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Articles 541 - 570 of 33108

Full-Text Articles in Physical Sciences and Mathematics

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 Jan 2026

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 …


Characterization Of Phytoplankton-Excreted Metabolites Mediating Carbon Flux Through The Surface Ocean, Yuting Zhu, Hanna S. Anderson, Eli Salcedo, Samuel E. Miller, Krista Longnecker, Melissa C. Kido Soule, Sheean T. Haley, Gretchen J. Swarr, Rogier Braakman, Sonya T. Dyhrman, Elizabeth B. Kujawinski Jan 2026

Characterization Of Phytoplankton-Excreted Metabolites Mediating Carbon Flux Through The Surface Ocean, Yuting Zhu, Hanna S. Anderson, Eli Salcedo, Samuel E. Miller, Krista Longnecker, Melissa C. Kido Soule, Sheean T. Haley, Gretchen J. Swarr, Rogier Braakman, Sonya T. Dyhrman, Elizabeth B. Kujawinski

Chemistry & Biochemistry Faculty Publications

The marine labile dissolved organic carbon (DOC) pool is a dynamic reservoir of thousands of molecules that cycles approximately one-quarter of Earth’s primary production within days to weeks. After excretion by phytoplankton and other microbes, metabolites are rapidly consumed, resulting in low standing concentrations (picomolar to low nanomolar). Despite the decades-long search for labile DOC sources and molecular identities, marine phytoplankton exometabolomes are not well characterized, largely due to difficulties in measuring small polar molecules in saline water. Here, we profiled the exometabolomes of six axenic phytoplankton species representing key functional groups including a diatom (Thalassiosira pseudonana CCMP1335), a …


Expanded Scorpionate And Siderophore-Inspired Ligands: From Foundational Designs To Modern Applications, Austin Winfield Medley, Trandon Allen Bender Jan 2026

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 Jan 2026

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 ≤ 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 Jan 2026

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 Jan 2026

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 …


Sulfhydryl-Functionalized Diarylethenes: Synthesis, Photoswitching, And Fluorescent Properties, Pramod Aryal, Jonathan Bietsch, Gowri Sankar Grandhi, Josh Choi, Guijun Wang Jan 2026

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 Jan 2026

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 Jan 2026

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 Jan 2026

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, …


Feasibility Of Upcycling Spent Lithium-Ion Battery To Carbon Dioxide Capture Adsorbent, Chimezie Frank Onwudinjo Jan 2026

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 …


Identification Of Modified Polymer End Groups For Correlations To Physical Properties, Tj Sacco Jan 2026

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 …


Comprehensive Analytical Investigation Of Tetrahydro-4h-Chromene And Dihydropyridine Derivatives, Ryan J. Burk Jan 2026

Comprehensive Analytical Investigation Of Tetrahydro-4h-Chromene And Dihydropyridine Derivatives, Ryan J. Burk

Chemistry & Biochemistry Dissertations

Novel calcium channel blockers (CCBs) with dihydropyridine (DHP) or tetrahydro-4H-chromene moieties are often chiral, so effective enantiomer separation methods are needed for continued drug development. The purpose of this dissertation is to outline a comprehensive method development model for the chiral separations of DHPs and tetrahydro-4H-chromene derivatives. The scope of this dissertation is to address analytical challenges during initial synthesis, chiral separations, and data analysis during post-processing for this class of chiral compounds. The first section focuses on the method development strategies for separations of DHPs in the sub/supercritical fluid (SFC) and normal phase modes with the 2-hydroxypropyl-β-cyclodextrin stationary phase. …


Novel Methods For Environmental Fluoride Measurement, Cable Warren Jan 2026

Novel Methods For Environmental Fluoride Measurement, Cable Warren

Chemistry & Biochemistry Dissertations

Fluoride analysis has been an important focus of analytical analysis for many years and will continue to be so going forward. Today, fluorinated compounds, specifically per/polyfluoroalkyl substances (PFAS), better known as “forever chemicals” have captured the moment and are the subject of vast research and regulation. Under this context, I have researched new methods of fluoride separation and concentration in complex media as well as a novel method of PFAS destruction and total organic fluorine analysis for screening of PFAS in aqueous samples. Through research and work on micro-scale detection methods, an understanding of the state of the art and …


The Forensic Implications Of Hydrochloric Acid (Hcl) Exposure On Dna Preservation In Human Teeth, Shaelyn Lee Zimmerman Jan 2026

The Forensic Implications Of Hydrochloric Acid (Hcl) Exposure On Dna Preservation In Human Teeth, Shaelyn Lee Zimmerman

Graduate Student Theses, Dissertations, & Professional Papers

Identity is a human right, and forensic anthropological methods are often aimed at returning identity to decedents. Three main pathways are used for the identification of human remains: fingerprints, dental records, and DNA analysis. Identification efforts may be hindered when perpetrators attempt to obscure the victim’s identity. In cases where corrosive substances, such as hydrochloric acid (HCl) are used, dental comparison and fingerprinting often fail and genetic analysis becomes the best chance of achieving personal identification.

Previous studies have shown teeth are an excellent source of DNA. Large, multi-rooted teeth, such as molars, are often preferred because they contain the …


An Investigation Into The Potential Role Of Thioester Bonds In Prebiotic Atp Synthesis, Adam J. Ruf Jan 2026

An Investigation Into The Potential Role Of Thioester Bonds In Prebiotic Atp Synthesis, Adam J. Ruf

Williams Honors College, Honors Research Projects

In this project I will attempt to show a potential prebiotic pathway for the synthesis of ATP. This pathway involves the use of thioester bond containing molecules, as derivatives of these bonds have been shown to exhibit enzyme-like catalytic properties. Nuclear magnetic resonance spectroscopy will be utilized to characterize each step of the pathway to ensure it is successful.


Pipeline Corrosion And Relevant Microbial Influence, Renee E. Bamberger Jan 2026

Pipeline Corrosion And Relevant Microbial Influence, Renee E. Bamberger

Williams Honors College, Honors Research Projects

This study investigated the role of microbial activity and oxygen availability in the corrosion of carbon steel pipelines with a focus on microbially influenced corrosion (MIC). Sediment collected from Old Woman Creek, Ohio, was used to simulate natural soil conditions, and carbon steel coupons were incubated under four treatments: nonsterile oxic, nonsterile anoxic, autoclaved oxic, and autoclaved anoxic over 85 days. Corrosion was assessed through mass loss measurements and the analysis of pH, sulfate, chloride, and dissolved iron concentrations. The greatest mass loss was observed in autoclaved oxic conditions, contrary to the initial hypothesis that microbial activity would greatly enhance …


Computer-Aided Molecular Design To Identify More Environmentally Friendly Pfas, Melvin M. Keita Jan 2026

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 …


Corannulene: Optimized Synthesis And Four-Fold Reduction, Guy Rozenman Jan 2026

Corannulene: Optimized Synthesis And Four-Fold Reduction, Guy Rozenman

Electronic Theses & Dissertations (2024 - present)

Corannulene is a bowl-shaped π-conjugated fragment of the ball-shaped C60-fullerene that undergoes stepwise multielectron reduction and can accept four electrons to form the aromatic tetraanion, C₂₀H₁₀⁴⁻. Prior literature has established this charge state in donor-solvated alkali-metal assemblies: early solution studies identified the formation of the tetraanion under lithium reduction in THF, and later X-ray diffraction crystallography demonstrated a triple-decker lithium sandwich in which two corannulene tetraanion decks encapsulate five Li⁺ ions. The central objective of this thesis is to determine whether the corannulene tetraanion can instead be isolated as a bulk solvent-free alkali-metal salt containing only corannulene and …


Development Of Photolabile Coumarin Linker For Rna Synthesis And Crisprcas9 Applications, Ian Mcclain Jan 2026

Development Of Photolabile Coumarin Linker For Rna Synthesis And Crisprcas9 Applications, Ian Mcclain

Electronic Theses & Dissertations (2024 - present)

The scope of RNA-based therapeutics continues to expand as more siRNA, mRNA, and CRISPR-based treatments are approved for various medical applications. Purification of synthetic RNA drugs is inherently challenging and requires considerable time and resources. New cost-effective and efficient purification strategies will expedite drug development process and will lower the drug costs. In this thesis I describe two generations of photolabile linkers for the non-chromatographic purification of therapeutic RNAs. In addition, the photolabile linker was utilized for regulation CRISPR-Cas9 gene editing. In the first part of the thesis, I describe the first generation of the photolabile coumarin-based linker for non-chromatographic …


Comparative Evaluation Of Hplc And Capillary Electrophoresis In Intestinal Permeability Of Oseltamivir Phosphate Via Single-Pass Intestinal Perfusion (Spip) Method, Senem Şanli, Gülpembe Halay, Mustafa Sinan Kaynak, Nurullah Şanlı Jan 2026

Comparative Evaluation Of Hplc And Capillary Electrophoresis In Intestinal Permeability Of Oseltamivir Phosphate Via Single-Pass Intestinal Perfusion (Spip) Method, Senem Şanli, Gülpembe Halay, Mustafa Sinan Kaynak, Nurullah Şanlı

Arts & Sciences Faculty Publications

Introduction: Oseltamivir phosphate (OP), a widely used antiviral prodrug for influenza, requires accurate Biopharmaceutics Classification System (BCS) classification to inform formulation and bioequivalence decisions. Despite its high solubility, the permeability characteristics of OP remain inadequately defined. Methods: This study evaluated the intestinal permeability of OP using the in situ Single-Pass Intestinal Perfusion (SPIP) model in male Sprague Dawley rats. Two validated analytical methods - High-Performance Liquid Chromatography (HPLC) and Capillary Zone Electrophoresis (CZE) were developed and compared. Metoprolol tartrate served as the high-permeability reference standard, and phenol red was used to monitor water flux. Permeability coefficients (Peff) were calculated after …


Absolute Quantification And Identification Of Rna From Rna-Lipid Nanoparticles Using High Resolution Mass Spectrometry, Jason C. Funderburk Jan 2026

Absolute Quantification And Identification Of Rna From Rna-Lipid Nanoparticles Using High Resolution Mass Spectrometry, Jason C. Funderburk

Theses and Dissertations

RNA therapeutics are a rising drug category with potential use for a range of conditions encompassing infectious diseases to therapies for cancer, diseases, and genetic disorders. RNA-lipid nanoparticles (RNA-LNPs) are the prominent delivery method for these therapeutics approved products include mRNA vaccines and polyneuropathy treatments. The emergency use authorizations and orphan drug status of current RNA-LNP drugs has allowed approval without finalization of the regulatory analytical procedures for quality monitoring. The objective of the study was to develop an LC-MS assay to simultaneously measure identity and concentration of two therapeutically relevant intact RNA constructs extracted from RNA-LNPs to enhance quality …


Connections Between Mathematics And Chemistry: An Interdisciplinary Undergraduate Curricular Initiative, George Ashline, Bret Findley Jan 2026

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 …


Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran Jan 2026

Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran

Electronic Theses & Dissertations (2024 - present)

Anion exchange membrane water electrolysis (AEMWE) presents a promising pathway toward cost-effective and sustainable hydrogen production by integrating the chemical robustness of alkaline systems with the compact, zero-gap design of proton exchange membrane electrolyzers. However, the widespread implementation of AEMWE is limited by the availability of highly active and durable platinum-group-metal (PGM)-free catalysts and by an incomplete understanding of their degradation behavior under realistic operating conditions.

This dissertation focuses on the development, characterization, and mechanistic investigation of nanostructured MoNi4–MoO2-based electrodes for efficient and stable hydrogen generation under alkaline and membrane-integrated environments. MoNi4–MoO2 nanorods …


Additional Information For Fully Anharmonic Ir Spectra Of Neutral Polycyclic Aromatic Hydrocarbons With Up To 38 Carbons, Nolan J. H. White, Vincent J. Esposito, Christiaan Boersma, Louis J. Allamandola, Jesse D. Bregman, Alexandros Maragkoudakis, Pasquale Temi, Ryan C. Fortenberry Jan 2026

Additional Information For Fully Anharmonic Ir Spectra Of Neutral Polycyclic Aromatic Hydrocarbons With Up To 38 Carbons, Nolan J. H. White, Vincent J. Esposito, Christiaan Boersma, Louis J. Allamandola, Jesse D. Bregman, Alexandros Maragkoudakis, Pasquale Temi, Ryan C. Fortenberry

Faculty and Student Publications

Interstellar aromatic infrared band (AIB) spectra are showing strong agreement with presently-computed, anharmonic spectra for various types of polycyclic aromatic hydrocarbons (PAH) determined using a novel semi-empirical quantum chemical method. Since the AIB spectrum is a blend of emission spectra from a vast number of different PAHs, likely with an array of different molecular structures, the spectra for a sample set of 31 PAHs ranging in size from naphthalene (C$_{10}$H$_8$) up to circumbiphenyl (C$_{38}$H$_{16}$) are combined giving consideration to almost all PAH structural motifs. The computed, numerical quartic force fields coupled to second-order vibrational perturbation theory clearly confirm that PAH …


31p Solution Nmr Investigation Of Abasic Dna, Clarissa R. Krimmel Jan 2026

31p Solution Nmr Investigation Of Abasic Dna, Clarissa R. Krimmel

Graduate Theses/Dissertations

Base excision repair (BER) mechanisms fix single base lesions in DNA, such as T:G mismatches. During the base excision repair mechanism, an abasic site (AP site) is formed as an intermediate. AP sites are unstable and highly mutagenic; they can stop DNA replication. This research investigates how the conformational properties of abasic sites in DNA affect the binding recognition of enzymes involved in DNA repair mechanisms, including BER. Three different abasic sequences are being analyzed for this research project. A second project looks at the effects of a naturally occurring purine derivative, hypoxanthine, on the DNA backbone. These hypoxanthine lesions …


A Geospatial Assessment Of Groundwater Salinization In A Multi-Aquifer System: Durango, Mexico, Juan Lopez-Sierra Jan 2026

A Geospatial Assessment Of Groundwater Salinization In A Multi-Aquifer System: Durango, Mexico, Juan Lopez-Sierra

Graduate Theses/Dissertations

Groundwater salinization poses a critical environmental concern for water resource sustainability in arid and semi-arid regions. This study evaluates spatial and temporal patterns of groundwater salinity across the state of Durango, Mexico, using total dissolved solids (TDS), sodium adsorption ratio (SAR), as salinity indicators and nitrate-nitrogen (NO₃–N) as an anthropogenic indicator. Groundwater quality data were obtained from (CONAGUA), a Mexican water agency. To assess salinity variations with respect to time, while minimizing interannual sampling bias, two multi-year sampling periods were selected: 2012-2013, and 2020-2021. Final datasets consisted of 122 wells for 2012–2013 and 131 wells for 2020–2021. The wells were …


A Dual-Emission Polymer-Dots/Gold-Nanoclusters Nanohybrid For Ratiometric Fluorescence Detection Of Hg²⁺, Sha Wu Jan 2026

A Dual-Emission Polymer-Dots/Gold-Nanoclusters Nanohybrid For Ratiometric Fluorescence Detection Of Hg²⁺, Sha Wu

Dissertations and Theses

Heavy metals, such as Hg, Cd, Pb, and Cr, become a serious environmental problem because they are highly toxic, bioaccumulation, and long-term persistence, required a high sensitivity and selectivity detection method. Although laboratory testing instruments, such as inductively coupled plasma mass spectrometry, offer high sensitivity, their practical application is limited because they rely on large-scale equipment and complex sample pre-treatment processes. Single-emission fluorescence probes are simpler but can be affected by variations in probe concentration, excitation intensity, and measurement conditions. In this study, a dual-emission nanohybrid that consists of poly(9,9-di-n-hexylfluorenyl-2,7-diyl) (PDHF) and bovine serum albumin (BSA), termed as PDHF-Pdots/BSA-AuNCs nanohybrid, …


Iron(Ii)/Cobalt(Ii)-Mediated Silicon And Carbon Quantum Dots For Nanozyme Activity And Fluorescence Sensing Of Hydrogen Peroxide And Glucose, Kang Qin Jan 2026

Iron(Ii)/Cobalt(Ii)-Mediated Silicon And Carbon Quantum Dots For Nanozyme Activity And Fluorescence Sensing Of Hydrogen Peroxide And Glucose, Kang Qin

Dissertations and Theses

Silicon quantum dots (SiQDs) and carbon quantum dots (CQDs) have been widely studied as fluorescent nanomaterials for sensing applications. In this thesis, we developed two different nanomaterials, SiQDs and CQDs, and investigated their catalytic activities and applied them for the detection of hydrogen peroxide and glucose. In the first project, Co2+-mediated SiQDs were synthesized through a hydrothermal method. The obtained nanoparticles showed obvious peroxidase-like activity toward the oxidation of tetramethylbenzidine (TMB) in the presence of H2O2 under acidic conditions. Moreover, a weak oxidation of TMB was also observed without H2O2, suggesting the existence of oxidase-like activity. To better understand the …


Superelectrophile Promoted Synthesis Of Heterospirocycles, Mariam A. Adegbenro Jan 2026

Superelectrophile Promoted Synthesis Of Heterospirocycles, Mariam A. Adegbenro

Graduate Research Theses & Dissertations

Spirocycles are important scaffolds with a wide range of applications in material science as well as in medicine. The introduction of a heteroatom into the spirocyclic framework can improve its electronic, photophysical, and structural properties. Various reports have been published on the incorporation of atoms other than carbon into the spirocycle. The work outlined in this dissertation involves the development of synthetic methodologies for the synthesis of hetero-spirocycles via superacid-promoted cyclization reactions. These concepts are summarized in Chapter 1.

Chapter 2: Aromatic imines were prepared from 9-fluorenone and azafluorenones, and these substrates were reacted in the Brønsted superacid, triflic acid, …