Other Chemistry Commons^™

In Vitro Pharmacological Evaluation Of Novel Cmpi Derivatives As Selective Positive Allosteric Modulators Of The Alpha4 Beta2 Nicotinic Acetylcholine Receptor, Josue Gaona, Nataly Sanchez, Wilder Felix, Nathalia Menegasso, Brisa Cea, Ganesh Thakur, Ayman K. Hamouda

School of Medicine Student Publications and Presentations

Nicotinic acetylcholine receptors (nAChRs) contribute to the pathogenesis of neurodegenerative diseases such as Parkinson’s disease (PD), where degeneration of dopaminergic and cholinergic neurons disrupts neurotransmission. The (α4)₃(β2)₂ nAChR subtype is expressed on affected neuronal populations and represents a promising therapeutic target. Positive allosteric modulators (PAMs) may enhance receptor function while preserving endogenous signaling. We evaluated chemical derivatives of CMPI [3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazol] as selective PAMs of (α4)₃(β2)₂ nAChRs. Two-electrode voltage-clamp recordings were performed in Xenopus laevis oocytes expressing defined receptor stoichiometries to assess potentiation and generate dose–response curves. Cytotoxicity was assessed in HEK cells using the MTT assay. Substitutions at the pyrazole …

Representing The Apparatus In Nineteenth And Twentieth Century Chemical Abstracting Literature, Evan F. Kuehn

Proceedings from the Document Academy

The rise of abstracting services in the 20th century is usually associated with the explosion of original scientific research and its attendant journal literature. The abstract was a tool of information dissemination and access for increasingly expansive and international work. What is often overlooked, however, is the correlation between original research and the technologies that made these advances available. Scientific apparatuses were, however, documented from the beginning, and were also a part of the rise of abstract literature in the 19^th and 20^th centuries. In this paper I examine the development of abstracts for apparatuses and patents in …

Design Of Lithium-Based Battery Electrolyte Compositions For Extreme Operating Conditions Using Alternative Solvents, Co-Solvents And Additives, Michael J. Keating

Dissertations, Theses, and Capstone Projects

Lithium-ion battery utilization is widespread due to relatively high capacity and long cycle life. Advanced technologies have specific demands of their energy storage devices that traditional Li-ion batteries are unable to meet. Lithium-ion batteries utilize a graphite anode which has a limited theoretical capacity. Traditional lithium-ion batteries also utilize flammable solvents in their electrolyte mixtures. Due to the flammable electrolyte, lithium-ion batteries are not considered practical for large scale applications. Additionally, the lithium-ion battery has a narrow optimal operating temperature window. The temperature limitation of lithium-ion batteries leads to issues for many applications such as operating in extreme temperature environments, …

Identification Of Modified Polymer End Groups For Correlations To Physical Properties, Tj Sacco

Williams Honors College, Honors Research Projects

Plastic has become the primary material for containers in both industrial and commercial fields. Plastics are the optimal choice since they have many physical properties that make them ideal candidates: durability, heat resistance, chemical stability, as well as their inexpensive production cost. Nowadays, the desire for more versatile plastics with strength, flexibility, hydrophobicity, and biodegradability has grown; however, concerns for plastic use have started to rise as well. The overuse of plastics poses a threat to the environment and people’s health: plastics are hard to break down completely which results in the formation of micro(nano)plastics (MNPs). In attempts to circumvent …

Student Familiarity With The Periodic Table Of The Elements: Results From Cued-Recall And Eye-Tracking Assessments On Memory, Victor A. Okuo

Theses and Dissertations--Chemistry

Learning element symbol–name associations and the spatial organization of elements on the periodic table is a foundational step in learning chemistry, supporting later understanding of chemical formulas, equations, bonding, and stoichiometry. Although students often rely on memorization strategies to learn periodic table content, this task is challenging due to the large number of elements and the apparent ambiguity in matching some element symbols to their names.

This study explores students’ recall of element names when given element symbols as cues and their knowledge of element locations on the periodic table when given element names as cues. The study also examines …

Flexible Membrane Electrodes For Use In High-Capacity Lithium-Ion Batteries, David A. Denemark

College of Graduate Studies: Theses & Dissertations

Wearable electronic devices require high-capacity flexible batteries to improve user comfort and increase usage time per charge. In this thesis, flexible lithium-ion battery (LIB) electrodes are prepared using a novel and scalable phase inversion method, embedding one-dimensional SnO₂ nanowires and double-walled carbon nanotubes within a porous polyacrylonitrile asymmetric membrane. The optimized electrode delivered an initial specific discharge capacity of 915.93 mAh g⁻¹, approximately 2.5 times greater than conventional graphite anodes, with 61.99% capacity retention after 45 cycles. The incorporation of a carbon mesh substrate further enhanced both electrochemical and mechanical performance, achieving 89.46% capacity retention after 45 cycles and a …

The Chemistry Of Red Lipstick: The Impact Red Lipstick Has On Society, Lilliana Weldeslassie

Electronic Theses & Dissertations (2024 - present)

Cosmetic chemistry is deeply embedded in everyday life, shaping the products people use from morning to night. Among these, red lipstick stands out as a formulation that blends complex chemistry with a cultural meaning. This thesis examines the scientific foundations of red lipstick through its chemical composition, pigment structure, toxicological history, analytical methods, and evolving sustainability practices. Historically, red lipsticks relied on high-risk ingredients such as lead, mercury, and other toxic metals, reflecting an era before chemical safety and regulatory oversight were incorporated.²¹ Modern formulations have established safer synthetic dyes, natural waxes, plant-based oils, and stabilizers created to optimize …

Dynamic, Reconfigurable, And Hierarchical Biosynthetic Composites Via Collagen Self-Assembly Within Highly Crowded Microgel Pastes, Elif Narbay, Abbygail Caine, Sanika Pandit, Gabrielle Montgomery, Marion Harper, E. Daniel Cárdenas-Vásquez, Hatte Hamilton, Megan Hicks, Daniel Mattar, Kyle Choy, Marco Bisoffi, L. Andrew Lyon

Engineering Faculty Articles and Research

The fabrication of a new class of biomimetic biomaterials is reported using nanostructured microgel pastes formed from “overpacked” assemblies of ultrasoft poly(N-isopropyl acrylamide-co-acrylic acid) microgels and their composites with collagen. Despite the solid-like nature of microgel pastes, collagen fibrillogenesis is robust and rapid, with a 3D collagen network forming throughout the paste volume. Structural organization within the composite is interrogated via a suite of microscopy methods, while rheological characterization provides insight into the static and dynamic mechanical properties of the materials. Long-range fibrillogenesis is enabled by local crowding, dynamics, and spatial reconfigurability of pastes at the …

Experimental And Anharmonic Theoretical Spectroscopic Benchmarks Of Nitrogenated And Doubly-Nitrogenated Polycyclic Heterocycles, Selma Bejaoui, Brant E. Billinghurst, Christiaan Boersma, Vincent J. Esposito

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

In this study, we report the first high-resolution gas-phase infrared absorption spectra and anharmonic vibrational simulations for three nitrogenated aromatic molecules, namely indole (C₈H₇N), 1,5-diazabicyclo[4.3.0]non-5-ene (DBN; C₇H₁₂N₂), and 1,8- diazabicyclo[5.4.0]undec-7-ene (DBU; C₉H₁₆N₂) with excellent agreement between measurement and computation. Anharmonic cascade emission spectra (2–8 eV) of the three systems show that nitrogen substitution strongly modifies the emission spectra: indole reproduces the unidentified 3.3 μm emission in Titan’s atmosphere, while DBN and DBU exhibit redshifted aliphatic C–H stretches. In the 5–10 μm region, …

Substituted Piperidines As (Alpha4)3(Beta2)2 Nicotinic Acetylcholine Receptor Positive Allosteric Modulators: In Vitro Pharmacology, Nataly Sanchez, Josue Gaona, Wilder Felix, Nathalia Menegasso, Brisa Cea, Ganesh Thakur, Ayman K. Hamouda

School of Medicine Student Publications and Presentations

Nicotinic acetylcholine receptors (nAChRs) play a crucial role in the pathogenesis of neurodegenerative diseases such as Parkinsonʼs disease (PD). In PD, degeneration of dopaminergic and cholinergic neurons impairs neurotransmitter release, leading to cognitive and motor dysfunction. Current treatments provide only symptomatic relief, highlighting the need for novel therapeutic strategies. The (α4)₃(β2)₂ subtype of nAChRs is expressed on affected neurons, making it a promising druggable target for enhancing neurotransmitter release and providing neuroprotection. To explore the therapeutic potential of positive allosteric modulators (PAMs) of (α4)₃(β2)₂ nAChRs, we evaluated chemical derivatives of CMPI [3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole]. We used two-electrode voltage-clamp recordings from Xenopus laevis …

Instability Of The Octahedral Symmetry In Si8o12h8 And Ge8o12h8: A Consequence Of The Pseudo-Jahn–Teller Effect, Jules Tshishimbi Muya, Arnout Ceulemans, Carol A. Parish

Chemistry Faculty Publications

The symmetry breaking in octahedral silsesquioxane and its germanium analogues (Si8O12H8 and Ge8O12H8) has been investigated using the M06-2X/6-31++G(3df, 3pd) method and group theory. Both structures undergo  symmetry breaking, characterized by pseudo-Jahn−Teller stabilization energies of 0.22 kcal/mol for Si-POSS and 9.82 kcal/mol for Ge-POSS. Under the influence of the pseudo-Jahn–Teller effect, the distortion vector involves the vibrational a2g mode with imaginary frequency. The distortion forces in Oh-POSS are predominantly localized on the oxygen atoms and driven by the coupling between the lowest unoccupied molecular orbital (a1g) and the highest occupied molecular orbital (a2g). The symmetry breaking is attributed to a …

Assembly Of Non-Close-Packed Poly(N-Isopropylacrylamide) Microgels On Metal Halide Perovskite Films, Amal Alruwaili, Osama M. Alkhudhari, Ran Wang, Zhenyu Jia, Jennifer M. Saunders, Eugenio Picheo, Daniel T.W. Toolan, L. Andrew Lyon, Brian R. Saunders

Engineering Faculty Articles and Research

Hypothesis

Experiments

Insights Into The Radiation Chemistry Of Flash Radiation Therapy, Alan E. Lopez Hernandez

Dissertations and Theses (Open Access)

Purpose: FLASH radiation therapy (FLASH-RT) is an emerging modality that delivers radiation at ultra-high dose rates (UHDR) and has shown consistent normal tissue sparing while preserving tumor control compared to conventional RT—a phenomenon termed the FLASH effect. Despite promising results, the mechanisms behind the FLASH effect remain unclear. Many hypotheses point to radiolytic interactions, but experimental validation is limited. This work aims to develop a robust experimental platform to evaluate the relationship between radiolytic species production and physical beam parameters relevant to FLASH-RT, alongside dosimetry tools for reliable UHDR beam characterization.

Methods: A beam collector (BC) Faraday cup detector was …

Applying The Learning Cycle To Introduce Research Practices In General Chemistry Lab, Teresa J. Bixby, Matthew Kubacki, Jasmine Casanova

Chemistry Department Faculty Conferences

CUREs are a great way to engage students in research practices but can be onerous for instructors and teaching assistants to administrate and facilitate. There is added challenge in providing research experiences to students at the introductory level when they have developed limited knowledge and skills. Here we describe a more structured approach that applies the learning cycle to a traditional experiment to allow students to explore the technique, “invent” the parameters for systematic analysis, and apply the technique to a researchable question of their own construction.

The Critical Plastocapillary Number For A Newtonian Liquid Filament Embedded Into A Viscoplastic Fluid, Mohammad Tanver Hossain, Wonsik Eom, Arjun Shah, Andrew Lowe, Douglas Fudge, Sameh H. Tawfick, Randy Ewoldt

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The yield stress of a viscoplastic material can stabilize an embedded fluid tunnel against capillarity-induced breakup, enabling remarkable technologies such as embedded 3D printing of intricate, freeform, and small components. However, there is persistent disagreement in the published literature between the observed minimum stable diameter, 𝑑min, and the theoretical plastocapillary length 𝑝𝑐 = 2𝛤∕𝜎𝑦, with interfacial tension 𝛤 and bath yield stress 𝜎𝑦, leading to a prior hypothesis that the apparent surface tension 𝛤 is much smaller to enforce 𝑑min = 𝑝𝑐 . Here we introduce and experimentally test a new hypothesis that the critical diameter is set by the …

Ensemble-Based Binding Free Energy Profiling And Network Analysis Of The Kras Interactions With Darpin Proteins Targeting Distinct Binding Sites: Revealing Molecular Determinants And Universal Architecture Of Regulatory Hotspots And Allosteric Binding, Mohammed Alshahrani, Vedant Parikh, Brandon Foley, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

KRAS is a pivotal oncoprotein that regulates cell proliferation and survival through interactions with downstream effectors such as RAF1. Despite significant advances in understanding KRAS biology, the structural and dynamic mechanisms of KRAS allostery remain poorly understood. In this study, we employ microsecond molecular dynamics simulations, mutational scanning, and binding free energy calculations together with dynamic network modeling to dissect how engineered DARPin proteins K27, K55, K13, and K19 engage KRAS through diverse molecular mechanisms ranging from effector mimicry to conformational restriction and allosteric modulation. Mutational scanning across all four DARPin systems identifies a core set of evolutionarily constrained residues …

Ph Dependent Structural Characterization Of Ich Ensembles Needed For Catalysis, Kevin C. Prososki

Honors Program: Senior Projects (Public)

No abstract provided.

Complementary Design Of Optical And Photochemical Systems, Joshua Plank

Chemistry Theses and Dissertations

The ability to manipulate chemical systems has been prized through history as the bridge between the macroscopic and microscopic worlds. As an example, the camera obscura has arguably existed since the earliest days of humanity; however, it was the discovery of early silver halide chemistry that lead to the ability to fix these images into the earliest photographs. In modern photolithography employed in electronics manufacturing, the primary resolution limits arise not from the chemistry of the molecules involved, but from the limits of the systems used to project light. Thus, as much as photochemistry advances, optical imaging and projection techniques …

Trade-Off Between Limonene & Geraniol-Based Reprocessable And Non-Reprocessable Epoxy Thermosets: Role Of Aliphatic Diamines In Polymer Networks Design, Priyankkumar Kanubhai Patel

Electronic Theses & Dissertations

The growing demand for sustainable materials, driven by environmental concerns and the rapid depletion of fossil fuels, has garnered significant attention in the fabrication of bio-based epoxy thermosets as renewable alternatives to petroleum-derived thermosetting polymers. The present study focuses on the synthesis and characterization of epoxy prepolymer resins derived from limonene and geraniol via a two-step process, followed by the fabrication of thermally cross-linked flexible epoxy thermoset films using various traditional aliphatic diamine curing agents, namely 1,2-ethylenediamine (EDA), 1,4-butylenediamine (BDA), and 1,6-hexamethylenediamine (HDA). Additionally, the incorporation of cystamine, a disulfide-containing diamine, enabled the formation of a covalent adaptable network through …

Binary Solid/Liquid Equilibrium Of Mixtures Of Thermally Robust Salts And Molecular Compounds For Use As Heat Transfer Fluids, Jared Ridge Mathews

Honors Theses

Fossil fuels, contributors to climate change that may bear catastrophic consequences, power the entire world. The human species is almost entirely dependent on fossil fuels for energy, but other sources of renewable and environmentally friendly energy must be developed. Concentrated solar power (CSP) is a promising source of renewable energy with hampered potential—better heat transfer fluids (HTFs) are needed for it to be economically feasible. Currently, the HTFs in industrial use are predominantly either synthetic oils or nitrate-based molten salts. Synthetic oils are only stable up to 400 °C, and molten salts often have high melting temperatures, making them prone …