyzed Acetalization And Iso-Pictet-Spengler Reactions, Matthew Jon Kaplan
USF Tampa Graduate Theses and Dissertations
The development of novel asymmetric reaction methodologies has been invaluable in both the academic and industrial world. In just 15 years, organocatalysis has provided a new means of developing asymmetric reaction methodologies using catalysts that are environmentally benign, relatively inexpensive, bench stable, and non-toxic. One development in organocatalysis that is important to our group in particular is chiral phosphoric acid-catalysis. BINOL-derived and VAPOL-derived phosphoric acids have proven to be excellent catalysts for a number of reactions.
The two projects I will discuss my efforts on are acetalization and iso-Pictet-Spengler reactions. These were projects that I performed during my first two …
Argumentation As A Lens To Examine Student Discourse In Peer-Led Guided Inquiry For College General Chemistry, Ushiri Kumarihamy Kulatunga
Argumentation As A Lens To Examine Student Discourse In Peer-Led Guided Inquiry For College General Chemistry, Ushiri Kumarihamy Kulatunga
USF Tampa Graduate Theses and Dissertations
This dissertation work entails three related studies on the investigation of Peer-Led Guided Inquiry student discourse in a General Chemistry I course through argumentation. The first study, Argumentation and participation patterns in general chemistry peer-led sessions, is focused on examining arguments and participation patterns in small student groups without peer leader intervention. The findings of this study revealed that students were mostly engaged in co-constructed arguments, that a discrepancy in the participation of the group members existed, and students were able to correct most of the incorrect claims on their own via argumentation.
The second study, Exploration of peer leader …
Development Of Novel Nano-Composite Membranes As Introduction Systems For Mass Spectrometers: Contrasting Nano-Composite Membranes And Conventional Inlet Systems, Luis Miranda
USF Tampa Graduate Theses and Dissertations
This dissertation presents the development of novel nano-composite membranes as introduction systems for mass spectrometers. These nano-composite membranes incorporate anodic aluminum oxide (AAO) membranes as templates that can be used by themselves or modified by a variety of chemical deposition processes. Two types of nano-composite membranes are presented. The first nano-composite membrane has carbon deposited within the pores of an AAO membrane. The second nano-composite membrane is made by coating an AAO membrane with a thin polymer film. The following chapters describe the transmission properties these nano-composite membranes and compare them to conventional mass spectrometry introduction systems. The nano- composite …
Refinement, Application, And Evaluation Of Cognitive And Affective Chemistry Measures For College Students, Keily Heredia
Refinement, Application, And Evaluation Of Cognitive And Affective Chemistry Measures For College Students, Keily Heredia
USF Tampa Graduate Theses and Dissertations
This work describes three case studies conducted to address two major problems in the area of chemistry education research, the lack of reported psychometrics regarding instrument scores, and the need for well-characterized assessments to evaluate college chemistry curricula.
The first case study describes a psychometric evaluation of the Colorado Learning Attitudes about Science Survey (CLASS), an instrument designed to assess student beliefs about the learning of chemistry. Results from this work suggest that the CLASS instrument provides fertile ground for short instruments with reasonable psychometric properties. Responses to a single scale instrument, created from CLASS, showed that students in an …
Synthesis Of Amphiphilic Α- And Γ-Aapeptides For Antimicrobial, Self-Assembly, And Mineralization Studies, Mohamad N. Amin
Synthesis Of Amphiphilic Α- And Γ-Aapeptides For Antimicrobial, Self-Assembly, And Mineralization Studies, Mohamad N. Amin
USF Tampa Graduate Theses and Dissertations
Seven novel, amphiphilic AApeptides were prepared. Two cationic, lipo-α-AApeptides, NA-75 and NA-77 were found to possess potent antimicrobial activity against Gram-positive bacteria, with almost no hemolytic activity. In addition to NA-75 and 77, four amphiphilic, γ-AApeptides, NA-133, 135, 137, and 139, and one anionic lipo-α-AApeptide, NA-81, were prepared for molecular self-assembly studies, with several interesting nanostructures observed by TEM. Mineralization of calcium carbonate from gaseous CO2 and Ca2+ in the presence of the 7 AApeptide amphiphiles was also observed by optical microscopy. Several AApeptides were found to be able to influence CaCO3 crystal morphology. Another α-AApeptide, NA-63, was synthesized by …
Computational Approaches For Structure Based Drug Design And Protein Structure-Function Prediction, Sai Lakshmana Kumar Vankayala
Computational Approaches For Structure Based Drug Design And Protein Structure-Function Prediction, Sai Lakshmana Kumar Vankayala
USF Tampa Graduate Theses and Dissertations
This dissertation thesis consists of a series of chapters that are interwoven by solving interesting biological problems, employing various computational methodologies. These techniques provide meaningful physical insights to promote the scientific fields of interest. Focus of chapter 1 concerns, the importance of computational tools like docking studies in advancing structure based drug design processes. This chapter also addresses the prime concerns like scoring functions, sampling algorithms and flexible docking studies that hamper the docking successes. Information about the different kinds of flexible dockings in terms of accuracy, time limitations and success studies are presented. Later the importance of Induced fit …
Characterizing Interactions Between Chromophores In Synthetic And Natural Macromolecular Films Via Maldi-Tof, Ibf And Dielectric Analyzer, Parul Jain
USF Tampa Graduate Theses and Dissertations
With the emergence of Matrix Assisted Laser Desorption/Ionization-Time-of-flight as a tool for diagnosis of diseases via proteomics, there is an increasing need for greater sensitivity. Analysis of peptides by MALDI-TOF-MS is affected by sample formulation and spotting onto a MALDI target. This dissertation investigates a novel MALDI sample preparation technique, Induction Based Fluidics (IBF), for depositing precise volumes (pL to nL) of samples onto the target. We have seen that while using IBF, the induced electric field accompanying deposition enhances matrix crystallization yielding smaller crystals with more homogeneity, as compared to conventional manual micropipette (MP) depositions. An investigation of the …
Asymmetric Nitrene Transfer Reactions With Azides Via Co(Ii)-Based Metalloradical Catalysis (Mrc), Jingran Tao
Asymmetric Nitrene Transfer Reactions With Azides Via Co(Ii)-Based Metalloradical Catalysis (Mrc), Jingran Tao
USF Tampa Graduate Theses and Dissertations
Asymmetric nitrene transfer reactions via metalloradical catalysis (MRC) with
azides has attracted research interest because of its fundamental and practical importance.
The resulting nitrogen-containing units are recurrent motifs in biologically important
molecules and can serve as versatile precursors in organic synthesis.
The [Co(D2-Por*)] have emerged as a new class of catalysts for asymmetric
aziridination and C-H amination. These metalloradical catalysts have been shown to be
highly effective for the asymmetric intermolecular aziridination of a broad scope of
substrates with different classes of azides with excellent to good enantioselectivity. The
intramolecular C-H amination utilizing various azides can allow for the construction …
Model Pt- And Pd-Based Electrocatalysts For Low Temperature Fuel Cells Applications, Selasi Ofoe Blavo
Model Pt- And Pd-Based Electrocatalysts For Low Temperature Fuel Cells Applications, Selasi Ofoe Blavo
USF Tampa Graduate Theses and Dissertations
In the search for alternative energy technologies, low temperature fuel cells continue to feature as technologies with the most promise for mass commercialization. Among the low temperature fuel cells, alkaline and proton exchange membrane fuel cells are the most popular. Alkaline fuel cells have typically been used for water generation as well as auxiliary power for space shuttles. Their bulkiness however makes them undesirable for other applications, especially in automobiles, where there is a great demand for alternative technologies to internal combustion engines. Proton exchange membrane fuel cells on the other hand possess numerous qualities including their compact size, high …
Virtual Screening For Inhibitors Of Anti-Apoptotic Proteins: Dck, Bcl-Xl, Mcl-1, Mdmx, And Mdm2, Courtney Jerome Du Boulay
Virtual Screening For Inhibitors Of Anti-Apoptotic Proteins: Dck, Bcl-Xl, Mcl-1, Mdmx, And Mdm2, Courtney Jerome Du Boulay
USF Tampa Graduate Theses and Dissertations
←Within this dissertation the topic of virtual screening is discussed with regard to three different cancer targets and also a brief introduction of the tools used in virtual screening. In Chapter 1, the reader will be introduced to virtual screening and the programs that are used in virtual screening. In Chapter 2, the first of three projects are discussed. This project consists of the work that was done to find inhibitors of the P53 binding domain of MDMX. In this project the mobility of residues within the binding site of MDMX are discussed and the ways in which we attempted …
Anti-Parasitic And Anti-Bacterial Agents: Studies On 1,4-Dihydropyridines And 2,4-Diaminoquinazolines, Kurt Steven Van Horn
Anti-Parasitic And Anti-Bacterial Agents: Studies On 1,4-Dihydropyridines And 2,4-Diaminoquinazolines, Kurt Steven Van Horn
USF Tampa Graduate Theses and Dissertations
Thirty-three 1,4-dihydropyridine diastereomeric pairs were synthesized and the structure-activity relationship studied in a Plasmodium falciparum in vitro model. Twenty-nine of these derivatives contained a 6-position oxygen, with 2.31, 2.32, 2.52 and 2.53 having single and double digit nanomolar activities. This SAR study revealed some insightful information about the 1,4-dihydropyridine substitution pattern. Substitution at the 7-position other than 3,4-dimethoxy severely reduced the activity. 4-phenyl substitution with 2- or 4- halo or methyl formed active compounds while substitution at the 3-position or with methoxy or conjugated aryl systems resulted in inactive compounds. The 2-position was found to majorly affect the activity, with …
Optimization, Modification And Application Of Gold Nanoparticles As The Substrates Of Surface Enhanced Raman Spectroscopy, Seongmin Hong
Optimization, Modification And Application Of Gold Nanoparticles As The Substrates Of Surface Enhanced Raman Spectroscopy, Seongmin Hong
USF Tampa Graduate Theses and Dissertations
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Development Of Improved Models For Gas Sorption Simulation, Keith Mclaughlin
Development Of Improved Models For Gas Sorption Simulation, Keith Mclaughlin
USF Tampa Graduate Theses and Dissertations
Computational chemistry offers one the ability to develop a better understanding of the complex physical and chemical interactions that are fundamental to macro- and mesoscopic processes that are seen in laboratory experiments, industrial processes, and ordinary, everyday life. For many systems, the physics of interest occur at the molecular or atomistic levels, and in these cases, computational modeling and two well refined simulation techniques become invaluable: Monte Carlo (MC) and molecular dynamics (MD). In this work, two well established problems were tackled. First, models and potentials for various gas molecules were produced and refined from first principles. These models, although …