Chemistry Commons^™

Environment-Friendly Flame Retardants For Bio-Based Polyurethanes, Felipe Martins De Souza

Electronic Theses & Dissertations

Finding alternative ways to decrease the large consumption of non-renewable resources has been one of the greatest challenges faced by the industry and academia. The trend of using bio-renewable-based materials is an interesting alternative to tackle environmental issues as well as provide economically viable materials. In this work, carvone, an essential oil, was used to synthesize a bio-based polyol through a thiol-ene reaction. The chemical functions were analyzed through Fourier transformed infrared spectrum (FTIR), gel permeation chromatography (GPC), viscosity, and hydroxyl number, which confirmed the synthesis of carvone-based polyol. The latter was then physically blended with three different flame-retardants separately: …

Facile Synthesis Of Metal Oxides, Sulphides, And Phosphides For Enhanced Energy Applications, Alfred Nkhama

Electronic Theses & Dissertations

An access to reliable, sustainable, eco-friendly and cost-effective energy supply is being challenged by the global increase in population and the rapid technological advancement. Sophisticated systems, machinery and various devices being innovated, require the steady energy supply for their operations and applicability. To have reliable energy, numerous researches are being conducted through various approaches across the world. In this research work, the facile approach in investigating and tuning the materials properties was employed to improve energy properties of metal oxides. Nanostructured NiFe-oxide and CoFe-oxide were synthesized using a facile coprecipitation method. It was revealed that; nanostructured materials have favorable structures …

Extreme Weather And Its Impacts On Human Civilizations: An In-Depth Investigation Of Causes And Effects, Jason Zabel

Senior Honors Theses

Extreme weather has impacted humanity since creation and is an important topic that deserves examination. In this thesis, the main event that is presented and analyzed is the extreme haze that clouded much of China’s skies in 2013. Further, the impacts this major event had on people, including changes in population movement, death/injury rate, and changes in atmospheric chemistry due to the high concentration of particulates are discussed. Subsequent examples that will be explored include Hurricane Katrina and the eruption of Mt. St. Helens. The main contention of this thesis is that the effects extreme weather has on human civilization …

Food Chemistry, Emelia Zukowski, Brian A. Provencher

Chemistry & Biochemistry Faculty Publications

No abstract provided.

Investigations Into Effects Of Modified Prolines On Cis-Trans Isomers And Polypeptide Secondary Structure & Prediction Of Spectroscopic Properties Of Phthalonitriles For Characterization, Jeffrey Raab

Seton Hall University Dissertations and Theses (ETDs)

Proline is a unique amino acid because it is the only amino acid whose side chain wraps around and bonds back to the peptide backbone. This ring shape helps proteins form conformations which would otherwise not be possible such as hairpin turns. The cis/trans isomerization of the peptide bond between the preceding amino acid (X_aa) and Proline is important in determining how the secondary structure folds. Thus, being able to control the cis/trans isomerization is important when a specific conformation is desired; Proline can be modified to get make the equilibrium shift whichever way is needed. The modifications …

Supporting Biomedical Research Training For Historically Underrepresented Undergraduates Using Interprofessional, Nonformal Education Structures, Lisa K. Marriott, Aaron Raz Link, Roberto P. Anitori, Ernest A. Blackwell, Andrea Blas, Jennifer Brock, Tracey K. Burke, Julia A. Burrows, Alexis P. Cabrera, Derek Helsham, Lorna B. Liban, Marilyn R. Mackiewicz, Mika Maruyama, Kathryn C.A. Milligan-Myhre, Perry J.C. Panelinan, Margaret Hattori-Uchima, Russell Reed, Ben E. Simon, Beylul Solomon, Alma M.O. Trinidad, Letisha R. Wyatt, Alonso Delgado Covarrubias, Adrienne Zell, Thomas E. Keller, Cynthia Morris, Carlos J. Crespo

Chemistry Faculty Publications and Presentations

Research experience provides critical training for new biomedical research scientists. Students from underrepresented populations studying science, technology, engineering, and mathematics (STEM) are increasingly recruited into research pathways to diversify STEM fields. However, support structures outside of research settings designed to help these students navigate biomedical research pathways are not always available; nor are program support components outside the context of laboratory technical skills training and formal mentorship well understood. This study leveraged a multi-institutional research training program, Enhancing Cross-Disciplinary Infrastructure and Training at Oregon (EXITO), to explore how nine institutions designed a new curricular structure (Enrichment) to meet a common …

Provo - 1991

United States Data - Utah

Relevant Publications

Air & Waste Management Association Publication (1993)

Final Report

Tuscarora Mountain Tunnel - 1991

United States Data - Pennsylvania

Relevant Publications

Atmospheric Environment Publication (1996)

Structure Determination Of Pd2sin (N = 1 - 9) Clusters, Ryan Carlin

Honors College Theses

The geometry and relative stability of small Pd2Sin (n = 1 - 9) clusters are determined using the B3LYP hybrid density functional theory method. Candidate structures are identified by the utilization of unbiased global optimization procedures. From the lowest energy geometries, binding energy, fragmentation energy, second-order energy difference, and frontier orbital gap energy are calculated to determine cluster stability. Pd2Sin (n = 8 and 9) adapts new lowest energy geometric configurations that have previously not been considered. Pd2Si5 is determined to have a high relative stability of the clusters within this size range.

Game-Based Learning In Science: Can Video Games Simplify Organic Chemistry?, Rachel Israel

Senior Honors Theses

Organic chemistry has been taught in the same way for decades, and students still have difficulty understanding and comprehending the subject material. Perhaps it is time to change the methods by which this subject is taught. Video games have been successfully used in education to create learning environments that increase student motivation and engagement as well as challenge students and promote collaboration. It is difficult for students to maintain a growth mindset in organic chemistry within the classroom. However across different genres, video games create a unique environment where an individual is encouraged to try again when they fail. This …

Determination Of Metals And Microplastics In Sediment From Oyster Reefs In The Mississippi Sound, Shelby Goza

Honors Theses

This research centers on the determination of metals (Cd, Pb, V, Cr, Mn, Fe, Co, Ni, Cu) and microplastics (MPs) in marine sediment from oyster reefs in the Mississippi Sound Estuary. Oysters (Crassostrea virginica) are a vital part of the Gulf Coast economy, but their population has dramatically declined in recent years due to multiple stressors, including oil spills and fluctuations in salinity from flooding. Increasingly frequent flooding events also introduce high loads of MPs and sediments containing heavy metals from the Mississippi River. These pollutants can have deleterious effects on oyster biology; however, they have not been adequately …

End Group Modification Of Linear Dendritic Block Copolymers (Ldbcs), Chinwe Udemgba

Honors Theses

Linear dendritic block copolymers are amphiphilic molecules that consist of a dendritic hydrophilic portion and a linear hydrophobic portion. Its unique ability to self-assemble into spherical nanoaggregates while having the potential to uptake and transport both hydrophilic and hydrophobic drugs makes these polymers an item of interest in regard to the drug delivery field. The synthesis of polyamidoamine-polylactide linear dendritic block copolymers was designed to address the common issues in drug delivery systems, including problems in permeability, solubility, stability, specificity, and retention. Though this linear dendritic block copolymer has previously been synthesized in our lab with cationic amine surface functionalities, …

Applications Of Sodium Azide In The Synthesis Of Tetrazines And Hydrolysis Reactions, My Le

Honors Theses

The inverse electron demand Diels−Alder cycloadditions of heterocyclic azadienes have provided a robust methodology for synthesizing highly substituted and functionalized heterocycles. It is widely used in organic synthesis and the pharmaceutical industry in the divergent construction of screening libraries and bioorthogonal conjugation. Each heterocyclic azadiene was found to possess a unique reactivity toward different classes of dienophiles, display predictable modes of cycloaddition, and exhibit substantial substituent electronic effects impacting their intrinsic reactivity and cycloaddition regioselectivity. Synthesis of 1,2,4,5-tetrazine has been reported in the literature since the late 19th century, showing scientists' tremendous interest in its application.

Herein we attempt to …

Effects Of Crowding Agents On I-Motif Dna, Hayden Brines

Honors Theses

Deoxyribonucleic acid (DNA) is a well-known double stranded, helical, biological molecule. In addition to its more commonly known structure, DNA can also form more complicated structures like G-quadruplexes and i-motifs (iM). The iMs are formed by cytosine rich DNA and are a four stranded structure that is typically looped around itself. The iM formation is typically pH-dependent and is favored in more acidic conditions; the pKa value is approximately 6.5. This pKa value allows for potential in vivo formation, since the cells have a pH of approximately 7.3. Due to this, iMs are thought to be powerful, innovative molecules for …

Computational Investigation Of Stellar Cooling, Noble Gas Nucleation, And Organic Molecular Spectra, Jax Dallas

Honors Theses

Since the advent and optimization of the Hartree-Fock method, quantum chemistry has been utilized to investigate systems operating on timeframes and environments traditionally unavailable to bench-top chemistry. As computational methods have grown more robust and less time consuming, quantum chemistry has been utilized to investigate a range of fields, including the steadily growing discipline of computational astrochemistry. Through the lens of computational astrochemistry, chemistry that occurred billions of years ago can be explored with equal clarity to that which is currently happening in the cosmos. The work presented throughout this thesis is a series of investigations into different timeframes of …

Effects Of Halogen Bonding On 13c Nmr Shifts Of Various Tolan Species, Anthony Lybrand

Honors Theses

Halogen bonding is slowly becoming a more and more useful part of the world of chemistry and is beginning to be incorporated into various aspects of the chemical industry. This study’s purpose is to determine whether or not halogen bonding can cause any effect in the 13C NMR shifts. The specific purpose of this study is to determine whether these chemical shifts change when a Lewis Base is added to the dissolved sample. In order to do this, the tolan species (4-iodotolan and 4-chlorotolan) had to be synthesized. Once synthesized, the tolan species were analyzed via NMR. NMR data indicated …

Synthesis And Self-Assembly Of Amphiphilic Block Copolymers For The Fabrication Of Non-Spherical Polymersomes, Tamuka Chidanguro

Dissertations

Polymersomes, also known as polymer vesicles, have gained a lot of interest over the past two decades. These hollow spherical systems are made via the self-assembly of amphiphilic block copolymers and have found use in a range of areas from drug delivery, to cellular models, to nanoreactors. Their hollow nature allows them to carry hydrophilic cargo in their inner compartment and hydrophobic cargo in their membrane. Over the last decade, increasing efforts have focused on controlling the morphology of polymersomes. Research has shown that polymersome morphology plays an important role for instance in drug delivery, where tubular or rod-like vesicles …

The Power Of Sulfur: A Study Of An Isothiocyanate Chiral Derivatizing Agent, Thioamide Based Chiral Solvating Agents, And The Geometry Of Sulfonamides, Emily B. Crull

Dissertations

This three-part dissertation is connected by the thread of utilizing sulfur-based functional groups, hence the power of sulfur. The first project was the development of a pentafluorobenzene based isothiocyanate chiral derivatizing agent (CDA), a class of compounds that differentiate enantiomers through covalent bond formation. This project, which was addressed using a combination of synthetic and computational methods and NMR analysis, gave rise to an CDA that was highly selective for amines and computationally predictable. Branching off of that, the second project demonstrated the use of two thioamide chiral solvating agents (CSAs), which had never been reported as a core functional …

Data-Driven Approaches To Complex Materials: Applications To Amorphous Solids, Dil Kumar Limbu

Dissertations

While conventional approaches to materials modeling made significant contributions and advanced our understanding of materials properties in the past decades, these approaches often cannot be applied to disordered materials (e.g., glasses) for which accurate total-energy functionals or forces are either not available or it is infeasible to employ due to computational complexities associated with modeling disordered solids in the absence of translational symmetry. In this dissertation, a number of information-driven probabilistic methods were developed for the structural determination of a range of materials including disordered solids to transition metal clusters. The ground-state structures of transition-metal clusters of iron, nickel, and …

Design And Modeling Of Bioinspired Polyelectrolytes With Controlled Architectures For Gene Delivery Applications, Kelli Stockmal

Dissertations

This dissertation focuses on the development of a range of bioinspired polyelectrolytes with controlled architectures for gene and drug delivery applications. Glycans are ubiquitous in biological systems, and understanding the role of saccharide stereochemistry, as well as cationic charge, on polymer behavior in aqueous solution and the interactions with nucleic acids can provide insight into how synthetic polyelectrolytes can be used for non-viral gene delivery and other biological applications. The first chapter provides an introductory overview on how cationic polyelectrolytes can be used to aid the delivery of RNA for controlling gene expression in a variety of cell types, how …

Atomic Oxygen Resistant Low Earth Orbit Stable Polymer Matrix Composites Employing Phenylphosphine Oxide Epoxy-Amines, Witold Fuchs

Dissertations

Atomic oxygen (AO) attacks polymer matrix composites (PMC’s) on the surfaces of spacecraft in low earth orbit (LEO) and threatens safe spacecraft operation and service life. Incorporating phenylphosphine oxide (PPO) groups into polymer chains offers a self-regenerating method of protection from AO but remains poorly understood. Herein, epoxies containing PPO groups were synthesized with increasing concentrations of phosphorus [P] from 0 to 8 wt % to investigate their AO resistance. Measurements confirmed the exposure of these materials to AO produces a passivation phosphate (POx) layer on the surface of the sample and the efficacy of the resultant layer was directly …

Post Covid-19 Water And Waste Water Management To Protect Public Health And Geoenvironment, Ken Cornell, Arvin Farid

Chemistry and Biochemistry Faculty Publications and Presentations

The coronavirus disease 2019 pandemic has posed severe threats to humans and the geoenvironment. The findings of severe acute respiratory syndrome coronavirus 2 (Sars-CoV-2) traces in waste water and the practice of disinfecting outdoor spaces in several cities in the world, which can result into the entry of disinfectants and their by-products into storm drainage systems and their subsequent discharge into rivers and coastal waters, raise the issue of environmental, ecological and public health effects. The aims of the current paper are to investigate the potential of water and waste water to operate as transmission routes for Sars-CoV-2 and the …

Kinetics For Enzymatic Conversion Of Biomass To Glucose, Jordan Broadwater

Undergraduate Honors Theses

Biofuels are a sought-after alternative for fossil fuels in today’s society. More specifically, cellulose-based biofuel is an avenue of research intending to limit waste and provide new renewable energy. Cellulose is a rigid polymer of glucose monomers that is found abundantly across different agriculture crops. However, its stability is a barrier to energy production from this source. Pretreatment followed by hydrolysis of cellulosic materials serves a potential to produce glucose to be used in biofuels in larger quantities compared to other methods. This project studied the effect microwave pretreatment and oxygenation have on hydrolysis of cellulose in Arundo Donax. Arundo …

Isolating And Manipulating Microorganisms Using Ureolysis For Creating Extraterrestrial Microbial Biotechnology Systems, Nina M. Wendel

Honors Theses

The conversion of CO2 into valuable feedstocks, such as high energy sugars would create paradigm shifting technologies for applications on earth and for interplanetary exploration. Microbes and microbe consortia may be one way to accomplish this conversion. Approximately 70% of the Earth’s microorganisms live in the dark marine biosphere (DMB). The DMB, which covers more than two-thirds of the Earth, is known as the most isolated region of the Earth’s largest CO2 sink. Despite its role in reducing CO2 and its vast majority of microorganisms, only about 5% of the sea floor has been explored. Due to the limited knowledge …

Fluorinated Alcohol Induced Supramolecular Bipbasic Systems In Proteomics And Lipidomics, Mohammadmehdi Azizi

Chemistry & Biochemistry Dissertations - Archive

The Fluoroalcohol induced Supramolecular Biphasic (FAiS-BP) systems are composed of a supramolecular phase which is a highly concentrated mixture of a fluoroalcohol and an amphiphile, and a separate aqueous-rich phase. The first part of this study presents new classes of FAiS-BP systems and studies their application in identification and coverage enhancement of low-abundance and/or hydrophobic proteins, such as integral membrane proteins. By taking the advantage of FAiS-BP systems in proteomics, we can concomitantly extract, fractionate, and enrich proteins; therefore, an additional separation dimension and a simple step of enrichment would be added prior to the LC-MS. Yeast proteins (Saccharomyces cerevisiae …

Study Of Hierarchy And Pore Architechture Of Porous Materials, Poroshat Taheri

Chemistry & Biochemistry Dissertations - Archive

Research to design, synthesize, and characterize porous materials is a rapidly growing field due to porous materials’ potential use in a wide range of applications. For any application, insights into the structure formation parameters and properties relating to those parameters are highly desired. This thesis deals with the combination of two classes of materials, aerogels and polymer-derived ceramics. Polymer Derived Ceramics (PDCs) are processed using liquid-based, hydrocarbon polymeric precursors at lower temperature, followed by heat treatments at higher temperature. Silicon oxycarbide (SiCO) is one type of PDC. Various types and ranges of porosity can be introduced into SiCO when using …

Ene Reactions Of Methylidene Thiazolidines, Key M. Tse

Chemistry & Biochemistry Theses - Archive

This thesis describes the synthesis of seven new racemic molecules from methylidene thiazolidines reacting with two enophiles, N-phenylmaleimide and ethyl glyoxylate. The synthesis of these molecules was achieved through the ene reaction under thermal conditions, resulting in an adduct containing a single chiral carbon. This is foundational work in exploration of ene reactions of the methylidiene thiazolidines used in this work with different enophiles and eventually asymmetric catalysis to synthesize chiral compounds, such as non-natural amino acids. Chapter 1 of this thesis describes the ene reaction and the various molecules that were synthesized via an ene reaction. It also describes …

A Multifunctional Solution Composed Of Tmpyp, 1,5-Dhn, And Fe(Iii) Ions That Produces Reactive Oxygen Species (Ros) In Aerobic, Anaerobic, And H2o2 Environments, Aqeeb Ali

Electronic Theses and Dissertations

Photodynamic therapy (PDT) has become a widely popular therapeutic approach for treating various types of cancer over the past several decades. PDT utilizes a photosensitizer, visible light, and oxygen, to produce reactive oxygen species (ROS) which can be used to treat cancer and inhibit growth of bacteria. In this study, a multifunctional solution that is comprised of Fe(III) ions, cationic meso-tetra(N-methyl-4-pyridyl)porphine tetrachloride (TMPyP), and 1,5-dihydroxynapthalene (1,5-DHN), was shown to produce reactive oxygen species (ROS) such as singlet oxygen (¹O₂) or hydroxyl radicals (ȮH) in aerobic or anaerobic environments, respectively, and in both environments, 1,5-DHN was oxidized …

Simulation Of The Interaction Between Striated Muscle Unc-45 And Transcription Factor Gata-4, Drake Alexander Duncan

Electronic Theses and Dissertations

Striated Muscle UNC-45, also known as UNC-45b, is an important protein that acts as a chaperone for myosin in cardiac and skeletal muscles, binding to myosin at its C-terminal UCS domain and regulating its assembly into thick filaments and sarcomeric structures. The UCS domain contains a large loop that is believed to be the first point of interaction between myosin and UNC-45b. GATA-4 is an essential transcription factor that facilitates transcription of several genes in cardiac development, particularly alpha-heavy chain myosin in heart tissue. Recently, studies have shown that there is interaction of GATA-4 with UNC-45b and that GATA-4 binds …

Expeditious Approach To 3,3’-Bis-Silyl Binols, Biphenols, And 3,3’-Bis-Silyl Phosphoramidites Enabled By Catalytic C–H Silylation With A Traceless Acetal Directing Group, Hiep Hoang Nguyen

Chemistry & Biochemistry Dissertations - Archive

The research described in this dissertation is on two different projects namely i) Syntheses of 3,3’-bis functionalized BINOL and biphenol compounds, ii) Syntheses of 3,3’-bis silyl-BINOL-based phosphoramidites. The first chapter reports attempts at developing a unified strategy to access a range of 3,3’-bis-substituted BINOLs. This approach to access the 3,3’-functionalized BINOLs centers on the use of dioxasilines as a key intermediate generated through C-H activation catalytic reductive 3,3’-bis-silylation with a traceless acetal directing group. Dioxasilines successfully undergo nucleophilic addition to achieve various species of 3,3’-bis-silyl BINOLs with good yields. The scope is also expanded to a variety of silanes and …