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Improving Modeling Of Corrosion Products In The Primary Circuit Of Light Water Reactors Through The Experimental Determination Of Crud Characteristics, Sri Saravana Konganapuram Narasimma Bharathi Jan 2026

Improving Modeling Of Corrosion Products In The Primary Circuit Of Light Water Reactors Through The Experimental Determination Of Crud Characteristics, Sri Saravana Konganapuram Narasimma Bharathi

Electronic Theses & Dissertations (2024 - present)

High-temperature water flowing through the coolant circuits in pressurized water reactors (PWRs) creates a harsh environment, deteriorating these materials. This corrosion results in the formation of oxide layer(s) primarily composed of nickel ferrites, iron oxides, nickel oxides, and other nickel-iron-chrome spinel oxides. Being exposed to fluid with high flow rates and pressure, these oxide layers can be eroded, resulting in particulate fouling due to the release of corrosion products (Chalk River Unidentified Deposits, CRUD) into the coolant circuit. When CRUD subsequently deposits on fuel surfaces, it negatively affects the fuel performance (heat transfer and fuel failure); in addition, the particles …


Application Of Organic Geochemistry To The Characterization Of Hydrochar And Biochar: Insights Into Composition And Optimization, Michael A. Kruge, Teresa A. Centeno, Alvaro Amado-Fierro, José Manuel González-Lafuente, Rubén Forján, José Luis Gallego Jan 2026

Application Of Organic Geochemistry To The Characterization Of Hydrochar And Biochar: Insights Into Composition And Optimization, Michael A. Kruge, Teresa A. Centeno, Alvaro Amado-Fierro, José Manuel González-Lafuente, Rubén Forján, José Luis Gallego

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

Hydrothermal carbonization has garnered significant attention in recent studies due to potential applications of the hydrochar produced, which overlap with those of torrefied biochar, including soil improvement, carbon sequestration, and energy production. However, unlike the relatively uniform properties of biochar, hydrochar characteristics can vary greatly depending on the feedstock used. Advanced characterization techniques are essential to better understand these materials and enhance their practical applications. Research on hydrochar requires a multi-faceted approach, including molecular-level studies, to optimize production processes and identify specific applications.

In this regard, analytical methods commonly used in organic geochemistry could play a crucial role in deepening …


Real-Space Imaging Of The Electron-Pair Density Hole In Molecular Auger-Meitner Decay, Mats Simmermacher, Nathan Goff, Andres Moreno Carrascosa, Elke Fasshauer, Thomas Northey, Lingyu Ma, Haiwang Yong, Brian Stankus, Asami Odate, Xuan Xu, Wenpeng Du, Kyle Acheson, Joseph C. Cooper, Daniel Ratner, Mengning Liang, Ruaridh Forbes, Michael P. Minitti, Adam Kirrander, Peter M. Weber Jan 2026

Real-Space Imaging Of The Electron-Pair Density Hole In Molecular Auger-Meitner Decay, Mats Simmermacher, Nathan Goff, Andres Moreno Carrascosa, Elke Fasshauer, Thomas Northey, Lingyu Ma, Haiwang Yong, Brian Stankus, Asami Odate, Xuan Xu, Wenpeng Du, Kyle Acheson, Joseph C. Cooper, Daniel Ratner, Mengning Liang, Ruaridh Forbes, Michael P. Minitti, Adam Kirrander, Peter M. Weber

Physics Faculty Publications

Electrons in matter can rearrange extremely quickly under external perturbations, underpinning subsequent structural and chemical transformations. Coulomb interactions between neighbouring electrons often shape this response, giving rise to correlated motion and strongly affecting the distribution of electrons in the system. Here we show that non-resonant hard X-ray scattering can directly access changes in the radial electron-pair density during the rapid rearrangement of core and valence electrons. We do this by studying sulfur hexafluoride molecules undergoing Auger–Meitner decay. We exploit a second-order interaction between the X-ray photons and the molecules to trigger and probe the decay dynamics with a single pulse, …


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 …


Investigation Of Fine-Grain Cu And Cu Alloys For Low-Temperature Hybrid Bonding Applications, Sarabjot Singh Jan 2026

Investigation Of Fine-Grain Cu And Cu Alloys For Low-Temperature Hybrid Bonding Applications, Sarabjot Singh

Electronic Theses & Dissertations (2024 - present)

Hybrid bonding has emerged as a key enabler for next-generation three-dimensional (3D) integration, offering fine-pitch interconnects and improved electrical performance. However, conventional Cu–Cu hybrid bonding typically requires elevated temperatures to achieve sufficient diffusion and interface quality, posing challenges for temperature-sensitive device integration and process compatibility. This work investigates materials engineering approaches to enable low-temperature Cu–Cu bonding through both microstructure design and alloying strategies.

This work begins by examining grain refinement in Cu as a pathway to enhance diffusion through increased grain boundary density, providing efficient atomic transport without introducing additional elements. Three Cu-based systems Cu–Co, Cu–Ag, and Cu–Al were systematically …


Photo And Spatial Control Of Rna Structures And Functions: Exploring Positional Effects And Photo-Responsiveness Of Azobenzene Modified Nucleotides, Jinxi Du Jan 2026

Photo And Spatial Control Of Rna Structures And Functions: Exploring Positional Effects And Photo-Responsiveness Of Azobenzene Modified Nucleotides, Jinxi Du

Electronic Theses & Dissertations (2024 - present)

RNA molecules perform many important biological functions by forming complex three-dimensional structures stabilized by base pairing, tertiary interactions, and metal ion coordination. Because RNA function depends strongly on its structure, methods that allow reversible control of RNA conformation and activity are important for understanding RNA behavior and for potential therapeutic applications. However, achieving reversible and site-specific control of RNA structure, especially at the single-nucleotide level, remains challenging. In this dissertation, I developed and applied azobenzene-modified nucleotides as a chemical tool to enable optical and spatial control of RNA structure and function.

The first part of this dissertation focuses on establishing …


The Chemistry Of Red Lipstick: The Impact Red Lipstick Has On Society, Lilliana Weldeslassie Jan 2026

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

Electronic Theses & Dissertations (2024 - present)

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


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 …


Concerted Proton Transfer In Homogeneous And Heterogeneous Cyclic Hydrogen-Bonded Clusters Of H2o, Hf, And Hcl, Max R. Tucker, Yuan Xue, Nathan R. Speake, Eden Nickolson, Jeremy M. Carr, Gregory S. Tschumper Jan 2026

Concerted Proton Transfer In Homogeneous And Heterogeneous Cyclic Hydrogen-Bonded Clusters Of H2o, Hf, And Hcl, Max R. Tucker, Yuan Xue, Nathan R. Speake, Eden Nickolson, Jeremy M. Carr, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

This work examines various homogeneous and heterogeneous clusters of hydrogen-bonded (HF)x(H2O)y(HCl)z complexes, where x + y + z = 3 or 4. For each unique cyclic structure associated with the xyz permutations, the geometries of the reactant, product, and transition state (TS) for concerted proton transfer (CPT) were fully optimized using second-order Møller-Plesset perturbation theory (MP2) with a mixed basis set consisting of cc-pVTZ for H atoms and aug-cc-pVTZ for O, Cl, and F atoms (denoted haTZ). Harmonic vibrational frequencies were also computed at the same level of theory to verify the nature of the stationary points. Intrinsic …


Scalable Transfer Of Dna Origami–Directed Nanoparticle Arrays Onto Functional Surfaces Using Thermal Release Tape, Yuwei Zhang, Chikadibia Genevieve Edward, Ethan Keuhn, Shelley D. Minteer, Risheng Wang Jan 2026

Scalable Transfer Of Dna Origami–Directed Nanoparticle Arrays Onto Functional Surfaces Using Thermal Release Tape, Yuwei Zhang, Chikadibia Genevieve Edward, Ethan Keuhn, Shelley D. Minteer, Risheng Wang

Chemistry Faculty Research & Creative Works

Precise integration of DNA origami nanostructures onto functional substrates is essential for advancing electronics, photonics, and biosensing. However, most surface-assembly methods are highly sensitive to substrate type, limiting their broader applications. Here, we introduce a thermal release tape (TRT)-assisted transfer method that enables efficient, large-area printing of DNA origami-guided gold nanoparticle (AuNP-DNA origami) arrays from mica onto diverse surfaces. The method relies on differential adhesion: AuNP-DNA origami arrays form strong electrostatic and hydrogen-bonding interactions with 3-aminopropyltriethoxysilane (APTES)-functionalized receiver substrates, while the TRT adhesive weakens upon heating to 120°C, allowing release from the tape. Using this approach, well-ordered AuNP-DNA origami arrays …


Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For Conformance Control In Ultra-High Temperature Reservoirs, Yanbo Liu, Tao Song, Caleb Kwasi Darko, Thomas P. Schuman, Mingzhen Wei, Baojun Bai Jan 2026

Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For Conformance Control In Ultra-High Temperature Reservoirs, Yanbo Liu, Tao Song, Caleb Kwasi Darko, Thomas P. Schuman, Mingzhen Wei, Baojun Bai

Chemistry Faculty Research & Creative Works

Preferential fluid flow remains a major challenge in subsurface energy production and gas storage operations, resulting in excessive water production in mature oil fields, reduced heat extraction in geothermal reservoirs, and low sweep and storage efficiency in CO2-EOR projects. Polymer gels are widely used to mitigate high-permeability channels; however, conventional systems exhibit limited plugging efficiency and short lifetimes in ultra-high-temperature reservoirs due to poor thermal stability. This study presents a novel ultra-high-temperature-resistant preformed particle gel (UHT-PPG) developed for conformance control in reservoirs with temperatures of 150–275 °C and severe super-K or channeling problems. The material was evaluated in …


Volatile Organic Compound Analysis Of Humboldt Penguin (Spheniscus Humboldti) Preen Oil: A Pilot Study, Dante E. Rojas, Mitchell M. Mccartney, Eva Borras, Michael O. Eze, Abigail Pietrow, Jennifer J. Valvo, Cristina E. Davis Jan 2026

Volatile Organic Compound Analysis Of Humboldt Penguin (Spheniscus Humboldti) Preen Oil: A Pilot Study, Dante E. Rojas, Mitchell M. Mccartney, Eva Borras, Michael O. Eze, Abigail Pietrow, Jennifer J. Valvo, Cristina E. Davis

Chemistry Faculty Research & Creative Works

Avian olfaction has gained prominence in recent decades for its roles in social communication and behavior. In penguins, the chemical characterization of preen oil remains limited. In this exploratory study, we characterized the volatile organic compound (VOC) profile of preen oil from Humboldt Penguins (Spheniscus humboldti). Preen oil from 12 captive individuals was analyzed using headspace sorptive extraction (HSSE) coupled to gas chromatography–mass spectrometry (GC–MS). Chemometric analyses examined variation in VOC profiles by sex, age class, and breeding activity. We detected 54 compounds (20 tentatively identified), including linear alcohols, methyl ketones, carboxylic acids, saturated hydrocarbons, oxygenated and nitrogen-containing organics, prenolipids, …


Synthesis Of The Naga(S1−Xsex)2 Solid Solution From Mechanically Activated Precursors, Louisiane Verger, Julien Trébosc, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Olivier Hernandez, Eric Furet, Sébastien Chenu, David Le Coq, Laurent Calvez, Olivier Lafon Jan 2026

Synthesis Of The Naga(S1−Xsex)2 Solid Solution From Mechanically Activated Precursors, Louisiane Verger, Julien Trébosc, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Olivier Hernandez, Eric Furet, Sébastien Chenu, David Le Coq, Laurent Calvez, Olivier Lafon

Chemistry Faculty Research & Creative Works

NaGaS2 and NaGaSe2 are two recently discovered compounds that crystallize in the same structure type. In this work, NaGa(S1−xSex)2 (x = 0.5, 0.75 and 1) are prepared using an alternative synthesis route, mechanochemistry followed by heat treatment. Na2S, Na2Se, Ga2S3 and Ga2Se3 are milled in stoichiometric proportions. Differential scanning calorimetry, X-ray diffraction and solid-state nuclear magnetic resonance (23Na and 71Ga) show that the compounds after milling are composed of crystalline NaGa(S1−xSex)2 with an amorphous part. …


Progression Toward Terminal Oxidation Of Starch Via Hybrid Organic–Enzymatic Bioanode For Renewable Carbohydrate Conversion, Adam Milam, Jose Intano, Shelley D. Minteer Jan 2026

Progression Toward Terminal Oxidation Of Starch Via Hybrid Organic–Enzymatic Bioanode For Renewable Carbohydrate Conversion, Adam Milam, Jose Intano, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

The performance of starch-based biofuel cells is fundamentally limited by inefficient utilization of the fuel's inherent energy density. Sequential oxidation of carbohydrate fuels, such as glucose, the monomeric unit of starch, using minimal catalyst systems has therefore emerged as a promising strategy to improve biofuel cell efficiency. Here, we extend a previously reported three-catalyst, organic–enzymatic glucose oxidation cascade to polymeric carbohydrate fuels by integrating enzymatic starch depolymerization with downstream electrochemical oxidation. To our knowledge, this represents the first demonstration of a defined hybrid organic–enzymatic cascade designed to drive progression of starch-derived glucose equivalents toward terminal oxidation using a minimal catalyst …


Soft-Chemical Scalable One-Pot Aqueous-Medium Synthesis Of Na3(Vo)2(Po4)2f-Based Cathodes: Compositional Tuning And Electrochemical Performance In Na- And Li-Ion Batteries, Prashanth Sandineni, Subal Chandra Manna, Sutapa Bhattacharya, Santhoshkumar Sundaramoorthy, Ramesh Deokate, Milad Aghayi-Anaraki, George E. Sterbinsky, Kartik Ghosh, Amitava Choudhury Jan 2026

Soft-Chemical Scalable One-Pot Aqueous-Medium Synthesis Of Na3(Vo)2(Po4)2f-Based Cathodes: Compositional Tuning And Electrochemical Performance In Na- And Li-Ion Batteries, Prashanth Sandineni, Subal Chandra Manna, Sutapa Bhattacharya, Santhoshkumar Sundaramoorthy, Ramesh Deokate, Milad Aghayi-Anaraki, George E. Sterbinsky, Kartik Ghosh, Amitava Choudhury

Chemistry Faculty Research & Creative Works

One of the most important cathode materials for Na-ion batteries, Na3(VO)2(PO4)2F, and its compositional variants have been synthesized using four different and facile one-step soft chemical routes. The as-synthesized compounds, Na2.95(VO)2(PO4)2F (I), Na2.93(VO)2(PO4)2F (II), and Na2.58(VO)2(PO4)2F (IV), crystallize in the tetragonal crystal system in the P42/mnm space group, while Na3(VO)2(PO4)2F (III) crystallizes in the orthorhombic crystal system in …


Closing The Nitrogen Loop In Groundwater With Biohybrid Technologies, Linjie Zhou, Biao Li, Jianhua Guo, Shelley D. Minteer, Yifeng Zhang Jan 2026

Closing The Nitrogen Loop In Groundwater With Biohybrid Technologies, Linjie Zhou, Biao Li, Jianhua Guo, Shelley D. Minteer, Yifeng Zhang

Chemistry Faculty Research & Creative Works

Nitrate in groundwater should be treated as a nitrogen source rather than a contaminant. Biohybrid technologies coupling microbial selectivity with renewable electro(photo)chemical energy offer opportunities to convert nitrate to value-added ammonium, although challenges remain in scalability, microbial stability, material–microbe integration, process engineering, regulatory compliance, and economic feasibility.


Swimming In Uncertainty: Filling Data Gaps And Providing An Educational Platform For Beach Water Quality At Tybee Island, Georgia, Lukas Roberson Jan 2026

Swimming In Uncertainty: Filling Data Gaps And Providing An Educational Platform For Beach Water Quality At Tybee Island, Georgia, Lukas Roberson

College of Graduate Studies: Theses & Dissertations

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Swimming in beaches water contaminated with high levels of bacteria can make you sick. Current monitoring at the public beaches on Tybee Island consists of weekly monitoring and enumeration of fecal indicator bacteria that takes 24 hours for results. If the number of bacteria exceed regulatory limits, a public health advisory is issued, and affected waters are retested until …


Flexible Membrane Electrodes For Use In High-Capacity Lithium-Ion Batteries, David A. Denemark Jan 2026

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

College of Graduate Studies: Theses & Dissertations

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


Redox-Mediator Enhanced Electrochemiluminescence Under Non-Aqueous Conditions, Steven J. Blom, Fazeleh Mesgari, El M.S. Martin, Egan H. Doeven, David J. Hayne, Timothy U. Connell, Peter J. Barnard, Narges Saeedizadeh, Seyed Mohammad Jafar Jalali, Paul S. Francis Jan 2026

Redox-Mediator Enhanced Electrochemiluminescence Under Non-Aqueous Conditions, Steven J. Blom, Fazeleh Mesgari, El M.S. Martin, Egan H. Doeven, David J. Hayne, Timothy U. Connell, Peter J. Barnard, Narges Saeedizadeh, Seyed Mohammad Jafar Jalali, Paul S. Francis

Research outputs 2022 to 2026

The introduction of small-molecule redox mediators into aqueous co-reactant electrochemiluminescence (ECL) systems has emerged as an effective strategy to increase signal intensity. Herein, we investigate the influence of a series of neutral iridium(iii) complexes (Ir(pmi)3, Ir(ppy)3, Ir(ppz)3 and Ir(ppy)2(acac)) as redox mediators for co-reactant ECL in acetonitrile. Using [Ru(bpy)3]2+ as a benchmark luminophore and tri-n-propylamine (TPrA) as a co-reactant, the redox mediators elicit similar effects in this solvent to those of their sulfonated [Ir(sppy)3]3− and [Ir(sppz)3]3− analogues under aqueous conditions. The Ir(ppz)3 complex was most effective; at a concentration of 100 µM it produced an 11-fold increase …


Rapid Classification And Quality Assessment Of Citrus Essential Oils Via Machine-Learning-Assisted Raman Spectroscopy, Yong Xuan Hong, Jia Wei Tang, Jie Chen, Yun Yun Xie, Zhang Wen Ma, Qing Hua Liu, Liang Wang Jan 2026

Rapid Classification And Quality Assessment Of Citrus Essential Oils Via Machine-Learning-Assisted Raman Spectroscopy, Yong Xuan Hong, Jia Wei Tang, Jie Chen, Yun Yun Xie, Zhang Wen Ma, Qing Hua Liu, Liang Wang

Research outputs 2022 to 2026

Citrus essential oils (EOs) require accurate identification and assessment to ensure authenticity and consistency. However, conventional techniques such as gas chromatography (GC) and mass spectrometry (MS) are time-consuming and expensive, highlighting the need for novel analytical methods. This study proposes an approach for EOs detection using Raman spectroscopy (RS) combined with machine learning (ML) algorithms. Six citrus EOs underwent an evaporation experiment, with Raman spectra collected at five time points and GC-MS was used to analyze compositional changes at the starting and ending points of evaporation as a standard reference. Five ML algorithms were developed to identify differences among EOs …


Exploring New Poly-Anion Based Materials For Lithium – Ion Battery Cathodes, Sutapa Bhattacharya Jan 2026

Exploring New Poly-Anion Based Materials For Lithium – Ion Battery Cathodes, Sutapa Bhattacharya

Doctoral Dissertations

The escalating global demand for sustainable energy storage solutions has driven intensive research into novel electrode materials. Polyanion-based cathode materials have emerged as promising candidates due to their structural stability, safety, and voltage tunability enabled by the inductive effect of polyanionic groups. This research explores the synthesis, crystal structure, and electrochemical performance of new polyanion-based cathode materials featuring vanadium, molybdenum, and iron within phosphate and selenite frameworks.

Novel selenite-based materials, such as LiFe(SeO₃)₂ and Li₀.₂₅V₂O₃(SeO₃)₂, were synthesized and characterized, revealing stable electrochemical cycling associated with Fe2+/Fe3+ and V⁴⁺/V⁵⁺ transitions. Additionally, a systematic investigation was conducted on molybdenum phosphate compounds, including …


Theoretical Study Of Long-Range Molecular Interactions, Adrian Luis Batista-Planas Jan 2026

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 …


Computational Design Of Nanoporous Materials For The Adsorption Of Per- And Polyfluoroalkyl Substances, Daniel D. Mottern Dec 2025

Computational Design Of Nanoporous Materials For The Adsorption Of Per- And Polyfluoroalkyl Substances, Daniel D. Mottern

Dissertations

Per- and polyfluoroalkyl substances (PFAS) are a large family of chemicals that have seen wide usage due to their fluorinated carbon backbone. The presence of strong C-F bonds in the backbone lends PFAS molecules high thermal and chemical stability, as well as strong hydrophobicity and lipophobicity. This combination of properties has led to heavy use of PFAS as surfactants, non-stick coatings, and aqueous foam forming films and flame retardants. However, these properties bring their own consequences. The high chemical and thermal stability of PFAS renders them persistent, with the C-F bonds resisting naturally occurring forms of degradation. Existing forms of …


Data-Driven Analysis And Atomistic Simulations Of Next-Generation Materials For Energy Conversion And Storage, Yuliang Shi Dec 2025

Data-Driven Analysis And Atomistic Simulations Of Next-Generation Materials For Energy Conversion And Storage, Yuliang Shi

Dissertations

Metal-organic frameworks (MOFs), with their modular architectures and tunable properties, represent an especially rich domain for accelerated material design and discovery for a range of diverse applications. Within this class of multifunctional materials, two-dimensional (2D) electrically conductive MOFs (EC MOFs) are of particular interest, as their 7r-stacked layered structures combine permanent porosity with electronic conductivity, enabling potential breakthroughs in energy storage, energy conversion, and quantum sensing. But the discovery and design of new EC MOFs based on expensive experimental screening is increasingly impractical due to the infinite chemical space. Furthermore, the practical implementation of EC MOFs for specific tasks depends …


Bio-Papcz: Corn Starch-Based Composite Bioplastic Reinforced With Pineapple Leaf Fiber (Palf), Zinc Oxide (Zno), And Polyvinyl Alcohol (Pva), Marvin C. Caya, Shervin Austin C. Huang, Jovar Khalel J. Maghari, Ruel M. Levida Dec 2025

Bio-Papcz: Corn Starch-Based Composite Bioplastic Reinforced With Pineapple Leaf Fiber (Palf), Zinc Oxide (Zno), And Polyvinyl Alcohol (Pva), Marvin C. Caya, Shervin Austin C. Huang, Jovar Khalel J. Maghari, Ruel M. Levida

Sinaya: A Philippine Journal for Senior High School Teachers and Students

Plastic pollution poses a serious global threat, as petroleum-based plastics persist for centuries, and their surging production of over 450 million tons overwhelms ecosystems (Ritchie et al., 2023). Using a quantitative experimental research design, the study examined the effects of varying concentrations of cornstarch-based bioplastic reinforced with pineapple leaf fiber (PALF), polyvinyl alcohol (PVA), and zinc oxide (ZnO) on the bioplastic’s tensile strength and soil degradability. Sample C2 (ZnO 3.0 %w/w; PVA 9.0 %w/w) demonstrated the optimal tensile properties with a tensile strength of 0.76 MPa and an elongation at break of 6.40%, which was attributed to the addition of …


Exploring The Metric Dimension Of The Graph Representing A Four-Ring Polycyclic Aromatic Hydrocarbon: Interstellar 1-Cyanopyrene, Andrei Matthew V. Robino, Sebastian Alex C. Traviña, Karl Benedict P. Narag, Mark Anthony B. Casao, Helix Raven C. Llanes, Azriel C. Alejo, Jonel C. Celamor Dec 2025

Exploring The Metric Dimension Of The Graph Representing A Four-Ring Polycyclic Aromatic Hydrocarbon: Interstellar 1-Cyanopyrene, Andrei Matthew V. Robino, Sebastian Alex C. Traviña, Karl Benedict P. Narag, Mark Anthony B. Casao, Helix Raven C. Llanes, Azriel C. Alejo, Jonel C. Celamor

Sinaya: A Philippine Journal for Senior High School Teachers and Students

A graph's metric dimension is a parameter that denotes the minimum possible number of vertices in a subset that gives each vertex in the graph a unique representation. Despite extensive research on the metric dimension of polycyclic aromatic hydrocarbons (PAHs), there is currently no focused analysis on the metric basis and metric dimension of 1-cyanopyrene. In chemistry, graphs can be used to depict molecular structures. In this study, graph theory, specifically the concept of metric dimensions, is applied to the molecular structure of 1-cyanopyrene, which was detected in space for the first time in 2024. 1-cyanopyrene is a molecule made …


Integration Of Islamic Values In Mathematics Learning, Ai Mulya, Surya Faradiba Dec 2025

Integration Of Islamic Values In Mathematics Learning, Ai Mulya, Surya Faradiba

Jurnal Pendidikan Sains

This study aims to identify the integration of Islamic values in mathematics learning and its contribution to student character development. The method used is a systematic literature study by reviewing relevant accredited scientific articles. The results of the study indicate that the integration of Islamic values is carried out through the preparation of Islamic-context-based mathematics problems, linking concepts to verses of the Qur'an and hadith, the application of ethnomathematics with Islamic cultural nuances, and the introduction of Islamic economic concepts. The dominant values that emerge include honesty, responsibility, discipline, justice, and piety. These findings indicate that the integration of Islamic …


Understanding The Fidelity And Specificity Of Dna Polymerase I, Bill R. Miller Iii, Andrew V. Yeager, Jake A. Collins, Alexis Blake, Elise Tate, Carol A. Parish, Eugene Y. Wu Dec 2025

Understanding The Fidelity And Specificity Of Dna Polymerase I, Bill R. Miller Iii, Andrew V. Yeager, Jake A. Collins, Alexis Blake, Elise Tate, Carol A. Parish, Eugene Y. Wu

Chemistry Faculty Publications

High-fidelity DNA polymerases employ complex mechanisms to catalyze template-dependent DNA synthesis while quickly discarding mismatches. Atomic-level structural details about short-lived states during nucleotide discrimination are necessary to gain insight into the kinetic checkpoints that contribute to fidelity. We performed microsecond molecular dynamics simulations of DNA polymerase I, large fragment, from Bacillus stearothermophilus (Bacillus fragment, or BF) in complex with a template guanine and a mismatched thymidine triphosphate to observe the early events in the process of selection against a mismatch. Although the nucleobases formed a wobble base pair early, the mismatched pair was blocked from fully entering the active site …


Physicochemical, Pharmacognostic Standardisation And Phytochemical Analyses Of The Homoeopathic Drug Justicia Adhatoda, Bibaswan Biswas, Satish Patel, Digvijay Verma, Satyajit Maity, Shilpi Singh, Paulami Majumdar, Narasimha Kumar Gv Dec 2025

Physicochemical, Pharmacognostic Standardisation And Phytochemical Analyses Of The Homoeopathic Drug Justicia Adhatoda, Bibaswan Biswas, Satish Patel, Digvijay Verma, Satyajit Maity, Shilpi Singh, Paulami Majumdar, Narasimha Kumar Gv

Indian Journal of Research in Homoeopathy

Background: Justicia adhatoda (J. adhatoda), also well known as Vasaka in India is a medicinal plant chiefly used to treat respiratory ailments in traditional and alternative medical systems. Objective: This study aimed to establish the physicochemical, pharmacognostic, and phytochemical standardisation parameters of the drug. The study involved the measurement of physicochemical parameters and chemical profiling of the raw drug. The chemical characteristics of the in-house mother tincture (prepared from in-house raw drug) and commercial mother tinctures available in India were also evaluated to assess the quality of commercially available mother tinctures. Materials and Methods: The present study …


Detection Of Ultra-Trace Levels Of Copper In Seawater Using A Bare Gold Microwire Electrode And A Portable Digital Voltammeter, Luke M. Brosnan, Wade Lonsdale, Paul Pringle, Paul Lewtas, Samantha Ridgway, Sebastien Allard, Magdalena Wajrak Dec 2025

Detection Of Ultra-Trace Levels Of Copper In Seawater Using A Bare Gold Microwire Electrode And A Portable Digital Voltammeter, Luke M. Brosnan, Wade Lonsdale, Paul Pringle, Paul Lewtas, Samantha Ridgway, Sebastien Allard, Magdalena Wajrak

Research outputs 2022 to 2026

The accumulation of biomass on ship hulls (biofouling) can greatly decrease their fuel efficiency. Many antifouling coatings contain copper as a biocidal agent, which can be released during hull cleanings and is of particular concern when cleaning the hulls in situ (i.e., without dry docking). Previously established voltammetric methods for the detection of copper in seawater using a gold microwire electrode have been modified and adapted to a portable on-site voltammetric technique. Notable differences from previous voltammetric methods include the use of linear sweep voltammetry, analysis under atmospheric conditions, alternating the potential during the deposition period and the use of …