Digital Commons Network^™

Argumentation And Debate In The High School Chemistry Classroom, Rachel Blais

Honors Projects

The primary focus of this study was to determine the implications of argumentation and debate in a high school chemistry classroom through the process of argument driven inquiry. Findings from a pre and post questionnaire and student reflections suggested that argument driven inquiry helped students with their critical thinking, interpersonal, and argumentative skills.

Stereospecific Cross-Coupling Reactions Of Enantioenriched Secondary Alkyltricyclohexyltin Nucleophiles, Meruyert Binayeva

Dissertations, Theses, and Capstone Projects

Transition metal-catalyzed cross-coupling reactions have evolved into a remarkable instrument for the formation of new bonds, and have significantly impacted how we approach to access complex organic molecules. Palladium is currently one of the most popular elements for catalytic applications due to its ability to facilitate powerful carbon-carbon and carbon-heteroatom couplings. Traditional Pd-catalyzed cross-coupling reactions have primarily concentrated on C(sp2)-C(sp2) cross-couplings, yielding planar products. Considering the use of C(sp3) nucleophiles would offer a viable control of the three dimensional arrangement in molecules. Herein, the first chapter details the history and development of Pd-catalyzed Stille cross-coupling reactions. The use of configurationally …

Elucidating The Pd Active Sites Of Bimetallic Gold-Palladium Catalysts Using Chemisorption And Titration Techniques, Andrew T. Boucher

Electronic Theses and Dissertations

A bimetallic nanoparticle catalyst combines two different metals on an oxide support, which can increase the selectivity towards useful products that may be too tightly bound to a monometallic catalyst. To explore the surface properties of such a system, we made a group of four PdAu bimetallic catalysts with varying gold mass loadings to compare with a parent Pd catalyst. The parent catalyst was synthesized using ion exchange, and gold was added to this parent Pd catalyst using incipient wetness impregnation (IWI) to create four bimetallic catalysts. All catalysts were characterized using H₂ and CO chemisorption in tandem with …

Addressing Learning Gaps In Acid-Base Chemistry Using Novel Three-Dimensional Models With Learning Module, Gabrielle Marie Grimes

Theses and Dissertations

Teaching scientific concepts is very complex and includes the discussion and use of different models that support students’ understanding of particle-level interactions and behavior of chemical phenomena. The presented research describes the development of three-dimensional acid-base models and an accompanying learning module to support students’ understanding of the autoionization of water, acidic strength, pH, and Ka in aqueous acid-base chemistry. The model set includes acid and base models embedded with magnets and removable hydrogen atoms or hydroxide groups to model particle-level interactions. The magnetic models allow students to investigate particle-level processes with student-built models of aqueous acid and base systems. …

Studying The Stability Of Collagen/Heparin Coatings To Be Used In Cell Therapy Applications, Gavin Mussino

Biological Sciences Undergraduate Honors Theses

This honors thesis aims to investigate the reusability and performance of cell coatings for cell therapy applications. Cell therapy, which involves the use of human cells to repair or replace damaged tissues, holds immense potential for medical advancements. However, ensuring the survival and functionality of transplanted cells remains a significant challenge. We focused on studying the effectiveness of coatings applied to cells for improved cell growth and viability. The research project involved the preparation of the coatings using a layer-by-layer method and the subsequent seeding of cells. The coated cells were then subjected to a series of experiments to assess …

Leveraging Non-Covalent Interactions Between Small Organic Molecules And Inorganic Scaffolds In The Design Of Advanced Materials, Jonathan Lefton

Chemistry Theses and Dissertations

Powder diffraction is a powerful tool for studying crystal structures, especially as it relates to interactions of small organic molecules with inorganic compounds. The first part of this dissertation involves small organic ligands interacting with metal-organic framework, MOF-74. The first and simplest iteration involves the crystal structure solution of a neat, liquid loading of n-propylmercaptan to the open metal sites within the MOF-74 pores. Later studies investigate the leveraging of a similarly sized bitopic ligand in the solution loading of 1,2-ethanedithiol, which results in the amorphization of MOF-74. Having no crystallinity, amorphous or severely defected materials can be a …

The Investigation Of Singlet Fission From The Perspective Of Hierarchy Of Pure States (Hops), Tao (James) Chen

Chemistry Theses and Dissertations

This thesis provides a preliminary investigation of singlet fission from the perspective of Hierarchy of pure states (HOPS), which provides a numerical exact solution for the investigation of a series of open quantum systems. Since the inception of the concept of singlet fission about half a century ago, this photo-physical process has attracted the attention of a multitude of researchers and has been extensively studied theoretically and experimentally. However, these previous methods for the investigation of singlet fission focus more or less on tackling the underlying mechanisms of singlet fission from the perspective of perturbation. So far, the HOPS method …

The Investigation Of Singlet Fission From The Perspective Of Hierarchy Of Pure States (Hops), Tao (James) Chen

Chemistry Theses and Dissertations

This thesis provides a preliminary investigation of singlet fission from the perspective of Hierarchy of pure states (HOPS), which provides a numerical exact solution for the investigation of a series of open quantum systems. Since the inception of the concept of singlet fission about half a century ago, this photo-physical process has attracted the attention of a multitude of researchers and has been extensively studied theoretically and experimentally. However, these previous methods for the investigation of singlet fission focus more or less on tackling the underlying mechanisms of singlet fission from the perspective of perturbation. So far, the HOPS method …

Implementation And Assessment Of A Course-Based Undergraduate Research Experience (Cure) In General Chemistry, Alissa Potts

College of Science and Health Theses and Dissertations

Course-based undergraduate research experiences (CUREs) are growing in popularity in the chemistry community to replace traditional laboratory courses. This approach creates a research experience for a larger number of students than traditional research mentorship experiences offered at universities. CUREs can help students take ownership of projects, learn to design and troubleshoot experimental setups, problem-solve experiments that don’t have a “known answer”, and gain confidence in the laboratory. To assess the effectiveness of a general chemistry laboratory-based CURE course with DePaul students, the Experimental Design Ability Test (EDAT) and the Meaningful Learning in the Laboratory Instrument (MLLI) survey were given to …

New Methods For Core-Hole Spectroscopy Based On Coupled Cluster Theory, Megan Simons

Chemistry Theses and Dissertations

X-ray absorption spectra (XAS) is a method used to investigate atomic local structure and electronic states. Coupled cluster method is a numerical method used for describing many-body systems and electron correlation in a wavefunction. When equation-of-motion coupled cluster is used in XAS calculations, the ground state is applied to the excitation operator, which excites or ionizes the electron. This causes a large orbital relaxation error, normally ~5 eV, which leads to the need for triple excitations in order to obtain accurate results.

This dissertation introduces a coupled cluster method that uses "transition potential" reference orbitals to reduce the orbital relaxation …

Protein Dynamics In Allostery And Computer-Aided Drug Design, Mayar Mohamed

Chemistry Theses and Dissertations

Molecular dynamics (MD) simulation is a powerful and versatile computational tool, that can be used in a wide range of applications from studying complex biological processes such as allostery to investigating the process of the protein-ligand binding in different computer-aided drug design implementations. In this work, various structural and drug discovery projects were performed by combining the state-of-art techniques molecular dynamics simulations, virtual screening, and binding free energy calculations with the innovative Markov State Model analysis and the machine learning techniques.

In the first project, the role of A’a helix as a key player in the transition between the light …

The Novel Chlorination Of Zirconium Metal And Its Application To A Recycling Protocol For Zircaloy Cladding From Spent Nuclear Fuel Rods, Breanna K. Vestal

Doctoral Dissertations

A novel protocol has been developed for the chemical removal of zirconium alloy (Zircaloy) cladding from spent nuclear fuel rods and subsequent isolation and purification of nuclear-grade zirconium chloride derived therefrom. This protocol is based on the chemistry developed from two new scientific findings.

First, two new oxidative chlorination reactions have been discovered for zirconium metal. In both solvents, zirconium can be quantitatively chlorinated at temperatures less than 150°C, with the operative equations seen below. In sulfur monochloride, the reaction is completed in 2 – 4 hours via surface etching, exhibiting 0^th order kinetic behavior. The elemental sulfur byproduct …

Understanding The Relationship Between Organic Chemistry Misconceptions And Students’ Chemistry Self-Efficacy In Higher Education Organic Chemistry Courses, Lauren A. Dudley

Education (PhD) Dissertations

Organic chemistry is accepted as a crucial part of science higher education funneling students into many career opportunities such as pharmaceuticals, biotechnology, and medical industries. Students attempting organic chemistry courses in higher education are among a plethora of majors including biology, chemistry, health science, and engineering. However, organic chemistry as a course has stayed fairly stagnant for the past 50 years. Students in this course typically resort to rote-memorization and often regard the course itself as insurmountable. To answer the decreasing retention rates seen across the United States, the research revolving around organic chemistry knowledge and teaching methodologies has increased …

Double-Stranded Rna Binding Motifs And Recognition Of Rna-Editing Substrates, Amol Singh Kular

Undergraduate Honors Thesis Collection

RNA editing, the changing of a nucleotide sequence from that encoded by the gene, can both diversify and re code the genome. Adenosine deaminases that act on RNA (ADARs) are one class of enzymes that edit RNA by causing adenosine to inosine (functionally similar to guanine) mutations in RNA that is largely double stranded. These mutations are essential to neural receptor activity, and have been linked to clinical depression, schizophrenia, epileptic seizures, and amyotrophic lateral sclerosis. The ADAR enzyme consists of a catalytic domain, whose structure has been previously determined, as well as one or more double stranded RNA binding …

Synthesis And Characterization Of Rhenium 2,2′-Pyridylnaphthyridine Metal Complexes, Benjamin F. Solomon

Honors Theses

Rhenium (Re) is a group 7 heavy 5d transition metal in the same family as manganese (Mn) and technetium (Tc). Re-carbonyl complexes are known to be catalysts for many different kinds of reactions from C-C bond formation to reduction reactions like CO₂ reduction (CO₂RR)^1,2. With this in mind, we have prepared a set of six Re-carbonyl complexes of 2,2′-pyridyl-1,6-naphthyridine (1,6- pynap) and 2,2′-pyridyl-1,8-naphthyridine (1,8-pynap), a redox non-innocent ligand containing a bpy moiety as well as an additional aryl nitrogen binding location at which another metal-ligand bond could form. We have synthesized these complexes as precursors …

Microscale Chemical Manipulation And Imaging Using Photoactive Molecules And Light, Uroob Haris

Chemistry Theses and Dissertations

Chemical manipulation with light has been an active and growing area of research with important implications in materials science, biotechnology, and environmental science. From early investigations of light sensitive materials for photography in the 19^th century, to printing billions of transistors on a semiconductor chip in present day, scientists have gained a deep understanding of photochemistry and the processes that allow us to harness light for everyday applications. In this work, we explore microscale fabrication and molecular imaging using light and photoactive molecules as foundational tools. We develop a visible-light mediated technique for high resolution microscale chemical lithography comprising …

Exploring Protein Conformations And Functions Through Molecular Dynamics Simulations And Machine Learning, Hao Tian

Chemistry Theses and Dissertations

Proteins are essential biomacromolecules that perform a variety of critical functions in living organisms. The tertiary structure of a protein plays a crucial role in its biological activity as it determines how the protein interacts with other molecules. Consequently, understanding protein conformation and function is an important area of research with implications in medicine, biotechnology, and other fields.

The first part of this dissertation focuses on protein allostery, a process by which proteins transmit perturbations caused by binding at one site to a distal site, thereby regulating activity. With the development of computational methods like molecular dynamics simulations and machine …

Modeling Excited State Processes In Molecular Aggregates By Constructing An Adaptive Basis For The Hierarchy Of Pure States, Leonel Varvelo

Chemistry Theses and Dissertations

Simulating excitation energy transfer (EET) in molecular materials is of crucial importance for the development of and understanding of materials such as organic photovoltaics and photosynthetic systems and further development of novel materials. The Hierarchy of Pure States (HOPS) is an exact framework for the time evolution of an open quantum system in which a hierarchy of stochastic wave functions are propagated in time. The adaptive HOPS (adHOPS) method achieves size-invariant scaling with the number of simulated molecules for sufficiently large aggregates by using an adaptive basis that moves with the excitation through the material. To demonstrate the power of …

“So, The World Isn’T Just Old White Guys?”: Student And Teacher Experiences In A Culturally Relevant Advanced Placement Chemistry Class, James Thomas Sox

Theses and Dissertations

This action research case study explores the impact of a culturally and socially diverse Advanced Placement Chemistry curriculum on student and teacher experiences. This study emerged due to my lack of multicultural teaching practices, which limited meaningful connections for students of diverse backgrounds. Once aware of this deficiency, I created four thematic units that blended chemistry content with aspects of culturally relevant pedagogy and social reconstructionism. Surveys, reflection logs, observations, and a focus group interview captured data related to student and teacher experiences throughout the intervention period, which suggest the culturally relevant pedagogy supported students’ understanding of content, increased student …

Beeswax Wraps As An Alternative To Single-Use Plastics, Sarah Skiver

Williams Honors College, Honors Research Projects

The project goal was to compare the food storage efficacy of sustainable beeswax wraps verses the single-use plastic methods of resealable plastic sandwich bags and plastic cling wrap. The goal was also to test the reusability of the beeswax wraps, as it is a key advantage of beeswax wraps that is advertised. The project purpose was to explore sustainable and eco-friendly alternatives to single use plastics, which are harmful to the environment in both their production and their disposal. Food spoilage was compared in beeswax wrap, plastic sandwich bags, and plastic cling wrap, and spoilage was also observed in a …

Acetylacetone Oxidation At Room Temperature: A Multiplexed Photoionization Mass Spectrometric Investigation, Study Of The Russell Intermediates In Gas Phase Reactions, And The Investigation Of Oxidation Reaction Products Of Ethanol At Room Temperature, Sara Gallarati

Master's Theses

This thesis presents the combustion study of acetyl acetone using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at 298 K. The experiments were performed at the Chemical Dynamics Beamline 9.0.2 at the Advanced Light Source of the Lawrence Berkeley National Laboratory. The reaction of acetyl acetone with chlorine (Cl) radicals was analyzed based on their photoionization spectra and reaction kinetic profiles.

Additionally, a study of the Russell intermediate has been performed. Previous to experimentation at the Advanced Light Source, computational analysis has been investigated to evaluate compounds that could possibly lead to the formation of a stable species. The …

The Chemistry And Catalytic Activity Of Dehydrogenative Silylation And Hydroboration Of Complexes Bearing Semirigid Ligands With Group 14 Elements, Niroshani S. Abeynayake

Theses and Dissertations

Incorporation of silicon in the ligand backbone would yield electron-rich metal complexes upon coordination to transition metal complexes. The coordination chemistry of semirigid benzyl phosphines bearing a single or multiple phosphorus atoms and varying number of Si−H moieties has gained interest in recent years. This dissertation focuses on synthesizing silyl and germyl transition metal complexes of groups 9 and 10. Chapter II presents the synthesis of a family of four coordinated 14-electron rhodium complexes. The newly synthesized complexes were characterized in solution by multinuclear NMR spectroscopy and in the solid-state by single-crystal X-ray diffraction. These d⁶ complexes possess sawhorse …

Synthesis Of Cyclopropyl Fluorescein Esters For Biochemical Assay, Gabriella Pilar Ruiz

Undergraduate Honors Thesis Collection

Fluorescent molecules have recently been used to observe and quantify biochemical processes. Within the last ten years, these molecules have been used to study serine hydrolases to learn more about how each one functions and what type of chemical groups they prefer. The data from the research on the BS2 serine hydrolase has revealed that there is a need to look further into the fluorogenic ester substrates that contain a cyclopropyl ring after data showed a strong preference to these substrates. This research project focused on the synthesis of fluorogenic cyclopropyl esters in preparation for biochemical assays. The synthesis was …

Soil From Footwear Is A Newly Rediscovered Type Of Forensic Evidence Due To The Application Of Modern Analytical Techniques : A Review, Rhilynn Haley Ogilvie

Legacy Theses & Dissertations (2009 - 2024)

Traces of soil discovered on a footwear were historically among the first types of evidence used by crime scene investigators. This type of evidence has been rediscovered recently due to the application of powerful analytical techniques providing quantitative characteristics of the soil (bio)chemical composition. Advanced statistical analysis of the quantitative data further improves the probative value of the soil evidence. The article overview main aspects of the emerging techniques for the forensic soil analysis and the factors that challenge data interpretation including mixing, contamination, and composition complexity. Overcoming these issues is crucial for utilizing soil analysis for forensic purposes.

Synthesis Of Trifluoromethyl Ketones By (Diethylamino) Sulfur Trifluoride (Dast)-Mediated Nucleophilic Trifluoromethylation Of Benzoic Acids, Michael A. Vescio

Honors College Theses

Within the past few decades, the presence of fluorine containing

organic molecules has increased significantly. Many of the

current industrial production methods are not cost-effective,

practical, or inherently safe. This work describes a new methodology

for the synthesis of trifluoromethyl ketones. Our new method involves

the use of benzoic acid and trifluoromethyl trimethylsilane (TMSCF₃) as starting

materials along with diethylamino sulfur trifluoride (DAST) as a reagent

to obtain moderate to good yields of expected products in a short

reaction times.

Expanding The Polymer Zwitterion Library – Novel Phosphonium-Based Polymer Zwitterions And Analogous Structures, Marcel U. Brown

Doctoral Dissertations

This dissertation encompasses the synthesis, characterization and application of novel polymer zwitterions that significantly expand the library of available zwitterionic polymers. Their facile synthesis is facilitated by the preparation of a novel functional sultone precursor molecule, which can be ring-opened by commercially available phosphine, amine and sulfide nucleophiles, affording phosphonium, ammonium or sulfonium sulfonate monomers, respectively. Most notably, this work describes the invention of phosphonium-based polymer zwitterions, establishing a new class of zwitterionic polymer structures with unique solution and interfacial properties. Furthermore, the incorporation of these phosphonium sulfonates into block copolymer architectures with conventional polymer zwitterions, and the resulting switchable …

Sulfur Behavior In The 1257 Ce Samalas Magma (Lombok, Indonesia) As Revealed By Volcanic Apatite, Yasmin Jackson

Earth Sciences Theses and Dissertations

Explosive volcanic eruptions can inject massive amounts of volatiles, including SO₂ and H₂S, into the stratosphere, inducing drastic tropospheric cooling via sulfate aerosols. Greenland and Antarctic ice cores record evidence of these substantial releases of SO₂ and H₂S, including the massive release during the ultraplinian 1257 CE Samalas eruption. The 1257 CE Samalas eruption is estimated to have released ~158 Tg of SO₂, making it the largest volcanogenic release of SO₂ within the last 2000 years. Vidal et al. (2016) propose that most of this sulfur (S) was hosted in a …

The Kinetics And Cellular Imaging Of Multi-Color Fluorescent And Chemiluminescent Compounds, Bo Li

Chemistry Theses and Dissertations

A three-dimensional display is a useful method which can provide spatially accurate representations of high-resolution images with a 360^° view. Therefore, it has potential to be applied widely in the medical area, entertainment industry and for military applications. According to the first-generation 3D digital light photoactivatable dye display (3D Light PAD), N-phenyl spirolactam rhodamine B was used as photoactivatable compound that could be switched from non-fluorescent to fluorescent using ultraviolet light. However, the detailed mechanism, how other rhodamine derivatives would perform in 3D Light PAD, and what other factors in this system could improve the imaging quality remained unclear. …

Investigating Hops Production In Arkansas To Support Specialty Crop Growth, James Oliver Mcclellan

Graduate Theses and Dissertations

The hop plant (Humulus lupulus L.) is a perennial, climbing species within the Cannabaceae family that produces cones used for brewing. Hops are grown worldwide. In the United States most hops production occurs in the Pacific Northwest, but growth in the craft beer industry is driving efforts for hops production in other U.S. regions. Recommendations on hops cultivar suitability, fertility, and management are needed for the U.S. mid-south region. Objectives of this research on Arkansas-grown hops were to 1) assess the impact of cultivar and fertility rate on plant and cone attributes of six cultivars of Arkansas-grown hops and 2) …

Steric Effect On Benzyl Ether Olefines Under Sadmet Polymerization, Su Hu

Master's Theses

Acyclic diene metathesis (ADMET) polymerization, a type of olefin cross metathesis, is a step-growth and condensation polymerization that can be used to synthesize hydrocarbon polymers with diverse functional groups. Traditional ADMET with symmetric α,ω-dienes is not selective and can only form homopolymers or statistical copolymers. Changing to monomers with acrylate functional groups allows selective reactivity to form block and alternating polymers. In this project, we want to explore other functional groups that result in selective reactivity to form advanced polymer architectures via what we have termed selective acyclic diene metathesis (SADMET) polymerization. Developing new functionalized monomers for SADMET polymerization allows …