Other Chemistry Commons^™

Composition And Rich/Lean Loading-Dependent Density Measurements Of A Series Of Aqueous Ionic Amines For Co2 Capture, Claudia Nguyen

Honors Theses

As climate change worsens worldwide, there is a drive to develop more efficient and sustainable methods to mitigate its impact through carbon capture methods like carbon dioxide scrubbing. Carbon scrubbing directly captures carbon dioxide (CO2) emissions from industries or power plants before they are released into the environment. The CO2 captured can be utilized for various applications or can be stored underground. However, this method faces numerous challenges, such as the degradation of the solvent or corrosion of equipment. As a result, research has expanded to find a better medium to overcome these issues. In particular, aqueous ionic amines (AIA) …

Toxicity And Biodegradability Of Novel Boronium Vs Conventional Ammonium-Based Antimicrobial Compounds In Wastewater Treatment Systems, Noor Shalan

Honors Theses

Quaternary ammonium compounds (QACs) are highly effective as disinfectants, herbicides, and pesticides; thus, overuse causes elevated levels of residual toxicity in domestic and industrial wastewater. QACs can be toxic to essential bacteria breaking down pollutants in wastewater treatment plants (WWTPs) and can remain untreated in effluent, harming the environment, and contributing to antibiotic resistance, posing risks to human health. Novel boronium-based antimicrobial compounds have demonstrated efficacy in eliminating bacteria, fungi, and viruses. If the boronium compounds exhibit lower residual toxicity, they could offer a promising alternative to QACs. Because these compounds are still in development, their potential toxicity to the …

Predicting PkA Of Flexible Polybasic Tetra-Aza Macrocycles, Tatum K. Harvey, Kristof Pota, Magy Mekhail, David M. Freire, Donatus A. Agbaglo, Benjamin G. Janesko, Kayla N. Green

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We present physics-based pK_a predictions for a library of tetra-aza macrocycles. These flexible, polybasic molecules exhibit highly charged states and substantial prototropic tautomerism, presenting a challenge for pK_a prediction. Our computational protocol combines CREST/xTB conformational sampling, density functional theory (DFT) refinement in continuum solvent, and a linear empirical correction (LEC). This approach predicts known tetra-aza macrocycle pK_a to within a root-mean-square deviation 1.2 log units. This approach also provides reasonable predictions for the most stable protomers at different pH. We use this protocol to predict pK_a values for four novel, synthetically achievable, …

In Memoriam - Nora Sabelli: Master Orchestrator Of Grant Programs And Mentor For Advancing The Interdisciplinary Learning Sciences Field, Eric Hamilton, Jeremy Roschelle, Roy Pea, Barbara Means, Louis Gomez, Kim Gomez, Nancy Butler Songer

Education Division Scholarship

On Friday, September 6, 2024, the learning sciences field lost a giant in Dr. Nora Sabelli, 87 years old, a personal mentor to many researchers and an inspiration to so many learning scientists and STEM leaders. Nora’s first professional career was as a computational chemist, and later she became a passionate leader in research for improving STEM education. Nora’s time as a senior program officer at the National Science Foundation’s (NSF) Education and Human Resources (EHR) directorate was legendary; she was a force of nature who reshaped funding priorities for stronger science and a stronger connection of science to education …

Demystifying Misconceptions In Introductory Undergraduate Chemistry Education With 3d Printed Molecular Orbitals, Hiwot Endeshaw, Daniel J. O'Leary

Pomona Senior Theses

Spatial abilities are invaluable skills for the science, technology, engineering, and mathematics (STEM) subjects. However, women, people from low socioeconomic backgrounds, and ethnic minorities are more likely to have less developed spatial abilities, which is one of the many contributing factors for the lack of diversity in STEM subjects like chemistry. Teaching spatial skills to undergraduate chemistry students may address this issue and help increase the diversity of students who go on to continue their education in the subject. 3D printing technology in higher education has exploded in recent years, presenting a unique opportunity to teach “hard to grasp” concepts …

Phytochemistry Of Dalea Candida Var. Oligophylla, Ryan E. Galperin

All Master's Theses

The focus of this project was the plant Dalea candida and its phytochemistry. The plant compounds were isolated and purified by an array of chromatographic techniques. The structures of the pure compounds were determined by one-dimensional and two-dimensional ¹H and ¹³C NMR spectroscopy, supported by infrared and ultraviolet spectroscopy, experimental and calculated circular dichroism spectroscopy, and mass spectrometry. Plant parts were worked on separately since they typically differ in content. Purified compounds will be tested for biological activities. Based on our results, eight new or known compound were isolated, specifically four new compounds and four known compounds. Compound …

Effects Of Chain Length, Saturation, And Bases On Saponification, Sarah Fenik

Williams Honors College, Honors Research Projects

This project will analyze the effects of chain length and saturation of fatty acids on saponification processes, as well as the effects of the base used in the reaction. Stearic acid, lauric acid, and oleic acid will be used for the fatty acid comparisons, and sodium hydroxide and potassium hydroxide will be used for the base comparisons. Stearic acid is considered a long chain fatty acid, while lauric acid is considered a short chain fatty acid. Oleic acid is a monounsaturated fatty acid. Five soap products are be made: sodium stearate, sodium laurate, sodium oleate, potassium stearate, and potassium oleate. …

Structural Optimization And Stability Enhancement Of Uba(2) And Ntl9 Using The Computational Tool: Emcast, Bahar Ghazi Esfahani

Graduate Student Theses, Dissertations, & Professional Papers

This study enhances protein stability prediction by refining EmCAST (Empirical C-Alpha Stability Tool), a computational tool used to identify stabilizing mutations in protein domains. We applied EmCAST to two model proteins: the α-helical ubiquitin-associated domain 2 (UBA(2)) and the α/β N-terminal domain of ribosomal protein L9 (NTL9). Protein stability is critical for proper function, and mutations can lead to misfolding and disease. To validate EmCAST’s predictions, guanidine hydrochloride-induced denaturation was monitored using circular dichroism (CD) spectroscopy for both wild-type and mutant variants. Results guided refinements to EmCAST’s algorithm, incorporating new experimental datasets to improve accuracy. Additionally, we examined the assumption …

An In-Depth Analysis And Comparison Of Eco And Non-Eco Surfboard Waxes, Markos Kaskaneas - Efthymiou

The Plymouth Student Scientist

Questions regarding the sustainability of petroleum-based surfboard waxes gave rise to the development and marketing of a sustainable alternative called “Eco” surf wax. The chemistry behind surf waxes is generally unknown and there is no published research on the area of surf waxes. In this analysis, the chemical properties of both types of waxes were investigated, to determine the difference between non-eco and eco waxes and between different water temperature rating waxes. 15 surf wax samples (10 non-eco, 5 eco) were extracted into organic and inorganic fractions and analysed by FT-IR, GC-MS, and HTGC-FID/MS. Multivariate statistical analysis was also performed. …

Studying Organic Chemistry Students’ Scientific Modeling Practices Through A Semi-Structured Interview, Daniel Mays, Morgan Balabanoff

The Cardinal Edge

Many areas of natural science deal with unobservable phenomena. Scientists develop and use models to make sense of these aspects of nature. Chemistry is certainly no exception – in fact, given the molecular nature of chemical interactions, the modern understanding of chemistry is largely based on well-established scientific models. Because models are so important in chemistry, understanding how students develop and use models in the learning process stands to offer key insights into how to better teach chemistry. This project is focused on exploring how students of organic chemistry develop and use scientific models to predict the outcome of reactions. …

Investigating Factors Influencing Science Student Retention, Hayley Benson, Morgan Balabanoff

The Cardinal Edge

Retention in and across STEM degrees has been a significant problem across institutions. By the time students have reached their third year, the University of Louisville has lost over 50% of the students who entered as first-year students.

The main objective of this study is to investigate variables such as sense of belonging, student’s mindset, and science identity and their relationship with retention in STEM degrees. While many studies have identified gaps among student groups across these variables, few studies have generated solutions to address these gaps. Further, the proposed solutions are often from the viewpoint of researchers and upper …

Editorial: Leveraging Multi-Omics Approaches To Understand And Manage Gastrointestinal And Hepatic Diseases, Isis Trujillo-Gonzalez, Paul G. Thomes, Isin Tuna Sakallioglu, Kusum K. Kharbanda

Department of Chemistry: Faculty Publications

The Research Topic “Leveraging multi-omics approaches to understand and manage gastrointestinal and hepatic diseases” proposed by the Frontiers in Pharmacology has attracted a total of four articles on preclinical studies that were covered in three original research manuscripts and one review article. Two research articles were on metabolic dysfunction-associated steatotic liver disease (MASLD), previously named non-alcoholic fatty liver disease (NAFLD), which is now recognized as a predominant cause of chronic liver disease worldwide, affecting over 30% of the adult population (Teng et al., 2023; Miao et al., 2024). Current pharmacological treatments for MASLD are limited and, until a recent FDA-approved …

Characterization Of Aromatic Stationary Phases For Uses In High Performance Liquid Chromatography, Anastasia Davis

Honors Theses

High Performance Liquid Chromatography (HPLC) is an analytical chemist technique used to separate a sample into its components to characterize and study a specific molecule or compound. Traditionally, High-Performance Liquid Chromatography in different industries, such as the environmental and pharmaceutical fields, uses stationary phases that are already well characterized, such as the C18 stationary phase for separation. However, aromatic stationary phases have recently been produced, which have phenyl groups bonded to the interior surface of the column. Still, they have not been well characterized because of how modern they are. This project characterized several aromatic stationary phases (Biphenyl, pentafluorophenyl, and …

Enzyme Encapsulation Within The Hk97 Virus-Like Particle: An Investigation Of Substrate Inhibition Kinetics Within A Confined And Crowded Environment, Joseph B. Lively

Chemistry Theses

Substrate inhibition is a paradoxical phenomenon observed in enzyme kinetics where increasing substrate concentrations lead to a marked decrease in the rates of enzyme-catalyzed reactions. Affecting an estimated 20% of studied enzymes, substrate inhibition poses significant challenges to the understanding of their function in essential biological processes and to their exploitation in industrial and therapeutic contexts. Studies show substrate inhibition to be a real limitation in vitro and rational conclusions have been drawn to explain the relevance of substrate inhibition in the self-regulation of biological pathways. However, there is currently no consensus on what role substrate inhibition plays in vivo …

Development And Validation Of A Chemistry Laboratory Safety Knowledge, Attitudes, Practices, And Mindset Questionnaire, Claudine Garcia, Genejane Adarlo, Anna Carissa San Esteban, Armando M. Guidote

Health Sciences Faculty Publications

Accidents in chemistry laboratories can be prevented by fostering a safety culture - the institution’s knowledge, attitudes, practices (KAP), and mindset regarding laboratory safety. To effectively promote a safety culture, robust tools are essential for evaluating safety KAP and mindset. Hence, this study developed and validated a questionnaire that can rapidly measure laboratory safety KAP and mindset to guide targeted interventions aimed at enhancing the safety culture in chemistry laboratories. The study was drawn from existing validated questionnaires in constructing a tool comprising 40 items that can measure the safety KAP and mindset in chemistry laboratories. Using a cross-sectional design, …

Microfiltration Membrane Pore Functionalization With Primary And Quaternary Amines For Pfas Remediation: Capture, Regeneration, And Reuse, Sam Thompson, Angela Gutierrez, Jennifer Bukowski, Dibakar Bhattacharyya

UK CARES Faculty Publications

The widespread production and use of multi-fluorinated carbon-based substances for a variety of purposes has contributed to the contamination of the global water supply in recent decades. Conventional wastewater treatment can reduce contaminants to acceptable levels, but the concen- trated retentate stream is still a burden to the environment. A selective anion-exchange membrane capable of capture and controlled release could further concentrate necessary contaminants, mak- ing their eventual degradation or long-term storage easier. To this end, commercial microfiltration membranes were modified using pore functionalization to incorporate an anion-exchange moiety within the membrane matrix. This functionalization was performed with primary and …

The Reveal: A Technical Study And Conservation Treatment Of An Overpaint Portrait, Camille Ferrer

Art Conservation Master's Projects

A severely damaged 19th-century oil painting depicting a portrait of a woman was treated at Patricia H. and E. Garman Art Conservation Department. A typed letter provided by the owner mentioned that it has been previously restored yet returned with unsatisfactory results. After further examination, the painting appeared to have been previously treated multiple times by different people. There was overpaint distinctly present on the face and later discovered to be present overall. The full state of condition of the painting was initially unknown due to the sum of the surface being overpainted. However, there were evidence of paint loss …

Rna Secondary Structures: Structure-Function Studies In Viral And Neurodegenerative Diseases, Caylee Cunningham

Electronic Theses and Dissertations

The studies within this dissertation highlight the importance of RNA structure and function, highlighting potential mechanisms in the pathogenesis of the SARS-CoV-2 virus and hallmarks of ALS. Specifically, the s2m, a 41-nt structure found within the hyper variable region of the 3’ UTR of the SARS-CoV-2 virus, was investigated as this element has no definitive role in viruses but its high conservation in several viral families warrants investigation. We used various biophysical techniques to determine if a palindromic sequence in the terminal loop could participate in dimerization activities, which may have implications in recombination and the longevity of the virus. …

Agnotology Of The E-Cigarette Industry: How The E-Cigarette Industry Continues The Tobacco Industry's Legacy Of Creating Controversy And Confusion Within The Scientific Community And The General Population, Calvin Lewis

University Honors Theses

The purpose of this paper is to determine the extent to which the e-cigarette industry follows in the footsteps of the tobacco industry's attempts to disrupt science and cause controversy. Four tactics are described that the tobacco industry uses to disrupt science: funding research that is designed to show results that support their position, criticizing and suppressing research that goes against their position, changing risk assessment and scientific research standards to fit their aims, and spreading data created by their interest groups to politicians and the nonacademic press. Evidence is found to show that both the tobacco industry and e-cigarette …

Assessing The Reactivity Of Amino Acids To Chlorination Using Capillary Electrophoresis, Pedro De Allende

Electronic Theses, Projects, and Dissertations

Amino acids (AA) are ubiquitous in wastewater systems. One of the most popular wastewater treatments is chlorination which is effective at eradicating bacteria and overall treating the wastewater, but it can also produce disinfection by-products (DBPs). Certain DBPs have been classified as Class B Carcinogens to humans and are therefore highly regulated and monitored. Past studies have shown that natural organic matter (NOM), specifically amino acids, can be precursors to DBPs if chlorinated to the correct dose. This thesis project explored AA chlorination's mechanism(s) to understand further which products arise. In particular, the investigation detailed which steps of the mechanism …