Physical Sciences and Mathematics Commons^™

Expanded Scorpionate And Siderophore-Inspired Ligands: From Foundational Designs To Modern Applications, Austin Winfield Medley, Trandon Allen Bender

Chemistry & Biochemistry Faculty Publications

Scorpionate ligands have been advanced significantly through systematic modifications of their apical atoms and heterocyclic arms, expanding their structural diversity and chemical reactivity. Recent biologically inspired variants now enable accurate modeling of complex bioinorganic motifs, such as the Fe₄S₄ clusters of nitrogenase, and support enzyme‐like reactivity under mild aqueous conditions. These developments have broadened the impact of scorpionate chemistry across bioinorganic modeling, homogeneous catalysis, and biorthogonal transformations. In particular, expanded tripodal scaffolds provide modular, tunable platforms for mimicking enzyme active sites and probing biological nitrogen fixation pathways. Beyond fundamental insight, these ligands present practical opportunities for sustainable catalysis by enabling …

M-Type Star Spectral Analysis: Sco Line List Including The B²Σ⁺-X²Σ⁺ Band System, Léo Lavy, Jacques Liévin, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

An analysis of the B²Σ⁺ − X²Σ⁺ band system of ⁴⁵Sc¹⁶O is presented. ScO was excited in a hollow cathode discharge, and its Doppler-limited resolution spectrum was measured with a Fourier transform spectrometer. The spectroscopic constants of the B²Σ⁺ state with v ≤ 3 are reported, and equilibrium constants are derived. Ab initio transition dipole moment functions are calculated for the A²Π − X²Σ⁺ and B²Σ⁺ − X²Σ⁺ transitions and scaled using lifetime measurements. We report new line lists of hyperfine-resolved transitions for ⁴⁵Sc¹⁶O with recalculated Einstein A coefficients and oscillator strengths of the …

The Hitran2024 Molecular Spectroscopic Database, I. E. Gordon, L. S. Rothman, R. J. Hargreaves, F. M. Gomez, T. Bertin, C. Hill, R. V. Kochanov, Y. Tan, P. Wcisło, V. Yu. Makhnev, P. F. Bernath, M. Birk, V. Boudon, A. Campargue, A. Coustenis, B. J. Drouin, R. R. Gamache, J. T. Hodges, D. Jacquemart, E. J. Mlawer, A. V. Nikitin, V. I. Perevalov, M. Rotger, S. Robert, J. Tennyson, G. C. Toon, H. Tran, V. G. Tyuterev, E. M. Adkins, A. Barbe, D. M. Bailey, K. Bielska, L. Bizzocchi, T. A. Blake, C. A. Bowesman, P. Cacciani, P. Čermák, A. G. Császár, L. Denis, S. C. Egbert, O. Egorov, A. Yu. Ermilov, A. J. Fleisher, H. Fleurbaey, A. Foltynowicz, T. Furtenbacher, M. Germann, E. R. Guest, J. J. Harrison, J. -M. Hartmann, A. Hjältén, S. -M. Hu, X. Huang, T. J. Johnson, H. Jóźwiak, S. Kassi, M. V. Khan, F. Kwabia-Tchana, T. J. Lee, D. Lisak, A. -W. Liu, O. M. Lyulin, N. A. Malarich, L. Manceron, A. A. Marinina, S. T. Massie, J. Mascio, E. S. Medvedev, V. V. Meshkov, G. Ch. Mellau, M. Melosso, S. N. Mikhailenko, D. Mondelain, H.S.P. Müller, M. O' Donnell, A. Owens, A. Perrin, O. L. Polyansky, P. L. Raston, Z. D. Reed, M. Rey, C. Richard, G. B. Rieker, C. Röske, S. W. Sharpe, E. Starikova, N. Stolarczyk, A. V. Stolyarov, K. Sung, F. Tamassia, J. Terragni, V. G. Ushakov, S. Vasilchenko, B. Vispoel, K. L. Vodopyanov, G. Wagner, S. Wójtewicz, S. N. Yurchenko, N. F. Zobov

Chemistry & Biochemistry Faculty Publications

The HITRAN database is a curated compilation of validated molecular spectroscopic parameters, established in the early 1970s. It is used by various computer codes to predict and simulate the transmission and emission of light in gaseous media (with an emphasis on terrestrial and planetary atmospheres). The HITRAN compilation is composed of six major components. These components include the line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, experimentally derived absorption cross-sections (for molecules where it is not yet feasible for representation in a line-by-line form), collision-induced absorption data, aerosol indices of refraction, and general tables (including partition sums) that apply globally …

Investigating The In Vitro Antimicrobial Potential And Comprehensive Computational Studies Of New Schiff Base Derivatives, Abrar Hussain, Shahzaib Akhter, Hammad Nasir, Khurram Shahzad, Muhammad Arfan, Sand Hyun Park

Chemistry & Biochemistry Faculty Publications

Antimicrobial resistance (AMR) is a growing global health threat driven by multidrug-resistant bacteria (Staphylococcus aureus, Pseudomonas aeruginosa), and fungi (Candida albicans, and C. parapsilosis). This study evaluated six novel Schiff base derivatives (HSB-1 to HSB-6) through integrated in vitro antimicrobial activity and comprehensive computational studies. In vitro disk diffusion assay demonstrated the largest zones of inhibition against S. aureus for HSB-6 and HSB-1 (15–17 mm), activity against P. aeruginosa for HSB-5 and HSB-6 (12 mm), and moderate antifungal activity for HSB-4 (8–11 mm). Molecular docking results correlated with the in vitro findings with the binding energy ΔG = −12.3 kcal/mol …

The Coral Microbiome Under Climate Change: Shifting Symbiotic Interactions, Katherine E. Parker, Kate M. Quigley

Biological Sciences Faculty Publications

Host–microbe symbioses are central to organismal health, yet these complex partnerships are often strongly shaped by the environment. Climate change is increasingly altering environmental conditions, disrupting the balance of host–microbe interactions and pushing them along a continuum from mutualism (both partners benefit) toward parasitism (one partner gains at the other’s expense). Reef-building corals provide a clear example of this vulnerability, as the coral holobiont, an ecological unit comprising diverse photosynthetic algal symbionts (Symbiodiniaceae) and other microbial partners, depends largely on these mutualistic interactions for nutrition, immunity, and stress tolerance. Increasingly, evidence suggests that under heat stress, the algal symbionts retain …

Mitochondrial Genome Of The Indo-Pacific Mesophotic Coral Leptoseris Columna (Scleractinia: Agariciidae) Assembled Using Pacbio Long-Read Sequencing, Nomita Rani Adhikary, Daniel J. Barshis, J. Antonio Baeza

Biological Sciences Faculty Publications

Leptoseris columna, a mesophotic coral species belonging to the family Agariciidae, is distributed throughout the Indo-Pacific region. This species is considered as of "Least concern" by the IUCN, yet, faces multiple local and global stressors. To support conservation plans, this study sequenced and characterized the complete mitochondrial genome of L. columna. The complete mitochondrial genome of Leptoseris columna was assembled using PacBio long-reads with a coverage of 459× per bp. The AT-rich mitochondrial genome of Leptoseris columna is 18,546 bp long and comprises 13 protein-coding genes (PCGs), 2 transfer RNA genes (trnM and trnW), and 2 ribosomal RNA …

The Role Of Education In Reducing Social Inequality: A Systems-Level Analysis Of Socio-Technical Infrastructures And Policy Governance, Aisling O'Shea, Batzorig Dashnyam, Ximena Quintanilla

Women's & Gender Studies Faculty Publications

Social inequality remains one of the most persistent challenges to global systemic stability, threatening the robustness of democratic institutions and economic sustainability. Education has long been theorized as the primary mechanism for social mobility and the mitigation of disparate life outcomes; however, its role within modern socio-technical infrastructures is increasingly complex and often contradictory. This paper provides a comprehensive systems-level analysis of the relationship between educational architecture and social stratification. By examining the structural trade-offs inherent in contemporary pedagogical deployment, the research evaluates how institutional governance, digital infrastructure, and policy mandates either facilitate or hinder the reduction of inequality. The …

A New Functional Setting For Term Structure Modeling Using The Health-Jarrow-Morton Framework, Michael Pokojovy, Ebenezer Nkum, Thomas M. Fullerton Jr.

Mathematics & Statistics Faculty Publications

The well-known Heath–Jarrow–Morton (HJM) framework provides a universal and efficacious instrument for modeling the stochastic evolution of an entire yield curve by explaining the interest rate dynamics in continuous time under no-arbitrage conditions. Existing implementations involve exponentially weighted function spaces as theoretical settings for the former stochastic evolution. While the choice of weight can have a drastic effect on model calibration and subsequent forecasting, it cannot be estimated from market data and does not allow for any objective interpretation. The proposed approach does not have this shortcoming as it adopts a suitably designed unweighted function space. The HJM equation is …

The Ai Revolution In Virtual Try-Ons: A Means-End Chain Model Perspective, Ju-Young M. Kang, Ji Young Lee, Dooyoung Choi, Sumin Helen Koo, Jeehyun Song, Youngjin Bahng

Educational Leadership & Workforce Development Faculty Publications

Leading brands have begun to implement artificial intelligence-driven virtual try-on (AI VTO) technology, which helps reduce returns and increase conversion rates, repeat purchases, and customer loyalty. This research aimed to examine how retail user experience with specific perceived quality factors of AI VTOs influences users’ value equity and downstream loyalty and to investigate the moderating effects of clothing in relation to the self as structure and concern for physical appearance, based on a Means–End Chain model. Data were collected from 509 U.S. online apparel shoppers using a consumer panel. Structural equation modeling and multigroup analysis were used for data analysis. …

Sulfhydryl-Functionalized Diarylethenes: Synthesis, Photoswitching, And Fluorescent Properties, Pramod Aryal, Jonathan Bietsch, Gowri Sankar Grandhi, Josh Choi, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Sulfhydryl group (SH) plays important roles in reactions with various functional groups, especially in biologically active systems. Photoswitchable diarylethene (DAE) derivatives have demonstrated applications in many research fields. Among the many classes of diarylethene derivatives, thiol derivatives have not been extensively explored. In this study, we systematically synthesized and characterized a series of bis-thiol functionalized dithienylethene derivatives. The thiol groups in this series are attached directly to the thiophene, or through a phenyl or methylene linker. Each series incorporated both dithienyl cyclopentene and hexafluorocyclopentene bridges and total six thiol substituted diarylethenes were synthesized. Among the six sulfhydryl DAE derivatives, four …

Nonpyrogenic "Black" Nitrogen Likely Plays A Major Yet Underrecognized Role In The Global Nitrogen Cycle, João Vitor Dos Santos, Aleksandar I. Goranov, Kyle M. Lambert, Theodoro Da Rosa Salles, Susan J. Carter, Ann Pearson, Patrick G. Hatcher

Chemistry & Biochemistry Faculty Publications

Condensed aromatic nitrogen (ConAN) is commonly found in soil and aquatic environments. ConAN is broadly viewed by the biogeochemistry community as a combustion-derived product leading to its frequent designation as pyrogenic “black” nitrogen. Here, we provide evidence that ConAN can also form through nonpyrogenic pathways. In an experiment simulating biomass oxidation, pine wood boards assembled with iron nails were exposed to 12 years of natural environmental conditions. Nitrogen concentrations increased from 0.2 to 1.2 wt % with increasing proximity to the nail. Ultrahigh resolution mass spectrometry showed enrichment of nitrogen-containing compounds within the lignin and condensed aromatic domains. X-ray spectroscopic …

Land Use Influences Dissolved Organic Matter Composition In The U.S. Coastal Critical Zone Network, Aleksandar I. Goranov, Elizabeth V. Whitney, Brian R. Moyer, Katherine L. Tully, Patrick G. Hatcher, Yu-Ping Chhin

Chemistry & Biochemistry Faculty Publications

Coastal watersheds are highly productive biogeochemical systems supporting robust coastal fisheries and contributing significantly to the marine gross primary production flux. These ecosystems are comprised of civil infrastructure, farms, forests, and marshes, and their diversity is reflected in the quantity and quality of dissolved organic matter (DOM). Here, we assess the role of farming in influencing DOM from surface waters of six coastal tidal creeks adjacent to forest and farm sites in the US Critical Zone Network. Molecular fingerprinting using electrospray ionization - Fourier transform - ion cyclotron resonance - mass spectrometry revealed that farm-influenced DOM was enriched in nitrogen-, …

Multidentate Surfactant-Dependent Synthesis Of Giant Iridium Superstructures, Ramjee Balasubramanian, Maeren E. Hill

Chemistry & Biochemistry Faculty Publications

Giant superstructures of iridium, comprised of smaller spherical and slightly larger anisotropic nanoparticles, were synthesized by reducing iridium chloride in the presence of resorcinarene, a class of tetrameric macrocyclic polyphenols, with sodium borohydride in ethanol in 30 min under mild conditions. These superstructures were characterized by a range of techniques including TEM, HRTEM, EDS and other spectroscopic methods. The impact of the macrocyclic surfactant, its features and reaction conditions in dictating the formation of giant iridium superstructures was evaluated. The packing density of nanoparticles in these giant iridium superstructures could be altered qualitatively by varying the duration of the reaction, …

Understanding Climate Change And Wellbeing Through Bhutan's Pursuit Of Gross National Happiness, Tashi Dorji

Theses: Doctorates and Masters

Climate change has evolved into one of the biggest global challenges of the twenty first century reshaping ecological systems and social conditions with wide-ranging implications for human wellbeing. Bhutan offers a distinct context to explore interactions between climate change and wellbeing as it remains guided by its wellbeing-centred development philosophy of Gross National Happiness (GNH). At the same time, it remains highly vulnerable to climate change despite being the only carbon negative country in the world. Nonetheless, the intersections between climate change and GNH have not been systematically explored.

This research aims to explore the relationship between climate change and …

References, Appendices & All Parts Merged, Konstantin Likharev

Essential Graduate Physics

Includes: Appendix MA: Selected Mathematical Formulas; Appendix UCA: Selected Physical Units and Constants; References; EGP merged file (all parts, appendices, and references)

Insights Into The Petrogenesis Of Alkalic, Shonkinitic Magmas From The Adel Hill Volcanic Field, Montana, Kenneth L. Brown, C. L. Mcleod, M. L. Lytle, T. J. Cracas, B. J. Shaulis, M. Loocke

Geology and Environmental Geoscience Faculty Publications

Shonkinites are rare alkali-rich igneous rocks found in the geological record from the Precambrian to the Eocene. This study investigates the Upper Cretaceous shonkinites from the Adel Hills Volcanic Field (AHVF), central Montana. The AHVF shonkinites are porphyritic with large, euhedral to subhedral phenocrysts of diopside that exhibit sector zoning. Other major mineral phases include plagioclase, sanidine, and secondary zeolites. Minor and accessory phases identified with SEM-EDS include magnetite, apatite, rare ilmenite and pyrite, and secondary calcite. Bulk rock SiO2 ranges from 47 to 49 wt% with Na2O + K2O varying from 5.50 to 7.34 wt% within that silica range. …

Doikayt And The Ethics Of Belonging: Lessons In Place-Making From The Jewish Labor Bund, Zoë L. Jacobs

Scripps Senior Theses

This thesis traces the evolution of doikayt—the Bundist principle of hereness—from its origins in the Jewish Labor Bund to contemporary applications in North America. Rooted in a refusal of both assimilation and nationalist escape, doikayt emphasizes cultivating safety, solidarity, and belonging through collective responsibility rather than territorial claims.

Building on this foundation, the exploration situates hereness within a settler-colonial context, where ethical dwelling is complicated by Indigenous dispossession. Drawing on Alexis Shotwell alongside Indigenous thinkers Vanessa Watts and Kyle Whyte, I examine how inhabiting place requires confronting historical injustices and ongoing relational responsibilities. Chapter 3 analyzes Linke Fligl (2016–2022) as …

Spectral Decimation On The Schreier Graphs Of The Basilica Group: A Thesis In Fractal Analysis, Anne D. Bannon

Scripps Senior Theses

This thesis is intended to provide a comprehensive overview of the literature required to fully understand research conducted during the University of Connecticut's Fractals & Stochastics REU in the summer of 2025. The literature review includes a description of Robert Strichartz's seminal work pertaining to the Laplacian spectrum of the Sierpiński Gasket, which provides a framework for how we approach studying the spectrum of the basilica Julia set. Defining the basilica Julia set and the closely-related Basilica group involves graph theory, automata theory, iterated monodromy group theory, and amenable group theory. Further time is dedicated to defining the graph Laplacian …

Real Interpolation: An Approximate Introduction, Madeline Anderson

Scripps Senior Theses

This thesis provides an introduction to real interpolation. We establish

relevant notions in functional analysis first, and use these concepts to study

real interpolation using J. Peetre’s 𝐾-functional in some detail. We also

explore the basics of approximation theory, in particular the connection

between approximation and interpolation results.

An Application Of Molecular Dynamics To Hed Plasma Physics: Point And Group Defect Diffusion In Coulomb Crystals, Levi Webb

Theses and Dissertations

Molecular dynamics (MD) simulations are used to explore the microscopic behaviors of complex systems that cannot be easily studied experimentally. In particular, the microphysics of high energy density (HED) astrophysical plasma environments remain inaccessible by modern experiment---even in laser facilities, these plasmas exist only on short timescales that do not lend easily to investigation. The diffusion of point and group defects through crystallized plasmas in the cores of white dwarfs and neutron star crusts, called Coulomb crystals, has potentially macroscopic implications for the evolution of these bodies. Thus, I employ the widely-used MD code LAMMPS to simulate small Coulomb crystal …

Feasibility Of Upcycling Spent Lithium-Ion Battery To Carbon Dioxide Capture Adsorbent, Chimezie Frank Onwudinjo

Master’s Theses

This study investigates the feasibility of repurposing spent lithium-ion battery (SLIB) to lithium orthosilicate (Li₄SiO₄), a high temperature carbon dioxide sorbent. Two synthesis pathways including conventional acid-leaching method (Scenario 1) and a pyrolysis-based route (Scenario 2) were explored. Additionally, techno-economic analysis (TEA) and lifecycle assessment (LCA) of the two processes were also performed. Different analytical characterization techniques were performed to understand the material properties of Li₄SiO₄ including surface area, crystallinity, morphology and thermal stability. CO₂ capture performance of the synthesized Li₄SiO₄ was tested in a thermogravimetric analyzer (TGA) using …

Overview And Methods Of Molecular Paleontology: A Review, Shelby Touchstone

Williams Honors College, Honors Research Projects

Molecular paleontology—the study of ancient biomolecules preserved in fossils and sediments, including ancient DNA, lipids, and proteins—has motivated researchers since the 1950s, inspiring both scientific inquiry and broader cultural imagination. Think Jurassic Park. This honors thesis presents a comprehensive review of the history, current state, and methods of the field of molecular paleontology. Drawing on peer-reviewed literature and scholarly resources accessed through databases such as EBSCO and Bierce library, this review examines key techniques such as Next Generation Sequencing and amino acid racemization and will go over limitations and controversies in the field. It will also explore potential new …

Beyond The Lace Index: Benchmarking Machine Learning Architectures And Explaining 30-Day Hospital Readmission Risk With Shap Analysis, Carl E. Hughes Iii

Williams Honors College, Honors Research Projects

Unplanned 30-day hospital readmission remains a fundamental challenge in US healthcare, associated with increased risk to patient recovery and representing an estimated $52.4 billion in annual expenses (Beauvais et al., 2022). While the rigorously validated LACE index serves as the clinical standard for readmission modeling, its linear structure and four explanatory variables lack the complexity to capture the high-dimensional and interactive nature of patient risk. This study utilizes an admission granularity level cohort of the MIMIC-IV database to develop and compare machine learning architectures against the baseline LACE index. Due to the imbalanced prevalence of readmission, the penalized logistic regression, …

Rate Response Of Curlyleaf Pondweed And Native Plants To Flumioxazin In Minnesota Lakes, Pearl J. Jensen

All Graduate Theses, Dissertations, and Other Capstone Projects

Curlyleaf pondweed (Potamogeton crispus L.) is an invasive aquatic plant present across the United States that causes significant recreational issues, outcompetes native plant species, and depletes water quality. Before senescing in mid-summer, curlyleaf pondweed forms a large number of turions that can lay dormant in the sediment for several years. Typical herbicide management of this species occurs in early spring to target the plant before turion production occurs and while native plants are dormant. Flumioxazin has shown potential in curlyleaf pondweed management in small scale studies, but its effects have not been assessed in operational management. In this study, treatments …

Designing Ai Systems To Support A Productive-Failure-Based Learning: Insights From Adult Learners On Ai Applications And Ai System Design Principles, Jinhee Kim, Xi Lin, Seongryeong Yu, Rita Detrick

STEMPS Faculty Publications

Emerging capabilities of generative artificial intelligence (GenAI) offer significant potential to support productive failure (PF)-based learning, which engages adult learners (ALs) in exploring problems before instruction and learning from their initial attempts. However, the effective use of AI to support multifaceted areas of PF-based learning, including problem generation, exploration, consolidation, and knowledge assembly, is limited. Furthermore, AI design principles to support PF-based learning remain under-researched. This study, therefore, aims to investigate ALs’ perceptions of AI applications in enhancing PF-based learning and to explore the essential design principles of AI systems for PF-based learning. To achieve these aims, the study conducted …

Preliminary Analysis Of The Spatial Distribution Of Microplastics Along The Cuyahoga River, Northeast, Ohio, Ella Pitz

Williams Honors College, Honors Research Projects

Plastics are nearly ubiquitous throughout modern society, and when left in the natural environment, they degrade into microplastics. Microplastics are particles that range in diameter from 5 millimeters down to nanometers, and microplastics pose many potential environmental and health risks due to their small size and ease of ingestion. While the study of microplastics in the environment has become more common over the past ten years, microplastic concentrations remain unexplored in many regions throughout the country. Here I present a method for separating microplastics from organic matter and clastic sediment as well as preliminary measurements of microplastic concentrations in sediment …

Modeling Housing Prices: Which Features Matter Most?, Alex Ruvolo

Williams Honors College, Honors Research Projects

This paper attempts to find the biggest factors and traits that influence the cost of housing. This will include the lot size, type of street, utilities, neighborhood, year built, heating, electrical, yard size, number of different rooms, age, condition, and others. I will attempt to answer the question of whether the prices of houses have changed within the last 5 to 10 years, and obviously this is an easy question to answer. However, the bigger question beyond this is are the main factors affecting housing prices all important in explaining this relationship? Is one factor more important than the rest …

Arrangements Of N Planes Resulting In One Bounded Tetrahedral Chamber, Ava Knight

Williams Honors College, Honors Research Projects

This paper investigates the combinatorial geometry of plane arrangements in three-dimensional space, focusing on configurations that produce exactly one bounded tetrahedral chamber. We define T(n) as the number of face-combinatorial equivalence classes of arrangements of n planes in ℝ³ containing exactly one bounded tetrahedral chamber. Known values — T(3) = 0, T(4) = 1, and T(5) = 2 — are established through direct construction, while T(6) remains an open problem. This paper contributes experimental evidence toward resolving T(6) by systematically extending the two valid 5-plane arrangements and verifying, through a plane removal argument, that each yields a valid plane configuration …

Catalan And Hyper-Catalan Numbers: Combinatorial Applications To Polynomial Equations, Leilani Natale

Williams Honors College, Honors Research Projects

In this paper, we study Catalan numbers and their generalization, hyper-Catalan numbers, and explore how these sequences arise naturally in the context of solving polynomial equations using infinite power series. We begin by introducing the Catalan numbers through their combinatorial interpretation as triangulations of convex polygons. Using this geometric definition, we derive a relation whose recursive structure leads to a quadratic functional equation. Interpreting this relation as a formal power series equation allows us to express solutions to quadratic equations as infinite power series whose coefficients are given by the Catalan numbers. This framework is then extended by allowing polygon …

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 …