Physical Sciences and Mathematics Commons^™

Chemistry In The City Module, Ji Kim

Open Educational Resources

This project integrates a historical environmental health report from the CUNY Digital History Archive into an online Introductory Chemistry course to connect core chemical concepts with real urban pollution issues. Students analyze perchloroethylene contamination in apartments above dry cleaners, apply concepts such as volatility, vapor pressure, and concentration units, and reflect on chemical principles underlying indoor air pollution.

Chemistry In The City Module, Ji Kim

Open Educational Resources

This project integrates a historical environmental health report from the CUNY Digital History Archive into an online Introductory Chemistry course to connect core chemical concepts with real urban pollution issues. Students analyze perchloroethylene contamination in apartments above dry cleaners, apply concepts such as volatility, vapor pressure, and concentration units, and reflect on chemical principles underlying indoor air pollution.

Techniques, Skills, And Synthesis For “Cooking” In The Organic Laboratory, Emily C. Sylvester, Tim Evans

Open Education Materials

Lab manual for CHEM 211L, Organic Chemistry I Laboratory. Provides background and procedures for laboratory experiments, including fundamental techniques and several organic syntheses.

Creative Commons attribution.

Chemistry & Fine Arts Collaboration Posters 2025 - 2026, Basil Masri Zada, Corey Beck

Exhibition Catalogs

Supervisors Dr. Basil Masri Zada and Dr. Corey Beck bring together students from Ohio University’s Chemistry and Digital Art + Technology programs in a collaborative effort to make scientific concepts more accessible. Each artist has been assigned to work with a group of chemistry students, and they are then prompted to create an art poster with only the name of the compound. Enclosed in this pamphlet is the hard work of both students from the digital art program and the chemistry program.

Participating artists include:  Addie Smith, Madelyn Bartolone, Jabin Tasmin, Sara Pirahmaiden, Parker McGowan, Sophie Hillis, Leena Blanton, Jack …

Elucidation Of Spin-Hamiltonian Parameters Via Spectroscopy, Magnetization, And Computation, Joshua C. Mengell

Chemistry and Chemical Biology ETDs

Molecular Quantum Information Science (QIS) is fundamentally concerned with using spin-systems as quantum bits (qubits) or as sensors. Prerequisite to using molecular systems for QIS applications, it must be understood how one can design molecules with bespoke magnetic characteristics. Herein we study various paramagnetic molecular compounds, describing their complex magnetic characteristics using a spin-Hamiltonian formalism. We utilize various (sometimes novel) methods for determining these spin-Hamiltonian parameters. Many of these molecules possess magnetic characteristics, which make them attractive as qubits or for sensing applications. These characteristics include higher total spin-states (qudits—S_T>1/2), forbidden interstate electronic transitions, systems of spatially distant …

Refining A Flow Injection Analysis Method For Trace Concentrations Of Iron In Seawater, Brooke I. Stafford, Liam W. Hodgson, Noah S. Schuhmann, Elijah J. Vestal, Claire P. Till

IdeaFest: Interdisciplinary Journal of Creative Works and Research from Cal Poly Humboldt

Iron is an essential micronutrient required for the growth of phytoplankton, the base of the oceanic food chain. Iron exists in the ocean in extremely low concentrations, limiting primary productivity in ~⅓ of the surface ocean, and can be affected by physical processes such as upwelling of water masses, and by biological and chemical processes within the water. In order to further our understanding of iron availability in the ocean, here we refine and improve our understanding of an analytical method to measure nanomolar iron in seawater. The method used is an adaptation of Lohan et al. (2006), a flow …

Forensic Analysis Of Temporary Tattoo Markers And Inks, Daniel J. G. Chasse Jr

Student Theses

As tattoos rise in popularity, some marker manufacturers have created temporary tattoo markers so that children and adults can experience tattoos without the permanence of a regular tattoo. These new products are marketed explicitly as ‘temporary tattoo markers’ and intended for direct application to the skin. This research aims to scientifically evaluate the inks from these temporary tattoo markers to elucidate their physical and chemical properties using wet chemistry, visual examination, ultraviolet-visible spectroscopy (UV/Vis), Fourier-transform infrared spectroscopy (FT-IR), attenuated total reflectance infrared spectroscopy (ATR-IR), thin layer chromatography (TLC), and diffuse reflectance infrared spectroscopy (DRIFTS) to analyze temporary tattoo markers and …

Arylation Of Nitrogen, Oxygen And Carbon Nucleophiles By Aryl(Tmp)Iodonium Salts, Joseph Jordan Hatton

Dissertations and Theses

Substituted aromatic rings are present in industry in a plethora of organic molecules such as pharmaceuticals, agrochemicals, materials and beyond. Therefore, methods for broadly installing aryl rings into other compounds to create substituted aromatic rings are valuable to many organic chemists. Historically these transformations are achieved through methods such as nucleophilic aromatic substitution and metal catalyzed cross-coupling. Nucleophilic aromatic substitution is a user-friendly method in this space but is limited by reliance on specific electronics. Metal catalyzed cross-coupling reduced the dependence on electronics in this space, but metals are generally unattractive reagents due to high costs, toxicity and challenges with …

Ab Initio Method Development For Electronic Structure Response And Symmetry Quantification, Duc Anh Lai

Chemistry Theses and Dissertations

Electronic structure provides a fundamental framework for understanding molecular properties and reactivity, as it encodes the spatial distribution of electrons and their response to external and internal perturbations. This dissertation develops theoretical and computational frameworks to characterize and manipulate electronic structure through two complementary directions: the response to oriented external electric fields and the quantification of symmetry regulation in electron density.

First, a rigorous theoretical and computational framework is established for treating electric fields with arbitrary orientations relative to molecular structure. The concept of the rotational potential energy surface is introduced to characterize the dependence of molecular energy on field …

The Extraction And Chemical Characterization Of The Avian Pigments Turacin And Turacoverdin, Sarah R. Bekkali

Honors Scholar Theses

Bird coloration is a trait that extends beyond mere aesthetics as it has an extensive range of biological significance. Plumage patterns and hues can influence camouflage, mate choice, social dominance, and physiological performance. Bird fitness, their ability to survive and reproduce, is greatly dependent on color. Melanins, carotenoids, and pterins are well-studied pigment systems that are commonly found across many avian species’. Alternatively, porphyrin-based pigments are rare and less-studied as they only found in turacos a sub-Saharan African bird belonging to the family Musophagidae. This thesis focuses on two pigments of interest: turacin, the deep crimson-red pigment found in …

The Influence Of Fermentation Duration And Secondary Fermentation Conditions On The Bioactive Compound Profile Of Kombucha, Jordan Vereen

Honors Theses

Kombucha is a fermented sweet tea produced using a symbiotic culture of bacteria and yeast (SCOBY) and has gained widespread popularity due to its proposed health benefits. Kombucha has been studied to understand these advantages in cardiovascular support, improved metabolism, increased antioxidant effects, enhanced antimicrobial properties, and even potentially slowing the progression of certain diseases. Despite its increasing popularity, the way in which the specific bioactive compounds responsible for these effects and the fermentation conditions that influence their production remain unclear. The present study, conducted in collaboration with Dr. Budner, focuses on quantifying bioactive compounds in kombucha to better understand …

The Elements Among Us: The Periodic Table Reimagined, Emily Burris

Honors Capstones

Students often view chemistry as “too difficult to understand” or “Impossible to connect with”, we believe this is because of inability to bridge the gap between the elemental world and the physical world. This capstone sought out to answer the question “How can we make the Periodic Table easier to visualize and conceptualize”. We did this using common household items that represent each of the elements therefore taking away the negative stigma placed on the subject at hand. This project brings the Periodic Table to life through a hands-on, two and three-dimensional model using everyday objects to represent the individual …

Investigating The Substrate Specificity Of Azo Bond Reduction In The Human Gut Microbiome, Najoude Claude, Annick Kenfack, Glorimar De Los Santos, Madeline Bormes

Chemistry & Biochemistry Student Scholarship

The bacteria of the human gut microbiome can metabolize drugs, often causing unintended side effects. The uniqueness and variability of each individual’s microbial composition, coupled with our limited understanding of specific enzyme functions, make the metabolic outcomes of these therapeutics difficult. Azoreductase enzymes are of particular interest due to their ability to reduce azo bonds, which are often found in drugs and food dyes. Azo dyes can also be reduced nonenzymatically by hydrogen sulfide, a bacterial metabolite produced during sulfate and cysteine metabolism. The goal of this study is to examine the specificity and relative kinetics of both enzymatic and …

Exploring Ancestral Enzymes Through Sequence Reconstruction And Stability Prediction, Jeyun Park, Masakatsu Watanabe

SACAD: Scholarly Activities

Proteins evolve through sequence changes that shape structure, stability,

and function. Ancestral sequence reconstruction (ASR) infers ancestral

proteins from modern homologs, but many studies focus on sequence

inference without evaluating structural or energetic feasibility.

β-lactamases provide an ideal model due to their evolutionary diversity and

clinical relevance in antibiotic resistance.

Here, we present an integrated ASR workflow combining phylogenetic

inference (IQ-TREE), ancestral reconstruction, and structural and stability

validation using AlphaFold and FoldX. By reanalyzing a curated β-

lactamase dataset and comparing with a recent study (Risso et al., 2013),

we provide a controlled comparison of ancestral sequences, predicted

structures, and …

Increased Backbone Rigidity Of Artificial Transcription Factors, Jasmine Glover, Emma Otey, Joanna K. Kwao, Nicholas Truex

Senior Theses

Programming DNA-binding proteins is an effective strategy for developing therapeutics that regulate gene expression. These proteins can directly bind to DNA to activate or repress transcription of specific genes. Zinc finger proteins are a class of DNA-binding proteins commonly found in eukaryotic organisms. Their DNA-binding function is derived from unique amino acid sequences within each domain that recognizes specific nucleotides, allowing each finger to selectively recognize three DNA base pairs. Adjoining of multiple domains in tandem allows recognition of a specific DNA sequence. Artificial transcription factors can be made of multiple zinc finger domains arranged in tandem and engineered to …

Extension Of The Local Vibrational Mode Theory To Periodic Systems, Filippo Bodo

Chemistry Theses and Dissertations

Over the years, vibrational spectroscopy was used to gain a deeper understanding of the electronic structure and the chemical bond in both molecular and periodic systems. In this framework, the Local Vibrational Mode Theory (LVMT), as first introduced by Konkoli and Cremer in 1998, provides a unique tool to quantify the strength of a chemical bond, and better interpret the molecular vibrational spectra, thanks to the adiabatic force constants ($k^a$) and the composition of normal modes (CNM). While LVMT was originally developed for molecular systems, its application to periodic solids has remained limited. This thesis presents a complete and systematic …

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 …

Investigation Of The Phase Space Of Tungsten Oxides Nanostructures Via Resistive Hot Wire Oxidation For Efficient Electrochemical Energy Storage And Conversion Applications., Krishna Kc

Theses and Dissertations

The synthesis of tungsten oxide (WO3−δ, 0 ≤ δ ≤ 1) nanostructures with controlled phase and morphology remains a significant challenge, particularly for applications in energy conversion and storage. This dissertation presents an eco-friendly and time-efficient method for synthesizing tungsten oxide nanostructures with tailored stoichiometry and crystal phases through the Resistive Hot Wire Oxidation (RHWO) technique. In this method, a tungsten wire is heated via resistive heating in an oxygen environment, and by precisely controlling the growth conditions, we successfully synthesized WO2.72, WO2.76, WO2.80, WO2.83, WO2.90, and WO2.98 phases with controlled morphologies using simple instrumentation. This approach eliminates the need …

Microwave Synthesis And Characterization Of Fe2ptge Nanoparticles, Ally T. Fennell, David Carnevale

Chemistry Theses

Magnetic, semiconductor, and spintronic materials are vital to the functionality of devices from household appliances and sensors to medical and computing systems. This study discusses a novel synthesis and characterization of nanoscale Fe₂PtGe nanoparticles. The material was synthesized using microwave irradiation (175oC, 5 minutes) and characterized using XRD, XRF, TEM, and VSM. XRD of the synthesized particles correlates to a cubic crystal structured, indicating a face-centered cubic (fcc) platinum structure with iron and germanium incorporated in a disordered manner. XRF confirms the presence and relative ratios of iron, platinum, and germanium species. TEM imagery shows spherical nanoparticles with an average …

Characterization Of Heusler Alloys: Co2nisn, Ni2cosn, And Conisn At The Nano And Bulk Level, Paige E. Klos, David Carnevale

Chemistry Theses

This project centered around the synthesis and modification of three materials in the Heusler alloy family CoxNiySn. These compounds consist of the two full Heuslers, Co2NiSn (10.7 nm) and Ni2CoSn (17.4), as well as the half-Heusler counterpart, CoNiSn (14.9 nm). This work also studies the growth of the nanoscale Heusler alloys to the bulk material through annealing at 600°C, which lead to increased crystallinity of Ni2CoSn but phase segregation of the Co2NiSn and CoNiSn. The initial nanoparticles were synthesized utilizing a CEM microwave with temperatures of 175/200°C. Samples were analyzed by X-Ray diffraction (XRD) for their crystallinity, which showed a …

Theoretical Study Of Long-Range Molecular Interactions, Adrian Luis Batista-Planas

Doctoral Dissertations

Describing intermolecular forces is fundamental to modeling and predicting the behavior of molecular systems. In particular, long-range molecular interactions—with electrostatic, induction, and dispersion as main components—play a critical role, especially for low-temperature and low-density regimes. Long-range interactions are often described through perturbation theory, representing the electronic charge distribution via multipolar series of the moments and polarizability tensors corresponding to each molecule. However, while the theory is well-established, obtaining the resulting analytical expressions (and their practical implementation) constitutes a highly complex and system-dependent task. To address this challenge, we developed Long-Range-Fit (LRF), an interactive and user-friendly software package designed to automate …

Testing The Limits Of Provenance Analysis From Basaltic Fluvial Sediment Near Sandvatn, Iceland, As A Mars Analog, Audrey R. Putnam, Kirsten L. Siebach, Michael T. Thorpe, Valerie M. Tu, Elizabeth B. Rampe, Candice C. Bedford, Gelu Costin, Joseph J. Tamborski

OES Faculty Publications

Detrital sediments that accumulate downstream and are preserved in sedimentary rocks can allow characterization of geologic formations that are inaccessible for spatial or temporal reasons. However, mixing, sorting, and alteration of sediment during transport may complicate reconstruction of protolith characteristics. We test the preservation of three key provenance signals in coarse fluvial sand at a Mars analog watershed in Iceland to determine whether detrital sediments capture (a) watershed magmatic chemical variation, (b) textural indicators of lava-water interaction during eruption and cooling, and (c) hydrothermal alteration. Specifically, we tested whether diagnostic variations in rock mineralogy, chemistry, and texture can be recovered …

Computer-Aided Molecular Design To Identify More Environmentally Friendly Pfas, Melvin M. Keita

Williams Honors College, Honors Research Projects

The goal of this project is to inversely design alternatives to per- and polyfluoroalkyl substances (PFAS) using Computer-Aided Molecular Design (CAMD). PFAS, also described as “forever chemicals”, have been used in industry and consumer products since the 1940s. PFAS can be found in drinking water, food, food packaging, waste sites, and other sources. Exposure to different PFAS can lead to increased risks of some cancers, immune effects, and reproductive effects. Pulling from existing data, this project will use quantitative structure-property relationships (QSPRs) to design PFAS alternatives that possess optimal properties to prevent adsorption into drinking water and other potential sources …

Connections Between Mathematics And Chemistry: An Interdisciplinary Undergraduate Curricular Initiative, George Ashline, Bret Findley

Journal of Mathematics and Science: Collaborative Explorations

In this article, we describe an undergraduate curricular initiative involving mathematics and chemistry faculty and students. Supported by a grant from the National Science Foundation Scholarships in Science, Technology, Engineering, and Mathematics Program, a program designed to encourage the study of and connections between quantitative fields and life sciences, this interdisciplinary collaboration features undergraduate student research and involves the development of curricular connections between mathematics and chemistry. Through this initiative, we have created activities for calculus courses featuring chemistry applications as well as activities for chemistry courses showcasing mathematical concepts. After the implementation of these curricular enhancements, we gathered student …

Discovery Of The Multi-Ion Bridge Intermediate: A Computational Exploration Of The Mechanism For Azomethine Ylide Formation From N-Oxides, Martin J. Neal

Electronic Theses and Dissertations

Density functional theory (DFT) provides a method for calculating the ground-state energies of complex molecular systems through evaluating the electron density instead of the full wave function. When results match either experimental outcomes, calculations with DFT offer a computationally efficient method to help explain chemical phenomena. The transformation of tertiary amine N-oxides to azomethine ylides, a simple route to the precursor for 1,3-dipolar cycloadditions that result in the pyrrolidine scaffolds found in natural products, has received only minimal attention due to concerns that its mechanism includes a highly electrophilic intermediate. Utilizing DFT to model the mechanism of the conversion …

Validation And Proposed Expansion Of The Data-Driven D Region Model, Kevin M. Watson

Theses and Dissertations

Predicting ionosphere effects on radio wave propagation is critical for communications and over-the-horizon radar systems. The D region is challenging to model for several reasons, one of which is chemical complexity. Ion density changes during sunrise/sunset introduce substantial uncertainty in electron density profiles (EDPs). The Data Driven D Region (D3R) model solves electron densities through an ion chemistry model and assimilates relevant space weather inputs. This study evaluates D3R against the Faraday International Reference Ionosphere (FIRI) and measurements using Very Low Frequency (VLF) propagation paths. Space weather event impacts on D3R EDPs are evaluated during the disturbed period from 8-12 …

A Study Of Machine Learning Techniques In Solving Biochemical And Chemical Problems, Kenneth Micheal Plackowski

Chemistry and Chemical Biology ETDs

Data-driven approaches to solving problems in biology and chemistry require utilization of reliable techniques and machine learning algorithms are the modern reliable approach. This work presents three problems that involve use of supervised learning techniques when classification is the goal and unsupervised learning techniques when global data representation is the goal.

In the first problem, we demonstrate the use of unsupervised clustering techniques, self-organizing maps and K-means, to ascertain analyte detection capabilities of carbon nitride dots. In the second problem, we add scalability features to a functional group classification model applied to infrared data and evaluate its ability to inform …

Signal And Noise Analysis In An Undergraduate Instrumental Analysis Laboratory, Ken Overway

Chemistry Faculty Scholarship

Understanding the difference between signal and noise in a measurement is fundamental to analytical chemists. The typical instruments found in an undergraduate chemistry department can be used to teach this concept, as well as signal averaging, by giving students hands-on experience with measurements and data processing. This work presents an undergraduate laboratory module (homework and experiment) that provides specific instructions for using gas chromatographs, fluorometers, a nuclear magnetic resonance spectrometer, an atomic absorption spectrophotometer, and an infrared spectrometer to collect replicate measurements and a framework for calculating the noise level, baseline, signal level, signal-to-noise ratio (SNR), and the signal thresholds …

The Potential Importance Of Microenvironment On Polymer Bound Chemical Reagents, Nathan Joseph Halsteter

Theses and Dissertations

In this thesis will provide a brief history of polymer bound reagents, their uses, and advancements. The importance of polymer microenvironments will be explored using a model kinetic resolution reaction utilizing polymer bound reagents to observe how changes in a polymer’s microenvironment effects the yield and selectivity of a reaction. It was found that there are copious factors that affect polymer bound reagents, and no direct conclusion could be drawn from the study.

Lighting Up The Cell: Developing A Luminescent Lanthanide Probe For Detecting Rnas, Jonathan Savell

Honors Projects

An anion detecting luminescent probe, Tb:DO2A-Cs124, was repurposed for use in RNA imaging. Potential RNA aptamers were identified for the molecule using Capture-SELEX and MinION sequencing. Fluorimetry data revealed these aptamers did not allow for the probe to luminesce in the presence of target RNAs due to adenosine monophosphate’s ability to quench the emission signal.