Chemistry Commons^™

Computational Insights Into Nucleosome Dynamics In Epigenetics Using Molecular Dynamics Simulations, Rutika Patel

Dissertations, Theses, and Capstone Projects

Nucleosome core particles (NCP) are the building blocks that form a highly organized and compact chromatin structure. Nucleosomes package DNA in the nucleus of eukaryotic cells. The NCP consists of about 147 base pairs of DNA wrapped around the histone octamer, with 1.65 superhelical turns in a left-handed manner. The histone octamer is composed of two copies of H3, H4, H2A, and H2B. Together with histone H1 and linker DNA, they further assemble into a higher-order chromatin structure. The nucleosome complex is stabilized by electrostatic interactions between positively charged histone residues and the negatively charged DNA backbone. To effectively access …

Thermally Induced Color Changes In Iron Oxide Pigments Used In Architectural Coatings, Han Diep

Master's Theses

The 2025 Palisades Fire was one of the most destructive wildfires in the history of Los Angeles, destroying thousands of structures and severely impacting the communities after. This widespread destruction demonstrated an urgent need for more effective wildfire prevention strategies. Architectural coatings do not only provide aesthetics and protection against environmental conditions but can also function as a thermal indicator when a fire breaks out. This study examines the thermally induced color transformation of iron oxide pigments, commonly used in earthtone paint, to provide information relevant to CAL FIRE for improved analysis of wildland-urban interface (WUI) fire behavior and mitigation …

Electrospun Nanofiber Scaffolds For In Vitro 3d Tissue Engineering, Victoria E. Santillan, Samerender Nagam Hanumantharao, Stephanie Bule, Ronish M. Shrestha, Carter Rodzik, Alan Mendoza Estrada, Stephen L. Farias, Marina Tanasova, Smitha Rao

Michigan Tech Publications

Tissue engineering is widely used in research for investigating cellular proliferation, behavior, and responses to various stimuli. However, the predictive value of preclinical studies using cell culture plates is limited by the inability to recapitulate the complexity of the physiological microenvironment. Synthetic three-dimensional (3D) scaffolds can be engineered to mimic the complex morphology of the extracellular matrix of native tissues and can serve as physiologically relevant platforms for preclinical studies. In this study, 3D electrospun scaffolds were characterized to aid in breast cancer research. Unlike previous studies that focused primarily on scaffold fabrication or cell viability, this work systematically evaluates …

Du Undergraduate Showcase Abstracts: Research, Scholarship, And Creative Works, Sophia Wismar, Henry Staats, Allison Metzler, Chloe Puckett, Rachel Levine, Christa Kilpatrick, Scott Wolf, Joe Walsh, Grace Doolittle, John Engebreston, Zoe Lopez, Christopher Aaby, Audrey Duff, Timothy Sisk, Katelyn Lamberton, Angela Narayan, Gilkah Argueta, Habiba Samir, Girena Tesfazghi, Genet Kenore, Sinit Tesfamariam, Effley Brooks, Abi Newell, Megan Doherty, Natalie Baer, Lexi Blood, Talya Riciputi, Jessica Jimenez, Devin Hernandez, Lynn Clark, Taj Kumar, Sunil Kumar, Allen Rutman, Mira Pronobis, Tess Carson, Anna Sher, Frankie Stroud, Tamra Pearson D'Estree, Alyssa Wilson, Emily Melnick, Jenalee Doom, Yihang Gao, Gwendolyn Geiger, Noah Gettle, Scott Nichols, Clare Ayoub, Cara Dienno, Sunny Walker, Zoe Hansen, Maya Wheeler, Addison Rice, Patrick Martin, Sanjana Acharya, Daniel Mcintosh, Amanda Mckellips, Calli Cain, Justin Blake, Peter Sokol-Hessner, Natalie Miller, Max Weisbuch, Sophia Dellota, John Macikas, Charlotte Snow, Mark Siemens, Zoe Lynch, Alex Huffman, Prachi Shah, Jason Roney, Halcyon Levi, Nicole Herzog, Andrea Koly, Daniel Linseman, Annie London, Xi Yang, Avery Zwisler, Jane Smith, Chaz Contag, Michael Kerwin, Lucy Rand, Grace Schroeder, Michelle Rozenman, Nissa Tapper, Guiming Zhang, Mateo Mazariego-Halpern, Keith Meyer, Julie Do, Dakota Park-Ozee, Travis Herink, Kara Neu, Jonathan Plomin, Eve-Odine Duchaufour, Debbie Gale Mitchell, Tennyson Anderson-Stricklin, Lily Treitz, Samantha Rosenberger, Sierra Griffith, Finley Joseph, Daniel Sampson, Emmy Davis, Skyler Kasnoff, Evon Lopez, Vivian Nguyen, Cassy Young, Franklin Sellner, Martin Tobon, Ila Graham, Zach Billings, Holden Hedit, Decatur Boland, Paul Kosempel, Cory Chandler, Jay Mahoney, Sam Dragan, Susan Dagget, Yarrow Ator, Heidi Vuletich, Owen Weber, Andrew Kloeppel, Petersen Gray, Mandi Schaeffer-Fry, Razleen Bassra, Bryanna Rodriguez, Christina Blue, Taubie Sanders, Rachel Epstein, Luke Milburn, Camryn Evans, Ezra Martinez, Mary Westwood, Gabri Notov, Robin Tinghitella, Lilou Cabrol, Eli Barbour, Juliet Mendik, Selma Myers, Zac Wise, Noah Fahlin, Michelle Knowles, Abigail Hopper, Michael Greenberger, Romi Laclair, Sarah Watamura, Sabrina Efroymson, Casey Barker, Sydney Seltzer, Bryn Yehle, Jennifer Hoffman, Sara Garcia, Ryuka Nagamine, Trevor Briggs, Remy Le Boeuf, Elena Krone, Eileen Farrell, Regan O'Rourke, Elena Roel, Greg Mortimer, Ali Ayoub, Stefani Langehennig, Caitlin Turk, Logan Scmid, Stefan Chavez-Norgaard, Karen Kim, Tatiana Peccedi, Courtney Cassidy, John Sebesta, Rhianna Lewis, Janice Bening-Lacek, Vivian Lawless, Mckenna Hanson, Jeffrey Amidon, Riya Joshi, Ram Ambre, Brady Worrell, Perrin Schneider, Ali Azadani, Brooke Agulnek, Lyndsie Salvagio, Elise Siemanowki, Yan Qin, Andre Allen, Melodie Nguyen, Megan Livengood, Abby Reams, Saffron Hartreeve, Bri Wylie, Sarah Brookman, Mariah Loiacono, Green Russo, Abhia Lodhi, Gabrielle Welsh, Nika Spehar, Shahked Levin, Evrim Baykal, Kimberly Chiew, Jocelyn Torres, Kailey Hicks, Mykaela Tanino-Springsteen, Audrey Bellows, Akam Chahal, Madeline Tepper, Shannon Murphy, Alexa Fonseca, Deborah Han, Cassandra Perez, Oluwatoyin Alaba, Julia Roncoroni, Vy Nguyen, Nana Burn, Sarah Sasse, Rubin Tuder, Anthony Gerber, Nancy Lorenzon, Christine Vohwinkel, Camryn Gunter, Tristan Weber, Sam Rommel, Brian Michel, Muskan Fatima, Alannah Oleson, Kira Frey, Edward Garrido, Beckett Morris, Kerstin Haring, Drew Middleton, Abigail Walpert, Liam Dee, Gabby Ishaw, Cole Carnes, Maddie Weiser, Claire Fox, Valeriia Vlasenko, Kateri Mcrae, Riley Smith, Abigail Templin, Kushani Rajapaksha

DU Undergraduate Research Journal Archive

Abstracts from the DU Undergraduate Research Showcase.

Modulating Electronic Structure With Linearly Fused Pyrazine Units For High-Voltage And Stable Zinc-Organic Batteries Cathode, Min-Jian Zhao, Li-Bin Zhang, Jin-Tao Wang, Kun Ding, Hai-Mei Liu, Yong-Gang Wang

Journal of Electrochemistry

High-voltage n-type organic cathode materials are critical for constructing zinc-organic batteries (ZOBs) with high energy density and long cycle life. However, the intrinsically unfavorable electronic structures and relatively high LUMO energy levels of most n-type materials often lead to sluggish kinetics, high solubility, and suboptimal discharge voltages (< 0.8 V). Here, we design a small molecule, quinoxalino[2’,3’:5,6]pyrazino[2,3-f][1,10]phenanthroline (DPQP), as a ZOB cathode by introducing locally electron-deficient motifs into the conjugated backbone of aromatic compounds. The linearly fused pyrazine units extending the pyrazine–benzene framework effectively optimize the electronic structure, thereby significantly enhancing the discharge voltage. Meanwhile, the expanded π-conjugated plane suppresses dissolution and accelerates charge-transfer kinetics. Benefiting from these features, the DPQP electrode exhibits an exceptional increase in average operating voltage from 0.61 V to 1.07 V (vs. Zn²⁺/Zn) at 0.1 A·g^–1, with an overpotential of only 140 mV. Notably, no discernible voltage decay occurs as the current density increases, indicating rapid and highly reversible redox kinetics. Furthermore, the DPQP cathode delivers outstanding cycling stability, maintaining over 2000 h of continuous operation at 0.1 A·g^{–1 …}

(Co,Ni,Mn,Cu,Zn)O High-Entropy Oxide Nanotubes As Efficient Bifunctional Electrocatalyst For Oxygen Evolution And Hydrazine Oxidation Reactions, Pan-Yan Chen, Wan-Wan Wu, Heng Bian, Wei-Wei Li, Xin-Sheng Zhao, Lu Wei

Journal of Electrochemistry

High-entropy oxides (HEOs) present significant scientific challenges in both design and synthesis due to their multielement and high-entropy nature, which involves complex combinations of multiple metal cations and oxygen anions, typically arranged in equimolar ratios to achieve structural stability. Herein, one-dimensional (Co,Ni,Mn,Cu,Zn)O high-entropy oxide nanotubes (HEO-NTs) are fabricated by means of a gradient electrospinning strategy with a tailored polyvinyl alcohol (PVA) molecular weight distribution and controlled pyrolysis. Benefiting from the HEO features and the synergistic effect of multicomponent sites, the as-synthesized (Co,Ni,Mn,Cu,Zn)O HEO-NTs exhibit exceptional bifunctional electrocatalytic activity for the oxygen evolution and hydrazine oxidation reactions (OER/HzOR). This study offers …

How Fe(Ii)/2-Oxoglutarate Oxygenase Chooses Chlorination Over Hydroxylation: Electric Field-Driven Ligand Exchange Governs C-Cl Formation, Simahudeen Bathir Jaber Sathik Rifayee, Midhun George Thomas, Anandhu Krishnan, Kritika Gupta, Carter Davis, Tatyana Karabencheva-Christova, Christo Z. Christov

Michigan Tech Publications

Non-heme Fe(II)/2-oxoglutarate (2OG)-dependent halogenases catalyze highly selective C-H halogenation. BesD is a non-heme Fe(II)/2OG halogenase that performs regio- and stereoselective chlorination of the l-lysine (l-Lys) substrate. Understanding the mechanism by which halogenation is favored over canonical hydroxylation is essential for guiding enzyme engineering efforts aimed at converting hydroxylases into halogenases. Here, we combine molecular dynamics (MD) and hybrid quantum mechanics/molecular mechanics (QM/MM) calculations to elucidate the origin of chlorination selectivity in BesD and variants derived from a homologous hydroxylase. Our results indicate that, although the initial inline Cl-Fe(III)-OH intermediate is inherently predisposed toward hydroxylation, it undergoes a two-step isomerization in …

High-Surface-Area Ficus Leaf-Extracted Cuo-Zno-Nio Ternary Nanocomposites For Rapid Adsorption-Assisted Uv-A Degradation Of Direct Blue 15, Kafa’A H. Ali, Mohammed A. Atiya, Ahmed K. Hassan

Karbala International Journal of Modern Science

Direct Blue 15 (DB15) is a long-lasting synthetic dye that pollutes water and is difficult to remove during wastewater treatment. Conventional treatments fail to remove DB15 adequately due to rapid electron-hole recombination, which necessitates photocatalysts with reduced recombination rates for effective dye removal. The study aims to synthesize and evaluate a CuO-ZnO-NiO ternary system as an integrated adsorption and UV-A photocatalysis platform for DB15 removal. Ficus leaf-extracted CuO-ZnO-NiO nanocomposites with four Cu:Zn:Ni ratios (1:1:1, 1:1:2, 1:2:1, 2:1:1) were prepared by co-precipitation, followed by extensive chemical and physical characterization and dye-removal performance measurements. The CuO-ZnO-NiO nanocomposite exhibited hexagonal zinc oxide, cubic …

Adsorption Of Pfas On Bridged Functionalized Organosilica Materials, Elisha Lawerh Kabutey

Electronic Theses and Dissertations

PFAS are hazardous contaminants that have a devastating impact on human health and the environment. Their hazardous nature has led to the development of various adsorption methods for removing these contaminants from water sources. In this study, functionalized organosilica materials were synthesized from bis[3-(trimethoxysilyl)propyl] amine using the sol-gel method. The surface amino groups of the organosilica were converted into amine hydrochloride groups. Their adsorption properties were evaluated using salts of perfluorooctanoic acid, perfluorooctanesulfonic acid, and perfluorobutanesulfonic acid. Results showed excellent adsorption capacity of the materials. Adsorption of PFAS leads to particle agglomeration and flotation of the spent material. A column …

2026 Workshop On Bridging The Gaps: Tackling Microplastics And Nanoplastics Challenges In Coastal Ecosystems, Shenghua Wu, Kaushik Venkiteshwaran, Melike Dizbay-Onat, Alexandra Stenson, Jinhui Wang, Tina Miller-Way, Ebenezer Nyadjro, Bhuvnesh Bharti, John Weinstein, Yi Bao, Shihui Shen, Valerie Longa, Shenghua Zha, John Cleary, Marty Lind

Workshops

This report presents the findings from the 2026 Workshop on Tackling Microplastics and Nanoplastics (MNPs) in Coastal Ecosystems, which took place in Mobile, Alabama. More than 140 experts from universities, government, industry, and community organizations gathered to address the increasing issue of MNPs in coastal regions.

Engineering Silicone Magnetic Fluids For Localized Radiation Attenuation During Ocular Melanoma Brachytherapy, Zachary L. Caprow

All Dissertations

Ocular melanoma is commonly treated using plaque brachytherapy; however, radiation-induced damage to healthy ocular tissues frequently results in partial or complete vision loss. This work investigates the development of an injectable, magnetically responsive silicone magnetic fluid designed to localize adjacent to the tumor and attenuate low-energy gamma radiation during treatment.

The material system consists of iron oxide nanoparticles surface-functionalized with a siloxane polymer, in which the nanoparticles provide magnetic responsiveness and radiation attenuation, while the polymer coating ensures colloidal stability, injectability, and biocompatibility. A one-pot synthetic approach was developed wherein a functionalized siloxane polymer containing iron-affinitive groups was reacted with …

Molecular Catalysts For Electrochemical Nitrogen Activation Toward Sustainable Ammonia Synthesis, Jin-Xiu Han, Hao Xue, Xian-Biao Fu

Journal of Electrochemistry

Homogeneous electrocatalytic nitrogen reduction reaction (NRR) provides a powerful framework to interrogate molecular nitrogen-fixation pathways under mild conditions. By tuning the metal center, ligand architecture, and reaction medium, these systems enable capturing key intermediates and delivering mechanistic insight at the molecular-level resolution. Nevertheless, advances remain constrained by highly reduced operating potentials, intense competition from the hydrogen evolution reaction (HER), limited durability in turnover, and inadequate long-term stability.

In this review, we take electron delivery to the molecular active site as the guiding principle for organizing homogeneous electrochemical N₂ activation and transformation. We classify reported systems into direct electron transfer …

Water-Driven Solid Electrolyte Interphase Governs Continuous-Flow Ammonia Electrosynthesis, Peng-Bo Liu, Sheng-Liang Zhai, Ji Huang, Zhong-Shuo Zhang, Jie Zeng, Shao-Feng Li

Journal of Electrochemistry

Flow-cell architectures have emerged as a powerful platform for continuous and stable lithium-mediated nitrogen reduction (Li-NRR), enabling ambient-condition electrochemical ammonia synthesis and offering a promising alternative to Haber-Bosch processes. However, Li-NRR is exceptionally sensitive to trace water, and even minor variations in water content can profoundly alter interfacial chemistry. Here, we systematically investigate how initial water concentration affects Li-NRR performance in a continuous-flow cell. Excess water drives the formation of a thick solid electrolyte interphase (SEI) layer, which may impede nitrogen access to metallic lithium and hinder lithium-ion transport. As a result, the ammonia Faradaic efficiency collapses from ~61% to …

Insertion Of Noble Metal Free Cathodic Catalyst Layer With Fe-N-C Catalyst For Boosted Performance Of Pemfc, Shi Zhou, Muhammad Tariq, Asif Nadeem Tabish, Muhammad Salman, Fan-Di Ning, Muhammad Rayyan Tayyab, Ran-Ran Peng, Meng-Geng Hao, Wen-Mu Li, Xiao-Chun Zhou

Journal of Electrochemistry

Economical Fe-N-C catalysts are considered as promising alternatives to platinum group metal catalysts for proton exchange membrane fuel cells (PEMFCs). Despite exhibiting robust activity on rotating disk electrodes, their performance within membrane electrode assemblies often experiences limitations, such as decreased O₂ diffusion, high H₂O₂ formation, low proton conduction, and a lower electron transfer number. In this study, key factors, including proton transport, electron conduction, and gas diffusion within air-breathing PEMFCs, have been investigated by adjusting cathode catalyst layer (CCL) compositions. From the experimental results, the optimal peak power density was obtained when the loading of Fe-N-C …

A Comparative Study Of Tin Electrorefining In Molten Licl–Kcl–Cacl₂: Experimental Two-Electrode Current Control And Theoretical Three-Electrode Potential Control, Bryant Johnson, George Ankrah, Ander Fuller, Devin Rappleye

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

Molten salt electrorefining is a mature technology for metal recovery, yet conventional current‑controlled, two‑electrode operation provides limited electrochemical selectivity and restricted insight into electrode‑specific behavior. In this work, a simplified model is developed to compare current‑controlled two‑electrode electrorefining data with a potential‑controlled three‑electrode electrorefining simulation using tin in molten LiCl–KCl–CaCl₂ as a surrogate for plutonium processing. The model examines anodic and cathodic limitations under fixed‑potential operation and evaluates implications for selectivity, efficiency, and runtime relative to experimentally demonstrated two‑electrode performance. Results indicate that independent potential control enables operation closer to thermodynamic selectivity limits, with the potential to suppress impurity oxidation …

Uptake And Fate Of Silver And Zinc Engineered Nanoparticles In Maize Under Single And Binary Dosing Soil Ecosystems, Lei Xu, Qingbo Yang, Xingmao Ma, Honglan Shi, John Yang, Hu Yang, Samira Mahdi, Ying Wang, Young Shin Jun

Chemistry Faculty Research & Creative Works

Recent agricultural applications of engineered metallic nanoparticles (ENPs) have raised concerns about their uptake and fate in plants. To understand this critical issue, this study investigated the fate and uptake of silver (Ag) and zinc oxide (ZnO) ENPs in maize (Zea mays L.) after single or binary ENP exposure in soil. Results indicated that both Zn and Ag elemental concentrations in roots increased with increasing ENP dosage. Ag NPs in the tissues were detected, but not Zn NPs. Ag NP concentration was 3 times higher in the roots than in the shoots at low Ag NP dosing, while Ag NP …

Techno-Enviro-Economic Analysis Of Precipitated Calcium Carbonate Production From Carbon Dioxide In Cement Industry Flue Gas And Calcium Hydroxide, Natalia Debora Panggabean, Widodo Wahyu Purwanto

Journal of Materials Exploration and Findings

CCUS is a technological solution to reduce emissions from the cement industry, which is the second largest CO2-intensive industry. This study aims to analyze technical, economic, and environmental performance of Precipitated Calcium Carbonate (PCC) synthesis in cement industry flue gas. The process simulation includes the CO2 capture system from cement plant, CO2 captured used as feedstock for PCC synthesis process through its reaction with calcium hydroxide. The simulation was carried out using ASPEN Plus software. Technical analysis was performed to determine the CO2 capture efficiency and PCC synthesis efficiency. Economic analysis was conducted to calculate CO2 capture cost and production …

Feasibility Analysis Of Thermal Oxidizer To Determine Remaining Life Using Fitness- For-Service Level 3 Method, Yudhi Yudistirawan, Donanta Dhaneswara, Wahyuaji Narottama Putra, Gama Widyaputra, Dewi Kurnia Suci, Agung Putra Mahardhika

Journal of Materials Exploration and Findings

An aged thermal oxidizer (TOX) in the oil and gas industry necessitates a comprehensive evaluation to ensure its continued safe operation. This study presents a Remaining Life Assessment (RLA) and a Fitness for Service (FFS) evaluation for the four main components of the TOX, in accordance with API 510, API 579/ASME FFS-1, and ASME BPVC Section VIII Div-1 standards. The investigation includes the determination of maximum stress and maximum temperature required to assess the operational viability of the reactor. The four components are radiant, convection, transition, and stack sections—were modeled using the finite element method (FEM). Following the geometric modeling, …

Assessing Passenger Electric Vehicle Growth Strategies And Their Impacts On Electricity Demand Load And Co2 Emissions In Aceh Province To Achieve Net Zero Emission Target By 2060, Taufik Hidayat, Widodo Wahyu Purwanto

Journal of Materials Exploration and Findings

The electrification of the transport sector is a crucial pathway for achieving Indonesia’s Net Zero Emissions (NZE) target by 2060. This study assesses the potential impact of passenger electric vehicle (EV) penetration on electricity demand and CO2 emissions in Aceh Province through a scenario-based modelling approach. Two policy-aligned scenarios are assessed: a low-penetration (LP) scenario and a high-penetration (HP) scenario. Using the Gompertz model and the ASIF framework, total CO2 emissions were projected from 2020 to 2060. Results show that although higher EV penetration reduces direct emissions from internal combustion engine (ICE) vehicles, total CO2 emissions increase more significantly under …

Czts Nanoparticles As Cost Efficient Catalysts For Producing Green Hydrogen, Aidan Hau

Undergraduate Research Symposium (2026- )

Hydrogen gas is produced to be used as feedstock, fertilizer, and fuel. Traditional hydrogen production produces “gray hydrogen” in a process that uses and releases fossil fuels into the atmosphere. One way to produce “green” hydrogen is with renewable energy technologies that produce hydrogen gas using electrolysis without emitting fossil fuels. In electrolysis, the hydrogen atoms bonded to oxygen in a water molecule are split to produce hydrogen. A typical catalyst for this process would be a precious metal like palladium, which can be costly. In order to make green hydrogen production more affordable, an alternative catalyst composed of CZTS …

Impact Of Collodion Thickness On Fission Track Generation Within Lexan Employed For Nuclear Forensic Analyses, Ryan K. Chapman, Zachary P. Meisel, Abigail A. Bickley

Faculty Publications

We report results from a computational study of fission track damage within a Lexan substrate caused by ²³⁵U suspended within a collodion film of varied thickness. MCNP6.3 was used to model energy deposition and displacements per atom within a Lexan film coated by a film of collodion, located within the air-filled 6 inch dry tube of a TRIGA reactor. The collodion layer was varied between 20 and 100 μm thickness, resulting in an 8.8% difference in energy deposition and 12% difference in displacements-per-atom within the Lexan substrate. These findings indicate that collodion adhesive thickness has a moderate impact on …

Understanding The Binding Of Nickel(Ii) Bromide To A Zirconium Metal-Organic Cage For Heterogeneous Catalysis, Luci Green

Caroliniana Undergraduate Research Journal

Heterogeneous catalysts offer inherent advantages in improving the sustainability of industrial chemical processes. Their high ease of separation and recyclability has the potential to reduce the cost, waste, and energy consumption of processes that currently rely on homogeneous catalysts. Metal–organic cages (MOCs) are an attractive material for heterogeneous catalysis due to their discrete and highly tunable structures, which can be functionalized by binding these complexes with catalytically active metals. The specific objective of this study is to provide preliminary insight into the binding of nickel(II) bromide (NiBr₂) to zirconium MOCs, which was done by studying the binding of …

Synthesis And Hydrothermal Evaluation Of Poly(Styrene Phosphonate) For Conformance Control In Geothermal Reservoirs, Sara Mccauley

Miners Solving for Tomorrow Research Conference

As atmospheric carbon dioxide levels continue to rise, geothermal energy has emerged as a promising energy alternative to fossil fuels. A barrier to widespread implementation and energy production efficiency is macro-heterogeneity of the rock matrix. Cracks, void spaces, and flow conduits divert fluid flow away from unswept portions of the geothermal reservoir and can cause cooling of the reservoir. Flow heterogeneity has been treated in oil reservoirs by injecting hydrogel particles that travel preferentially to ultra-high permeability zones and selectively block fluid flow in these regions. We are applying polymer hydrogels that withstand hydrothermal conditions of 225 up to 275°C …

The Stability Study Of Dna-Polymer Hybrids For Nanotechnology Applications, Ethan Kuehn, Milan Jebaraj

Miners Solving for Tomorrow Research Conference

DNA nanostructures have garnered increasing interest in their application as drug delivery vehicles. However, DNA is susceptible to degradation under physiological conditions. To remedy this, we have devised a novel method to coat DNA nanostructures with the polysaccharide chitosan (a natural derivative of chitin). Chitosan binds to DNA electrostatically and inhibits nuclease activity that would normally degrade DNA in a physiological environment. We used both agarose gel electrophoresis (AGE) and atomic force microscopy (AFM) to determine the stability of DNA before and after immersion in a simulated biological environment. Physiological conditions were mimicked by incubating the DNA in cell culture …

Dendrimer Nanogels With Built-In Free Radical Scavenging Enable Efficient Topical Delivery Of A Hydrophilic Antioxidant To Restore Lens Redox Balance For Cataract Treatment, Lin Qi, Huari Kou, Anna Chernatynskaya, Da Huang, Vimalin Jeyalatha Mani, Humeyra Karacal, Nuran Ercal, Hu Yang

Chemistry Faculty Research & Creative Works

Cataract is a leading cause of vision impairment worldwide and are primarily caused by oxidative stress that damages and aggregates lens proteins, leading to lens opacification. However, the eye's anatomical barriers limit the penetration and bioavailability of antioxidant therapies. To address this challenge, a dendrimer-based nanogel with a built-in reactive oxygen species (ROS)-scavenging capability developed by us was employed to deliver the antioxidant N-acetylcysteine (NAC) to the lens. NAC was loaded into a generation-5 PEGylated poly(amidoamine) dendrimer (G5-PEG-TK, termed the GPT) nanogel. The resulting NAC-GPT was characterized for its ROS-scavenging activity, bioavailability, and corneal permeability. The efficacy of NAC-GPT was …

Competitive Reaction Pathways In The Fully Green Synthesis And Surface Modification Of Silver Nanowires Under L-Ascorbic Acid-Limited Conditions, Finley Neal

Honors Theses

Silver nanowires (AgNWs) are critical building blocks for transparent conductive films (TCFs) in flexible electronics, yet their commercial viability is hindered by environmentally hazardous, energy-intensive synthesis methods and limited intrinsic chemical stability. This study investigated a fully green, room-temperature (25℃) batch synthesis of pristine AgNWs using tannic acid as a biodegradable dual reducing and capping agent under strict kinetic pH control (pH 1.25). To enhance oxidative resistance, a subsequent surface modification protocol was evaluated to deposit a protective palladium (Pd) shell using L-ascorbic acid (LAA) as a secondary reducing agent. The pristine green synthesis yielded one-dimensional Ag nanostructures with a …

Biocrude From Organic Waste And Its Conversion To Hard Carbon: Experimental And Modeling Study, Isamu Umeda

Civil & Environmental Engineering Theses & Dissertations

This study establishes a technical and theoretical foundation for the efficient conversion of organic waste into biocrude and high-value carbon materials, aiming to facilitate the industrialization of hydrothermal and solvothermal liquefaction. The dissertation research is structured as follows:

Chapter 2 developed a novel chemical kinetic model for the HTL of corn stover based on elemental balances (C, H, N, and O). By incorporating temperature, residence time, solid loading as an independent variable, the model successfully predicted product yields and properties, revealing that there was non-pseudo-first-order reaction pathways in the conversion of water soluble organics in aqueous phase (AP) to hydrochar. …

Observations Of An Oscillatory Mechanochemical Reaction Between Tetrathiafulvalene And Chloranilic Acid, Alastair Deans

Physics Theses & Dissertations

Mechanochemistry is the study of chemical reactions driven by the input of mechanical en ergy in addition to thermal activation. Mechanochemical reactions from powders are carried out by manual grinding or milling using various types of ball mills, or in twin extruders. While mechanochemistry has great potential affording economically and environmentally advantageous “green” synthetic methods, a drawback is that its chemical mechanisms are not well understood. One example of such a reaction currently under study involves tetrathiafulvalene, an organic elec tron donor with two polymorphs (orange and brown), and chloranilic acid, an electron acceptor. Previous results show that neat grinding …

Axial Sulfur-Coordination Engineering Boosting Fe–N–C Catalysts For High-Performance Proton Exchange Membrane Fuel Cells, Lin Lin, Xiu-Xuan Hou, Zhe-Chen Fan, Yi-Xuan Yin, Wei-Yi Zhao, Kai Wei, Yu-Die Zhou, Li-Na Hou, Ying Wang, Hao Wan, Jun-Jie Ge

Journal of Electrochemistry

Fe-N-C catalysts have long suffered from kinetically sluggish oxygen reduction reaction (ORR) due to excessive adsorption strength toward oxygen intermediates and low site utilization. Heteroatom doping effectively accelerates ORR reaction kinetics through electronic structure modulation of metal sites for optimal intermediate adsorption, while chemical vapor deposition (CVD) enhances the turnover frequency (TOF) of active sites. Herein, we developed an FeSNC catalyst featuring abundant FeS₁N₄ sites via a dual-precursor CVD strategy. Experimental and theoretical analyses revealed that S incorporation disrupts the symmetric coordination of active sites, which optimizes OH* adsorption energies from 0.212 eV to 1.194 eV. Moreover, …

Deciphering The Role Of Binder Reaction Exothermicity In Thermal Runaway Of Lithium-Ion Cells, Wen Wen, Jing-Hong Zhou, Hao-Tian Lu, Xing-Gui Zhou

Journal of Electrochemistry

Thermal safety associated with lithium-ion cells as power sources remains a critical industry concern. A comprehensive understanding of how internal exothermic side reactions contribute to temperature rise is fundamental for accurately analyzing thermal runaway processes and predicting the thermal safety of lithium-ion cells. While various side-reactions, such as decomposition of solid electrolyte interphase layer, reaction between anode materials and electrolyte, reaction between cathode materials and electrolyte, and electrolyte decomposition, have been identified as heat generation sources in previous studies, the quantification of these reactions remains insufficiently standardized. Particularly, the impact of heat generation from binder decomposition (most commonly polyvinylidene difluoride) …