Physical Sciences and Mathematics Commons^™

Economic Impacts Of Establishing A Neutron Source Facility In Windsor, Abdur Rahman

Major Papers

Cancer poses a significant health challenge in Canada, with two in five individuals likely to develop the disease. This paper explores the economic impacts of establishing a prototype compact accelerator-based neutron source (PC-CANS) facility in Windsor that will produce medical isotopes locally in Windsor, Ontario, rather than relying on centralized production and transportation from London, Ontario. Fluorine-18 medical isotopes, crucial for positron emission tomography (PET) scans, experience significant decay losses during transportation due to their short half-life of 109.8 minutes, increasing costs and restricting availability. Using a differential analysis approach, the study quantifies economic benefits, focusing on three main impacts: …

Incorporating Solvation Thermodynamic Mapping In Computer-Aided Drug Design, Yeonji Ji

Dissertations, Theses, and Capstone Projects

Advancements in computational techniques have revolutionized structure-based drug design, substantially improving the efficiency and effectiveness of the drug discovery process by reducing time, costs, and labor requirements. These advancements include various methods, such as investigating small molecule ligands binding to proteins, exploring alternative protein conformations, and solvation mapping on the protein surfaces. Among these methods, understanding the correlation between protein-ligand binding and the role of solvation is important.

A fundamental concept in protein-ligand binding is shape and electrostatic complementarity, which is complicated by the inherent flexibility of proteins. In the absence of small molecule ligands, proteins are complementary to surface …

Investigating The Stability Of Different Sizes Of Gold Nanoparticles In Physiological Environments And Different Gold Nanoclusters In Water., Narges Hajighasemi

Electronic Thesis and Dissertation Repository

Gold nanoparticles (AuNPs) have become promising candidates for various biomedical applications due to their unique physicochemical properties and biocompatibility. Nevertheless, the efficacy of AuNPs in these applications highly relies on their stability and ability to maintain their desired properties within the complex environment of the human body. This thesis investigates the stability and aggregation behavior of citrate-coated AuNPs in in-vitro physiological environments and nitrogen heterocyclic carbene (NHC)-coated gold nanoclusters (AuNCs) in water over time. Analytical techniques such as electrophoretic mobility, dynamic light scattering, and inductively coupled plasma mass spectrometry were employed. It was shown that cell media (in contrast to …

Positron Emission Tomography In Oncology And Environmental Science, Samantha Delaney

Dissertations, Theses, and Capstone Projects

The last half century has played witness to the onset of molecular imaging for the clinical assessment of physiological targets. While several medical imaging modalities allow for the visualization of the functional and anatomical properties of humans and living systems, few offer accurate quantitation and the ability to detect biochemical processes with low-administered drug mass doses. This limits how physicians and scientists may diagnose and treat medical issues, such as cancer, disease, and foreign agents.

A promising alternative to extant invasive procedures and suboptimal imaging modalities to assess the nature of a biological environment is the use of positron emission …

Towards A New Role Of Mitochondrial Hydrogen Peroxide In Synaptic Function, Cliyahnelle Z. Alexander

Student Theses and Dissertations

Aerobic metabolism is known to generate damaging ROS, particularly hydrogen peroxide. Reactive oxygen species (ROS) are highly reactive molecules containing oxygen that have the potential to cause damage to cells and tissues in the body. ROS are highly reactive atoms or molecules that rapidly interact with other molecules within a cell. Intracellular accumulation can result in oxidative damage, dysfunction, and cell death. Due to the limitations of H₂O₂ (hydrogen peroxide) detectors, other impacts of ROS exposure may have been missed. HyPer7, a genetically encoded sensor, measures hydrogen peroxide emissions precisely and sensitively, even at sublethal levels, during …

Tpm^Ph Derivative Of Tungsten; Hydrogen-Bonding In 7-Coordinate Cation Complex, Olivia Ryon Simcox

Undergraduate Honors Thesis Collection

Tpm^Ph, or tris(3-phenylpyrazolyl)methane reacts with tungsten hexacarbonyl to form the ligand-metal complex tris(3-phenylpyrazolyl)methane tungsten tricarbonyl, or Tpm^PhW(CO)3. The further complexes of Tpm^PhW(CO)3 and Tpm^PhMo(CO)3 are not known. This project aims to explore how the addition of a phenyl substituent to the pyrazole ring on Tpm impacts the synthesis of [Tpm^PhW(CO)3I]+X– and [Tpm^PhW(CO)3H]+X–. The inclusion of this phenyl substituent may impact the possible hydrogen bonding of then hydrogen contained in the carbon-hydrogen bond. This work aims to explore the extent of hydrogen-bonding of the carbon-hydrogen bond of the Tpm^Ph ligand in cationic metal complexes.

Exploring Cation Exchange: Unveiling Its Significance In Biochar And Bioenergetics Applications, Gyanendra Kharel

Chemistry & Biochemistry Theses & Dissertations

Cation exchange, a cornerstone of soil chemistry and nutrient cycling, is a fundamental chemical process that occurs in soils, sediments, membranes, and other solid materials. It involves the interchange of positively charged ions, or cations, between a solid matrix and a surrounding solution. This process is crucial in various natural and engineered systems, leading to a range of applications across different fields.

This dissertation presents an extensive investigation into the applications of cation exchange in the fields of biochar and bioenergetics, encompassing three distinct aims. The first aim concentrates on the surface oxygenation of biochar through ozonization, aiming to achieve …

Rational Design Of Peptide-Based Materials Informed By Multiscale Molecular Dynamics Simulations, Dhwanit Rahul Dave

Dissertations, Theses, and Capstone Projects

The challenge of establishing a sustainable and circular economy for materials in medicine and technology necessitates bioinspired design. Nature's intricate machinery, forged through evolution, relies on a finite set of biomolecular building blocks with through-bond and through-space interactions. Repurposing these molecular building blocks requires a seamless integration of computational modeling, design, and experimental validation. The tools and concepts developed in this thesis pioneer new directions in peptide-materials design, grounded in fundamental principles of physical chemistry. We present a synergistic approach that integrates experimental designs and computational methods, specifically molecular dynamics simulations, to gain in-depth molecular insights crucial for advancing the …

Using Virus Like Particle Conjugates Of Synthetic Targeting Compounds To Deliver Chemotherapeutic Drugs To Cancer Stem Cells, Austen W. Kerzee

Chemistry Theses

Cancer stem cells are a type of cell that have the properties of both cancer cells and stem cells. They can differentiate into other types of cancer cells, are resistant to conventional chemotherapeutics, and seem to contribute greatly to the metastasis and recurrence of cancer. Due to these properties, eliminating cancer stem cells would be greatly beneficial in the treatment of cancer. While there have been approved therapeutic methods for the removal of a few of the cancer stem cells types, treatment for most types of cancer stem cells are still in the experimental phase and have yet to be …

C. Compactum Acts As A Comprehensive Climate Archive And Ecological Foundation In The Labrador Sea, Sadie Heckman

CMC Senior Theses

Clathromorphum compactum, a species of crustose coralline algae (CCA), is incredibly valuable for the future of high latitude ocean health, both as a comprehensive archive of changing ocean conditions, and ecologically as a foundational species for promoting biodiversity. Previous work establishes C. compactum as an effective climate proxy, and its life history provides several advantages for this use. C. compactum grow in nongeniculate, generally radial formations on hard substrates, over a wide distribution in mid-to-high latitude oceans and at subtidal depth ranges. Indeterminate growth leads to extreme longevity in C. compactum (Halfar et al., 2008), and growth rates are relatively …

Development Of Functional Plasmonic Nanoceria For The Ultrasensitive Detection Of Ebola Glycoprotein, Carissa A. Sutton

MSU Graduate Theses

Infectious diseases have been increasing in both severity and prevalence, leading to increasing economic burdens and health concerns. Ebola hemorrhagic fever is an infectious disease that is both highly communicable and highly fatal. Current detection methods for the virus have high specificity and sensitivity but have long and/or complicated procedures that do not allow for early virus detection in highly affected areas. Compared to the lengthy procedure of reverse transcription-polymerase chain reaction (RT-PCR), real-time RT-PCR is more time-efficient; however, specificity and sensitivity are reduced. Since early detection of the virus is the only way to increase survival rates, sensitive detection …

Chemical Synthesis Of Sensitive Dna, Komal Chillar

Dissertations, Master's Theses and Master's Reports

Over the past decades, researchers have tried various chemical methods to synthesize modified oligodeoxynucleotides (ODNs, i.e. short segments of DNAs). Traditional ODN synthesis methods require strong basic, and nucleophilic conditions for the deprotection and cleavage of the ODN from the solid support. However, the sensitive ODNs containing labile functionalities are vulnerable to such harsh conditions. Sensitive ODNs have a wide range of applications in research and pharmaceuticals. To synthesize sensitive ODNs, researchers devised different strategies but no practical methods have been developed. To overcome these challenges, we developed alkyl Dim alkyl Dmoc technology. This innovative technology uses weakly basic and …

Pathology And Diagnosis In Inflammatory-Related Diseases: Covid-19 And Age-Related Macular Degeneration, Zane Russell Lacasse

Graduate Research Theses & Dissertations

Chronic inflammation and dysfunctional inflammatory responses are believed to be contributing factors to the severity of many diseases. Since the emergence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), it has been recognized that levels of inflammatory markers and the severity of coronavirus disease-2019 (COVID-19) cases are closely related. The work within this dissertation begins with establishing an alternative platform for the diagnosis of COVID-19 and explores ways to enhance the diagnostic utility of this platform. An alternative route for COVID-19 diagnosis was explored using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-ToF MS). The platform utilizes a non-invasive sampling technique …

Biophysical Factors Affecting Habitat Suitability For Crassostrea Virginica, Jason D. Tilley

Dissertations

Oyster reefs provide a variety of important ecosystem services. However, the mortality rate of eastern oyster, Crassostrea virginica, the dominant species that produces oyster reefs in the northern Gulf of Mexico, is increasing at an alarming rate due to a variety of abiotic and biological factors. I examined how biophysical factors, including the less-studied fatty acid profiles of the suspended particulate matter on which oysters feed, influenced morphometric condition of C. virginica.

I sampled suspended particulate matter (SPM) and oysters in-situ in the western Mississippi Sound, which historically supported the majority of oyster production in Mississippi waters. Sampling …

Synthesis Of Bacterial Glycerophospholipids For Biomembrane Model Studies: A Means To Advanced Biofuels, Felix Adulley

Electronic Theses and Dissertations

To reduce reliance on fossil fuels, sustainable biofuels are being pursued, especially advanced biofuels like 1-butanol that have higher energy content and greater compatibility with existing infrastructure than ethanol. A persistent challenge is the yield-limiting toxicity of biofuels and process solvents, such as tetrahydrofuran, to the microbes that ferment biomass into biofuel. The cell membrane is a focal point of toxicity, and understanding how it interacts with fuels and solvents is key to improving yield. Phospholipid bilayers are the core of biomembranes, and model biomembranes of defined composition provide the ideal platform for biophysical studies. To this end, glycerophospholipids characteristic …

The Discovery Of Diverse Picophytoplankton Populations In The Columbia And Willamette Rivers Using Flow Cytometry, Kylee M. Lamberson

Chemistry Undergraduate Departmental Honors Theses

As important primary producers, picophytoplankton determine the flow of carbon and energy in aquatic ecosystems. Picocyanobacteria are one picophytoplankton group known to be dominant in oceans and lakes, but they are still poorly understood in river systems. This project examined picophytoplankton communities in two distinct river systems: the Columbia and Willamette Rivers in Portland, Oregon. I aimed to characterize and quantify the picophytoplankton populations in the context of the environmental conditions of the two rivers. I used flow cytometry to detect cells based on their relative size and pigment fluorescence. I sampled nearly weekly for ten months to capture population …

Integration Of Algae And Biomass Processes To Synthesize Renewable Bioproducts For The Circular Economy, Jessica Martin

USF Tampa Graduate Theses and Dissertations

Rapid population growth and global industrialization have substantially heightened the demand for fossil-based fuels and products in various sectors of the global economy, including energy production, transportation fuels, and as raw materials for petrochemicals. The intense consumption of fossil fuels has caused immense environmental impacts, especially pertaining to carbon dioxide emissions. Shifting to renewable feedstocks (raw materials) is expected to reduce these emissions by lowering the carbon footprint of fuels and products compared to traditional fossil-derived alternatives. This transition aligns with the goal of creating a sustainable and circular economy, emphasizing efficient resource use, and reducing waste generation through recycling …

Binding Interactions Of Biologically Relevant Molecules Studied Using Surface-Modified And Nanostructured Surfaces, Palak Sondhi

Dissertations

This research focuses on the field of surface nanobioscience, wherein different nanosurfaces that will be used as working electrodes in the electrochemical cell are manufactured and surface modified to understand the critical binding interactions between biologically significant molecules like proteins, carbohydrates, small drug molecules, and glycoproteins. This research is essential if we are to determine whether a synthetic molecule can serve as a therapeutic candidate or diagnose a disease in its early stages. In order to fully understand the binding interactions, the study begins with defining some of the fundamental concepts, principles, and analytical tools for biosensing.

Afterwards, we addressed …

Short-Term Versus Long-Term Effects Of Nitrogen Addition And Warming On Ecosystem N Dynamics In A Grass-Dominated Temperate Old Field, Benjamin F. A. Souriol

Electronic Thesis and Dissertation Repository

Increased atmospheric nitrogen (N) deposition and climate warming are both anticipated to influence the ecosystem N dynamics of northern temperate ecosystems substantially over the next century. Nevertheless, in field experiments with N addition and warming treatments, temporal scale can play an important role in determining the extent of treatment effects on N dynamics, and it is unclear to what extent the results of short-term studies can be extrapolated to responses over longer time scales. I compared the short-term versus long-term effects of N addition and warming on net N mineralization, N leaching, and N retention in a grass-dominated old field. …

Structural Insights Into The Cl-Par-4 Protein: Ionic Requirements, Conformational Transitions, And Interaction With Cisplatin, Krishna Kumar Raut

Chemistry & Biochemistry Theses & Dissertations

Cancer continues to be the leading global cause of death, with challenges in early diagnosis, drug resistance, non-specific drug targeting, and cancer recurrence and metastasis posing formidable obstacles in cancer therapy. In this context, Prostate Apoptosis Response-4 (Par-4), a pro-apoptotic tumor suppressor protein, emerged as a promising therapeutic target due to its ability to selectively induce apoptosis in cancer cells, thereby minimizing the drug-associated adverse effects. However, a comprehensive understanding of the structural features of Par-4, specifically the caspase-cleaved fragment (cl-Par-4), is crucial for therapeutic advancements.

This dissertation investigated the effects of various ions, both monovalent and divalent, on the …

Structural Control Of Metallothionein Metallation And Oxidation, Natalie C. Korkola

Electronic Thesis and Dissertation Repository

Metallothioneins (MT) are a family of cysteine-rich metal-binding intrinsically disordered proteins that are ubiquitous across life. The proposed functions of MTs are to maintain Zn(II) homeostasis, participate in heavy metal detoxification, and protect against oxidative stress by binding to a variety of metals in a range of stoichiometries. However, due to their disordered nature and ability to form multiple metallated species, these diverse structures are not well characterized. Electrospray ionization mass spectrometry (ESI-MS) is a technique that allows quantification of heterogeneous metallation states through analysis of the speciation distributions. In this thesis, ESI-MS in combination with other spectroscopic techniques is …

Protein Stability In Solution And In The Gas Phase., Yousef Haidar

Electronic Thesis and Dissertation Repository

Electrospray Ionization mass spectrometry (ESI-MS) is widely used for probing proteins, yet many aspects of this technique remain elusive. Using MS, ion mobility spectrometry (IMS), and circular dichroism (CD) spectroscopy, this thesis sheds light on the stability differences of proteins in the gas phase and solution. After a general introduction (Chapter 1), Chapter 2 scrutinizes some aspects of native ESI. Our data highlight the significance of cone voltage in maintaining a native-like fold and show the advantage of using NH₄Ac in protein experiments. Chapter 3 focuses on hydrogen/deuterium exchange (HDX)-MS. Several studies have reported that D₂O …

Development Of Antiviral Peptidomimetics, Songyi Xue

USF Tampa Graduate Theses and Dissertations

Protein-protein interactions (PPIs) are essential for biological processes and are associated with a number of diseases, including cancer, infectious diseases, and neurodegenerative diseases. As a result, modulation of PPIs has been recognized as one of the most promising strategies to develop the novel drugs. Peptide modulators always exhibit higher specificity and affinities with targets than small compounds or monoclonal antibodies, but their broad medicinal effectiveness is constrained by their poor bioavailability and biostability. Peptidomimetics, which have been developed to mimic the structure as well as function of bioactive peptides and proteins, have shown excellent potential in protein surface mimicry and …

Construction And Performance Optimization Of Bioconjugated Nanosensors For Early Detection Of Breast Cancer And Pro-Inflammatory Diseases, Pooja Gaikwad

Dissertations, Theses, and Capstone Projects

In recent years, nanosensors have emerged as a tool with strong potential in medical diagnostics. Single-walled carbon nanotube (SWCNT) based optical nanosensors have notably garnered interest due to the unique characteristics of their near-infrared fluorescence emission, including tissue transparency, photostability, and various chiralities with discrete absorption and fluorescence emission bands. Additionally, the optoelectronic properties of SWCNT are sensitive to the surrounding environment, which makes them suitable for in vitro and in vivo biosensing. Single-stranded (ss) DNA-wrapped SWCNTs have been reported as optical nanosensors for cancers and metabolic diseases. Breast cancer and cardiovascular diseases are the most common causes of death …

Clickable Lipid Precursors As Chemical Tools For Imaging And Tracking Lipids, Christelle Anne Fernandez Ancajas

Doctoral Dissertations

The regulation of lipid metabolism is crucial for maintaining the human body, as disruptions in lipid homeostasis have drastic implications. While lipids are known for their roles as energy stores as well as for cellular compartmentalization, certain lipid classes can serve as signaling agents that govern cellular behavior and physiology or as biomarkers whose concentration and spatial organization impacts cell fate. Thus, dysregulation in these processes coincide with a variety of diseases and cancers. However, the ability to track lipids has been a long-standing challenge in the area of chemical biology since lipids are chemically diverse and undergo continuous interconversion …

Investigating The Activity Of Alternative Warheads For Targeted Covalent Inhibition Of The Inhibitor Vertebrate Lysozyme Protein From Pseudomonas Aeruginosa, Katie Hambrick

Master of Science in Chemical Sciences Theses

Pseudomonas aeruginosa (P. aeruginosa) is a Gram-negative bacterium that causes blood and lung infections in hospital environments due to its ability to survive on improperly sterilized medical equipment. P. aeruginosa has developed several multi-drug resistance mechanisms that make it very difficult to treat with current antibiotics.¹ This presents the need for a new class of antibiotics that cannot be overcome by P. aeruginosa’s mechanisms of resistance.

The primary goal of this project was to develop a small library of inhibitors that could later be incorporated into lead compounds for novel antibiotic drug discovery. One of P. …

Chemical And Genetic Composition Analysis Of Organic And Nonorganic Tortilla Chips, Aubrey White-Day

Honors Theses

The aim of this study was to explore the chemical and genetic differences between organic and nonorganic tortilla chips using GC-MS and PCR. Twenty chip brands were selected: 10 organic and 10 nonorganic. A survey on shopping preferences was created and distributed to compare results of public opinion to experimental data. It yielded 212 responses. All organic chip brands, and one out of ten nonorganic chip brands, tested negative for GMOs. This study concluded that there are minimal chemical differences based on Jaccard similarity indicies and stark genetic differences between organic and nonorganic tortilla chips. In comparing statistical analyses to …

The Development Of Novel Radioimmunoconjugates For The Pet Imaging And Radioimmunotherapy Of Cancer, Samantha M. Sarrett

Dissertations, Theses, and Capstone Projects

Antibodies have long played a vital role in nuclear medicine for both the diagnosis and therapy of various malignancies. The role and development of antibodies in nuclear medicine can be broadly separated into three different categories: 1) bioconjugation strategies, 2) immunoPET imaging, and 3) radioimmunotherapy. This dissertation will attempt to comprehensively cover each of these categories through a series of studies, protocols, and reviews. For the bioconjugation strategies, we will describe the development of a novel site-selective bioconjugation strategy using an innovative lysine-targeting reagent, PFP-bisN₃, to prepare [⁸⁹Zr]Zr-^SSKDFO-pertuzumab for visualizing HER2+ breast cancer. Further, …

Artemisinin And Its Derivatives Reactions: Characterization Of The Reaction Products Using Lc/Tof Ms, Kogila Vijayan

Theses and Dissertations

Artemisinin (ART) is a sesquiterpene lactone and a popular malaria drug with potential anticancer properties. In this work, LC/TOF MS was used to investigate the reaction of ART with DNA bases and estradiol. ART-deoxyadenosine and ART-deoxycytidine interactions were studied in the presence of Fe (II) ions. ART-deoxyadenosine and ART-deoxycytidine reaction mixtures gave chromatographic signatures that remained unchanged at room temperature but grew after incubation at 37°C. The change in temperature from room temperature to 37°C was the main driver of adduct formation in these reactions. ART was found to react with Fe (II) ions as observed from several new chromatographic …

Structural Integrity And Stability Of Dna In Ionic Liquid And Near-Infrared Indolizine Squaraine Dye, Ember Yeji Suh

Honors Theses

Luminol, the most common presumptive test for blood at a crime scene, has multiple issues, such as false positive results with chemical agents, no luminescence due to “active oxygen” cleaning agents on bloodstains, and inability to penetrate textile materials. A combination of indolizine squaraine dye and ionic liquid (IL), or Dye Enhanced Textile Emission for Crime Tracking (DETECT), have shown potential to address these issues. The purpose of this study was to assess the binding mechanism of CG (1:1) and SO₃SQ dye to HSA and how the mechanism can explain the W214 fluorescence quenching effect and to determine …