Chemistry Commons^™

An Assessment Of Carbon Dioxide Removal Potential From Stormwater Ponds Using Concrete-Based Materials, Yu-Hsuan Tai

Theses and Dissertations (Comprehensive)

Stormwater ponds (SWPs) are engineered stormwater infrastructure known to be major greenhouse gas (GHG) emitters, including carbon dioxide (CO₂). Concrete-based materials have great potential to capture CO₂ as carbonate minerals (CaCO₃), through aqueous carbonation, driven by their alkaline nature and high portlandite (Ca(OH)₂) content. However, the mechanistic understanding of how specific parameters including mass, surface area, and degradation of calcium silicate hydrate (C-S-H) phases collectively control carbonation kinetics and CO₂ uptake under dynamically evolving conditions remains underexplored. Laboratory-scale experiments were conducted to evaluate the effects of cement dosage, particle surface area, and …

Computational Studies Of Triplet State Formation In Zinc Dipyrrin Complexes, Reuben Kwabla Adigbli

Electronic Theses and Dissertations

Zinc dipyrromethene complexes are promising earth-abundant photosensitizers due to their strong visible-light absorption and tunable excited states. To rationally design them for photocatalysis and photodynamic therapy, a molecular-level understanding of triplet-state formation is needed, but details of intersystem crossing remain unclear. To study the effect of π-extension, we synthesized an indole-substituted zinc dipyrrin complex: the dipyrromethane ligand was prepared from indole and mesitaldehyde, oxidized to the dipyrromethene, then coordinated with zinc. DFT and TD-DFT calculations determined ground and excited-state geometries and energies in different solvents, modeled absorption spectra, and visualized charge distributions. The results show how solvent polarity shifts energies …

Study Of Fast Switching Metastable-State Photoacids And Controlled Drug Release From Polycaprolactone (Pcl) Vascular Scaffold, Rana Salman Abbood Abbood

Theses and Dissertations

Metastable-state photoacid (mPAH) has become a common tool for controlling and driving chemical processes with light. mPAHs with fast reverse reactions are desirable for precise temporal control or generating quick pulses of proton concentration. In this work, different approaches towards fast reversing mPAHs are studied. Experimental and computational results showed that stabilizing the charge–transfer intermediate is an effective way to increase the rate. A novel mPAH with a reverse reaction ≈500 times faster than the most widely used mPAH in methanol has been developed. Another water-soluble mPAH exhibited a reverse reaction with a rate constant of 7.8 s−1, the fastest …

Stimuli-Responsive Proton Transfer: Photoacid Design, Co2 Sorbent Regeneration, And Polymer Applications, Melyse Ava Laud

Theses and Dissertations

Control over proton transfer enables the regulation of many pH-dependent chemical and material processes. Stimuli-responsive functional materials provide a means of achieving this control. Functional materials such as Metastable-state photoacids (mPAHs) reversibly release large amounts of protons when stimulated by light from a weakly acidic site within their structure. However, the dark acidities of previously reported mPAHs limit their use under basic conditions. To address this limitation, a benzimidazole-type mPAH was developed with an improved ground-state pKa of 11.9 and a metastable-state pKa of 9.8, enabling reversible proton transfer under mildly basic conditions. Additional mPAHs were examined to determine how …

A Fundamental Study Of Fatty Acid Ionic Liquids And Their Effects On Biomolecules, Achismita Dutta

Theses and Dissertations

Fatty acid ionic liquids (FAILs) are a class of ionic liquids (ILs) with relatively low toxicity and potential applications in biological systems. This study examined the interactions of tetramethylguanidinium decanoate, tetramethylguanidinium octanoate, choline decanoate, and choline octanoate with lipid membranes, proteins, and nucleic acids. Membrane leakage experiments using model lipid vesicles showed that decanoate-based FAILs produced greater membrane permeabilization than octanoate-based analogues, consistent with their higher membrane permeability. These effects were stronger for the ILs than for decanoate alone and occurred below the critical micelle concentration (CMC), suggesting that micelle formation may not be essential for membrane disruption. The ability …

Quantitative Analysis Of Blue 1 Dye In Commercial Sports Drinks By Uv -Vis Spectroscopy And Hplc-Dad, Mikayla Bush

Forensic Science Master's Projects

Food dyes are natural or synthetic substances added to foods, beverages, and cosmetics to enhance color and visual appeal. Although they provide no nutritional value, they are widely used to attract consumers, particularly children. Concerns have been raised about the potential health effects of synthetic dyes, including links to hyperactivity in children, tumor formation at high doses, and possible impacts on gut and brain function. In response, regulatory efforts are ongoing. In April 2025, the U.S. Department of Health and Human Services (HHS) and the Food and Drug Administration (FDA) announced an initiative to phase out petroleum-based food dyes, including …

The Role Of External Factors In Shaping Carbohydrate Conformational Landscapes, Murat Yaman

Dissertations, Theses, and Capstone Projects

Carbohydrates (glycans) are among the most structurally diverse biomolecules and participate in a wide range of biological processes, including molecular recognition, cell adhesion, immune response, host-pathogen interactions, and cellular signaling. Their biological functions are governed by a complex interplay between sequence, stereochemistry, conformational flexibility, and environmental factors. However, the structural heterogeneity and dynamic nature of glycans present significant challenges for both experimental characterization and theoretical modeling. In particular, the relationships between glycan structure, conformational dynamics, and the resulting potential energy surfaces remain incomplete.

This dissertation investigates how external factors modulate the potential energy surfaces of carbohydrates through a combination of …

Catalytic Synthesis Of Protoberberine Alkaloids And Their Evaluation As Selective Dopamine Receptor Ligands, Ashok Reddy Gudipally

Dissertations, Theses, and Capstone Projects

Dopamine regulates motor control, cognition, reward, motivation, and neuroendocrine signaling. Disruption of dopaminergic neurotransmission is closely linked to central nervous system disorders, including Parkinson’s disease, schizophrenia, addiction, and related neuropsychiatric conditions. Because these functions are mediated by multiple dopamine receptor subtypes with distinct roles in physiology and disease, the discovery of subtype-selective ligands remains an important goal in neuropharmacology. Within this context, protoberberine alkaloids, particularly tetrahydroprotoberberines (THPBs), are attractive molecular frameworks because they combine structural complexity with broad biological relevance, including measurable activity in CNS-related diseases. Prior work from our laboratory and others established (–)-stepholidine (1.60) as an important lead …

Development Of Ultrafast Protein Digestion And Standards Free Quantitation Methods For Mass Spectrometric Analysis, Praneeth Ivan Joel Fnu

Dissertations

A wide variety of biologically important molecules, such as enzymes, antibodies, hormones, transporters and receptors are proteins by composition and they play key roles in biological functions such as cellular regulation, communication, metabolism and physiological function. Protein dysfunctions and abnormalities are associated with numerous diseases, making proteins critical targets for understanding disease mechanisms and developing therapeutic interventions. Protein-based therapeutics such as monoclonal antibodies, hormones and vaccines gained popularity due to their high specificity, efficacy, and ability to treat complex diseases that are often difficult to address with small-molecule drugs.

Given the important role of proteins in a variety of biological …

Electrolyte Development And Interfacial Reactions At Multivalent Metal Anode For Next Generation Energy Storage Systems, Leslie Gates

Graduate Masters Theses

The increasing demand for safe, sustainable, and high-performance energy storage systems has driven significant interest in multivalent-ion batteries, including aluminum, magnesium, and zinc-based systems. These technologies have attracted attention due to their high theoretical energy densities, natural abundance, low cost, and environmentally benign nature. However, their development remains hindered by a limited fundamental understanding of electrolyte development and interfacial processes at the electrode–electrolyte interface, where complex electrochemical interactions govern battery performance and stability.

This thesis investigates electrode–electrolyte interactions in both a novel aluminum electrolyte and divalent magnesium and zinc systems. Beginning with the development and characterization of a novel aluminum …

Synthesizing Viscoelasticity: Living Polymers, Micro-Macro Relations, And Paths For Resolution, Adam M. Hasler

Graduate Masters Theses

This thesis investigates the relationship between macroscopic rheological signals and underlying microscopic dynamics in complex fluids, specifically focusing on ”living polymers” within the cetyltrimethylammonium bromide (CTAB) and sodium salicylate (NaSal) surfactant system. The research addresses the inverse parameterization problem, demonstrating how bulk measurements like zero-shear viscosity can mask fundamentally different physical topologies, such as purely cylindrical, reptating micelles versus highly branched networks. Through the successful synthesis of viscoelastically ”degenerate” samples, the study utilizes an array of characterization techniques including frequency sweeps, Large Amplitude Oscillatory Shear (LAOS) to resolve these unique underlying states. Furthermore, the work explores further avenues of study …

Multicomponent Reaction-Initiated Synthesis Of Polyheterocyclic Compounds, Ashutosh Nath

Graduate Doctoral Dissertations

Efficient synthesis of novel heterocycles with biological interest remains a challenge in modern organic chemistry. This dissertation presents the development of efficient synthetic strategies that combine multicomponent reactions (MCRs) with sequential reactions for rapid access a diverse array of polyheterocyclic compounds. The projects are: 1) Groebke-Blackburn-Bienaymé (GBB) reaction followed by N-acylation and Friedel-Crafts (FC) cyclization for the construction of imidazopyridine- and indole-fused azepinones involving an unusual ring-expansion process. 2) Modified GBB condensation products for intramolecular Diels-Alder (IMDA) cycloaddition and dehydrative re-aromatization to access imidazopyridine-fused isoquinolinones. 3) Integration of the Ugi-three component reaction (Ugi-3CR) and Pictet-Spengler (PS) reaction followed by …

Correlative In Situ Nonlinear Optical Characteriztion Of Plasmonic Colloidal Nanoparticle Growth Dynamics, Stena C. Peterson

LSU Doctoral Dissertations

Colloidal noble metal nanoparticles are of extreme interest as nanomaterials and for the wide variety of their possible applications in nanomedicine. The unique linear and nonlinear optical processes associated with these nanomaterials can be studied using a variety of spectroscopic techniques including extinction, second harmonic generation (SHG), and two-photon fluorescence (TPF) spectroscopy. In order to better understand and optimize these nanomaterials for their desired applications, it is important to investigate the growth and photophysical dynamics associated with gold nanoparticles, silver-gold core-shell (Ag-Au CS) nanoparticles, and gold-silver-gold core-shell-shell (Au-Ag-Au CSS) nanoparticles in addition to how their size, surface morphology, composition. and …

Molecular Interactions Of The Gas–Solid Interface: Svocs On Swelling Clays And San Joaquin Soil Surfaces, Liesl T. Jensen

Electronic Theses and Dissertations

Soil-derived mineral dust plays an important role in atmospheric chemistry by acting as a reactive interface for gas–particle interactions that influence the fate and transport of organic contaminants. Among soil components, clay minerals dominate surface reactivity due to their high surface area, structural complexity, and the presence of chemically active sites arising from cation exchange capacity and surface acidity. Environmental conditions, particularly relative humidity, further regulate these interactions by altering surface accessibility and competitive adsorption processes.

Despite the recognized importance of mineral dust, gas-phase interactions between organic compounds and clay minerals remain insufficiently understood, particularly under atmospherically relevant conditions. This …

Compact 1 Ghz Electron Paramagnetic Resonance Spectrometers For Preclinical Imaging Studies, Tanden A. Hovey

Electronic Theses and Dissertations

Magnetic resonance is one of the most generally useful scientific techniques. New horizons of understanding are revealed as technological advances make possible explorations of nuclear spins and electron spins at higher and lower magnetic fields and electromagnetic frequencies. While the greatest current effort is on ever higher magnetic fields and microwave frequencies, both in nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR), the Eaton lab focusses on developing high signal-to-noise performance EPR at low microwave frequencies. EPR provides information about O2, pH, viscosity, glutathione concentrations, and reactive oxygen species in living organisms that MRI cannot. To yield clinically or …

Electronic Structure Discretization And Compression Using Diagonal Basis Sets, Casey Lee Dowdle

Dartmouth College Ph.D Dissertations

Numerically solving the electronic structure problem is a fundamentally difficult problem due to the exponential growth in the dimension of the Hilbert space as the system size increases. In order to solve problems at a chemically relevant accuracy, both the choice of basis set and numerical method are important factors that are intrinsically connected.

In this thesis, we study the discretization and resulting compression of electronic Hamiltonians using diagonal basis sets. A diagonal basis set approximately diagonalizes the matrix and tensor representations of the one- and two-body potentials. This can reduce storage, simplify matrix-vector products, and lower the complexity of …

Synthesis, Utilization And Biological Evaluation Of Β-Hairpin Peptides As Inhibitors Of Immune Checkpoints, Sarah Naylon

Electronic Theses and Dissertations 2020 - Present

Peptide therapeutics have emerged as promising alternatives to monoclonal antibodies because of their smaller size, improved tissue penetration, and synthetic versatility. Yet their broader application is often limited by poor structural stability, rapid clearance, and reduced target residence times. This dissertation describes the design, synthesis, structural characterization, and biological evaluation of β-hairpin peptides as inhibitors of immune checkpoints and as peptide vaccine scaffolds while developing strategies to overcome these limitations. At first a series of antibody-derived β-hairpin peptides (mimics of complementary determining region heavy-chain 3: CDR-H3s) as covalent inhibitors of the PD-1/PD-L1 immune checkpoint were investigated. Electrophilic warheads were incorporated …

Application And Development Of Continuum Treatments In Photodetachment Of Anions, Pratichhya Adhikari

Arts & Sciences Graduate Student Theses and Dissertations

This dissertation aims to provide deeper insight into understanding the dynamics of the photodetached electrons and the nature of the parent species. The dissertation provides examples of quasi-bound states of the anion embedded in the continuum of states associated with the neutral species, and shows how they manifest in experimental data, deviating from expectations of direct detachment. This dissertation is primarily computational and applies and develops electronic-structure and continuum models, respectively, and a newly implemented physical dipole treatment of the photoelectron to account for these resonances and to interpret experimental photoelectron imaging data. The content of the dissertation is divided …

Development Of Minimalist Trifunctional Building Blocks For Chemical Biology Probe Synthesis, Luke E. Bohrer

Electronic Theses and Dissertations

The completion of the Human Genome Project in 2003 generated expectations that genomic information would accelerate the discovery of new protein drug targets and FDA-approved therapies. However, many small-molecule drug candidates continue to fail in clinical trials, and much of the human proteome remains undercharacterized in terms of structure, function, and disease relevance. Chemical tools are therefore essential for defining protein function, mapping protein interactions, and identifying disease-associated molecular mechanisms. Among these tools, small-molecule chemical probes provide a powerful strategy for connecting biological activity with target identification, functional analysis, and the development of effective therapies.

This dissertation describes the development …

Assessing The Impact Dynamics Of Less Lethal Ammunition, Steven Bermejo

Student Theses

Less-lethal ammunition is widely used by law enforcement as an alternative to lethal force during crowd control, on-street confrontations, and other situations requiring force. Although these projectiles are intended to reduce risk of fatal injury, serious injuries and fatalities have been reported, highlighting the need to better understand the factors that influence their impact behavior. This study evaluated the impact dynamics of four types of 12-gauge less-lethal ammunition, including rubber buckshot, single rubber ball, double rubber ball, and Byrna kinetic projectile, using kinetic energy calculations derived from projectile mass and velocity measurements. In addition, Attenuated Total Reflectance Fourier Transform Infrared …

Real Bullets, Plastic Guns: Evaluating The Strength Of 3-D Printed Gun Parts, Maria Latenia Mayol

Student Theses

Privately made firearms (PMFs), often referred to as “ghost guns,” are firearms manufactured or assembled by individuals rather than federally licensed manufacturers. Although the terms are frequently used interchangeably, “ghost gun” more specifically describes an unserialized firearm, whereas PMFs include a broader range of firearms produced through nontraditional manufacturing methods. PMFs may be entirely 3-D printed, assembled from partially completed firearm kits, or constructed by integrating additively manufactured components with commercially manufactured firearm parts. The increasing accessibility of additive manufacturing and widespread dissemination of computer-aided design files have raised concerns about concealment, regulation, and forensic evasion, particularly when factory-manufactured components …

Effects Of Bidisperse Gold Nanoparticles On Near-Infrared Surface-Enhanced Raman Spectroscopy (Sers) In Quick-Freezing-Induced Gold Nanoparticle Aggregates (Qfiaas), Elissa M. Dojka

Forensic Science Master's Projects

Gold nanoparticle (AuNP) aggregates formed via rapid freezing in liquid nitrogen exhibit strong near-infrared (NIR) plasmonic coupling. These quick-freezing-induced AuNP aggregates (QFIAAs) form moderately sized, colloidally stable structures that remain suspended for over three months, supporting a variety of analytical applications. Mechanistically, QFIAA formation arises from the confinement of nanoparticles and ions within advancing ice grain boundaries during freeze-concentration. This mechanical crowding promotes extreme physical proximity while simultaneously elevating local ionic strength, which screens electrostatic barriers to drive the assembly of dense, tightly coupled plasmonic networks.

This study investigates the plasmonic and surface-enhanced Raman scattering (SERS) behavior of bidisperse QFIAA …

Analysis Of Terpenes In Cannabis Flowers Using Gas Chromatography Via Headspace-Solid Phase Microextraction (Hs-Spme), Hannah I. Bergner

Forensic Science Master's Projects

As cannabis commercialization grows, rigorous profiling of cannabinoids, terpenes, and chemical contaminants is legally required for industry standardization and consumer safety. Terpenes are highly volatile components that dictate the unique aromatic profiles and therapeutic properties of cannabis via receptor pathways. This project focused on a gas chromatography-flame ionization detector/mass selective detector (GC-FID/MSD) combined with headspace-solid phase microextraction (HS-SPME) sampling to analyze terpenes present in four cannabis samples. Cannabis samples were tightly sealed in vials (10 mL) and heated to vaporize terpenes in the headspace above the samples, followed by the extraction of the vaporized terpenes using a polydimethylsiloxane (PDMS)-coated SPME …

Quantitative Surface-Enhanced Raman Spectroscopy For Antiretroviral Drug Monitoring: Novel Quality Index And Distributional Approaches In Aqueous And Plasma Matrices, Marguerite Rose Butler

Chemistry & Biochemistry Theses & Dissertations

Surface-enhanced Raman spectroscopy (SERS) offers high sensitivity for molecular detection but is limited for quantitative applications by spatial heterogeneity in signal enhancement on dried colloidal substrates. This Dissertation addresses these limitations through the development and evaluation of novel quantitative methods applied to the antiretroviral drugs tenofovir and emtricitabine.

A quality index (Qi) metric was developed to rank individual SERS spectra within each well based on analyte peak prominence relative to local baseline. SERS spectra were acquired from evaporated silver colloid deposits on aluminum well plates using a custom raster-scanning Raman system. Calibration curves were constructed using the top-ranked spectra (Top-Qi …

Pesticide Dissipation In Agroecosystems – Exploring Pesticide Fate And Transport Mechanisms To Protect Alternative Pollinators, Calvin Luu

All Graduate Theses and Dissertations, Fall 2023 to Present

Honey bees are the most well-known pollinators, but there exists thousands of other bee species that contribute to pollination; one such group of bees are the solitary bees. True to their namesake, solitary bees do not live in hives like honey bees. Some solitary bees, like alfalfa leafcutting bees (ALCB) and blue orchard bees, can pollinate crops more efficiently than honey bees. However, since they live solitary lives, pesticide exposure is much more harmful to their overall population. If one honey bee dies from pesticide exposure, the hive can still survive, and the queen bee will continue producing offspring. If …

Method Validation Of The Cdc Bottle Bioassay And A Historical Record Of Polycyclic Aromatic Hydrocarbons In Glacier National Park, Evah F. Peard

All Graduate Theses and Dissertations, Fall 2023 to Present

Certain contaminants can persist in the environment for long periods of time, build up within living tissues, travel far from their origin, and harm both ecosystems and organisms. This thesis focuses on two types of contaminants: insecticides and polycyclic aromatic hydrocarbons (PAHs). Insecticides are manufactured to control pests while PAHs are found in oil and gas products and can be produced by industry, vehicle engines, and wildfires. Understanding how harmful these contaminants are and where they end up in the environment is critical for protecting environmental health.

First, I evaluated a widely used test developed by the Centers for Disease …

Developing Solvent Tolerant Microbial Membranes: Lipid Extraction And Laurdan Fluorescence Approaches For Biofuel Optimization, Gladstone Anku

Electronic Theses and Dissertations

The high demand for sustainable energy has increased interest in advanced biofuels, though production is limited by solvent toxicity to microbial hosts. This study investigated the role of lipid composition in modulating membrane fluidity and solvent tolerance using Bacillus subtilis as a model organism. Five strains were cultured, and membrane lipids were extracted and analyzed using thin-layer chromatography and gas chromatography–mass spectrometry; however, inconsistent results limited compositional characterization. To address this problem, reconstituted vesicles composed of phosphatidylglycerol (PG) and phosphatidylethanolamine (PE) were used as model membranes. Membrane fluidity was assessed using Laurdan fluorescence spectroscopy by measuring generalized polarization (GP) values …

Synthesis And Characterization Of Carbon Quantum Dots And Gold Nanoparticles For Norovirus Biosensing Applications In Water Systems, Breanne Evans

Master's Theses

Rapid, reliable detection of viral pathogens remains a significant challenge across water-treatment and environmental monitoring systems, including drinking-water, wastewater, water reuse, and environmental surveillance applications. Waterborne viral contamination can pose substantial public-health risks, making early detection essential for protecting water quality and responding quickly to treatment failures or contamination events. Direct potable reuse (DPR) is one particularly demanding example because it requires continuous verification of treatment performance and the broader need for rapid virus monitoring extends across many water-treatment and environmental surveillance applications. Norovirus is a priority target because of its widespread occurrence in wastewater, environmental persistence, and exceptionally low …

Imaging Oxygen Near Implanted Medical Devices Through Tissue With X-Ray And Ultrasound Modulated Luminescence Chemical Imaging, Vigjna Abbaraju

All Dissertations

Oxygen plays a crucial role in stem cell maintenance, tissue regeneration, disease progression, and treatment efficacy. For example, understanding oxygen dynamics within implanted medical devices, such as bone scaffolds, is essential for successful tissue regeneration and can serve as an early indicator of infection. The existing oxygen sensing and imaging techniques are often limited by narrow imaging depth, low spatial resolution in vivo resulting in poor understanding of oxygen dynamics in tissue microenvironments. This dissertation describes the development of implantable sensors using X-ray scintillators and thermochromic leuco dye paired with phosphorescent oxygen dye (PtTFPP) to image oxygen using X-ray luminescent …

Nanostructured Insulated Electrodes For Directed Nanoparticle Assembly: Development And Characterization, Thomas F. Burgess

All Dissertations

Nanoparticles exhibit unique properties dependent on their size, shape, and arrangement that are critical for sensing applications, such as the localized surface plasmon resonance of silver nanoparticles. Therefore, control over their assembly facilitates control over these properties. For this purpose, nanostructured insulated electrodes were developed and characterized for directed assembly of nanoparticle clusters. Electrode characterization required a new method for relative electric field quantification from electric force microscopy (EFM) measurements, implemented via an extended Hudlet model to estimate the field between the sample and the EFM probe apex. Restricting analysis to the apex – sample interaction improves spatial resolution and …