Inorganic Chemistry Commons^™

Computational Studies Of Triplet State Formation In Zinc Dipyrrin Complexes, Reuben Kwabla Adigbli

Electronic Theses and Dissertations

Zinc dipyrromethene complexes are promising earth-abundant photosensitizers due to their strong visible-light absorption and tunable excited states. To rationally design them for photocatalysis and photodynamic therapy, a molecular-level understanding of triplet-state formation is needed, but details of intersystem crossing remain unclear. To study the effect of π-extension, we synthesized an indole-substituted zinc dipyrrin complex: the dipyrromethane ligand was prepared from indole and mesitaldehyde, oxidized to the dipyrromethene, then coordinated with zinc. DFT and TD-DFT calculations determined ground and excited-state geometries and energies in different solvents, modeled absorption spectra, and visualized charge distributions. The results show how solvent polarity shifts energies …

Antioxidant Potential Of A Non-Heme Iron Complex: Mitigating H2O2-Induced Cellular Damage, Magy A. Mekhail, David M. Freire, Cameron Bowers, Grant Elam, Nora Del Bosque, Hannah K. Pyle, Sarah K. Dunn, Spencer Lanyon, Timothy J. Hubin, Giridhar Akkaraju, Kayla N. Green

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Iron complexes with antioxidant activity have garnered significant interest for both general and medical applications, yet few studies have yielded functional nonheme iron-based mimics for H₂O₂ mitigation in aqueous environments. Here, we investigate water-soluble nonheme iron complexes derived from 12-membered pyridinophanes (^CF₃PyN₃, PyN₃, ^NMe₂PyN₃, and Py₂N₂) to evaluate the impact of ligand scaffolds on H₂O₂ decomposition activity both in vitro and in a cellular model. Speciation and kinetic analyses reveal that both electronic and geometric modulation of the macrocyclic …

Tuning Ion Mobility And Molecular Confinement In High-Performance Polymer Electrolytes For Energy Storage, Ezzeldien Yousef Muhammed Yousef

Theses and Dissertations

This research addresses the critical energy density limitations of aqueous supercapacitors, which are traditionally constrained by the narrow electrochemical stability window (ESW) of water 1.23 V. By employing two distinct molecular engineering strategies, this study developed high-performance electrolyte systems that significantly extend voltage stability and thermal resilience.

The first system, CsBr@PAM/HA, utilizes a polyacrylamide and hyaluronic acid hydrogel matrix. This system exploits the chaotropic nature of Cs⁺ ions to disrupt the aqueous hydrogen-bonding network, enhancing ionic conductivity to 104 mS cm^-1. Through systematic salt screening, CsBr was identified as the optimal electrolyte, enabling a stable 2.0 V …

Thermally Induced Color Changes In Iron Oxide Containing Coatings, Tabatha Whitfield

Master's Theses

Wildland-urban interface (WUI) fires and residential conflagrations present significant challenges for post-fire damage and fire propagation analysis. CAL FIRE observed reddening in architectural coatings during the 2025 Pacific Palisades fire with no determination of the cause. While heat-induced color change of infrastructure coatings has been studied, its potential use as a thermal exposure indicator in residential fire events remains largely unexplored. The objective of this study was to characterize the heat-induced color change of yellow iron oxide containing coatings subjected to thermal exposures, replicating residential fire conditions. The coatings were applied to commonly used building materials and exposed to direct …

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

Honors Scholar Theses

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

Virtualizing Practical Science Education: A Sociological Analysis Of Undergraduate Teaching And Learning, Sina J. Fakoyede, Femi E. Babalola, Oluwatoyin T. Obateru, Oluwayemisi D. Akomolafe, Deborah O. Alabi, Stella K. Ekundayo

Higher Learning Research Communications

Objectives: The study aims to investigate the perspectives of university teachers and students on integrating practical science teaching with virtual learning in a multicultural and diverse society, specifically within the context of southwestern Nigeria.

Methods: A mixed-methods approach was employed, involving data collection from 100 university lecturers and 400 undergraduate students across 10 universities. Qualitative data were gathered through semi-structured interviews with lecturers and focus group discussions with students. Quantitative data were obtained via structured questionnaires, allowing for triangulation and comprehensive analysis.

Results: Findings revealed that certain lecturers showed preferential support influenced by students’ cultural backgrounds or academic behavior during …

Increasing Photocatalytic Activity Of Tio₂ Nanocrystals With Cobalt Dopants And Nio Heterojunctions, Lara A. Haack

Honors Thesis

Carbon emissions and fossil fuel usage has increased dramatically in recent decades, and the need for renewable energy has grown with it. Photocatalytic processes on titanium dioxide (TiO₂) nanocrystals may be used for solar energy driven production of fuel/oxidizer pairs. Many different methods have been developed to increase the effectiveness of TiO₂ in photocatalysis, including dye sensitization, quantum dot sensitization, doping with metals and non-metals, and the surface attachment of cocatalyst materials. Impurity dopants are not susceptible to photo-bleaching or degradation and judicious selection of cocatalyst materials can lead to robust all-inorganic heteronanocrystal photocatalysts: whereas, the use of molecular dye …

Tissue-Specific Heavy Metal Accumulation And Sediment–Mangrove Dynamics In Port Everglades, Florida, Dimitrios Giarikos, Amy Hirons, Jason Gershman, Sophie Welch

SECLER Data

Coastal wetlands near industrialized waterways face increasing heavy metal contamination, yet the role of mangroves as biogeochemical buffers remains poorly understood. This study quantified 16 heavy metals in sediments and red mangrove (Rhizophora mangle) tissues (roots, branches, and leaves) across four sites near Port Everglades, Florida, examining tissue-specific partitioning, contamination patterns, and sediment-to-plant transfer. The South Turning Basin (STB) was the principal contamination hotspot, with geometric mean (GM) concentrations of arsenic (As; 27.8 µg/g) and zinc (Zn; 203 µg/g) exceeding threshold effect levels, while Cu exceeded its probable effect level (PEL; 193 µg/g). Mercury (Hg) exceeded its PEL …

Tunable Physical Color In Nanostructured Materials: Exploring Reversible Mechanisms For Active Optical Control, Matt Hughes

Chemistry & Biochemistry Undergraduate Honors Theses

Vanadium Dioxide (VO₂) thin films have been grown on silicon wafers using atomic layer deposition of TDMAV (tetrakis(dimethylamino)vanadium(IV)) and H₂O as precursors. A quartz crystal microbalance (QCM) measurement was used during deposition to confirm growth and resulted in a growth rate of approximately 0.6 Angstroms/cycle. X-Ray Reflectivity (XRR) was performed to confirm growth thickness and reported an approximately 30 nm thin film after 500 cycles of TDMAV precursor deposition. X-Ray photoelectron spectroscopy was utilized to determine the phase of the vanadium samples and confirmed the presence of vanadium dioxide as prepared and after annealing under nitrogen …

Hollow Nickel-Iron Nanoshells As Electrocatalysts For The Oxygen Evolution Reaction, Jonathan Batey

Chemistry & Biochemistry Undergraduate Honors Theses

The development of highly active and affordable catalysts for the oxygen evolution reaction is crucial to achieve a future where hydrogen is generated cleanly using renewable methods. Ni-Fe nanocatalysts show great promise in this area, as they are affordable and highly active. However, to overcome the industrial dominance of steam methane reforming, their activity needs improvement. This work aims to increase the activity of Ni-Fe nanocatalysts by making hollow nanostructures. Hollow Ni-Fe nanostructures were synthesized by coating a Cu template with Ni and Fe, followed by the etching of the Cu template. This left hollow Ni-Fe nanoshells, which were used …

Comparative Development Of Mof‑Based And Mof‑Free Agnp Functionalized Zno Nanorod–Cotton Fabric Composites For Photocatalytic Applications, Md Al Mamun

Master's Theses

Photocatalysis offers a cost‑effective and environmentally friendly strategy for degrading organic pollutants and addressing energy and environmental challenges. This study initially explored MOF‑based cotton‑fabric‑supported ZnO nanorod composites but found that the MOF component primarily acted as an adsorbent rather than an effective photocatalyst. Consequently, MOF‑free composites were developed by directly growing ZnO nanorods on cotton fabric and functionalizing them with silver nanoparticles. Photocatalytic testing revealed that AgNP‑modified ZnO nanorods, particularly at 10 mM AgNP, exhibited superior dye degradation efficiency, thereby demonstrating a scalable and effective photocatalytic platform.

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 …

Targeting Chemical Pollutants Through Assimilation Of Hydrophobic Deep Eutectic Solvents With Metal-Organic Frameworks, Carbon Nanotubes, And Activated Carbon, Tanner William Baughman

ONU Student Research Colloquium

Water contamination by heavy metals has a harmful human threat to the environment and to human health. This is derived from their bioaccumulation and toxicity characteristics. The study directly looks at the assimilated of lignin-derived hydrophobic deep eutectic solvents (HDES) with 3 different class of materials: Metal-Organic Frameworks (MOFs), Carbon Nanotubes (CNTs), and Activated Carbon (AC). Four different HDES mixtures were assimilated into these porous materials through impregnation. Composites were evaluated by characteristic peaks through Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR). The morphology of the samples was assessed as well through scanning electron microscopy (SEM). The colloidal stability …

Simulation And Projection Of Glaciers And Their Runoff In Xinjiang Based On Tgsgs, Zhongqin Li, Yefei Yang, Bowen Liu, Huilin Li, Zexin Zhan, Feiteng Wang, Chunhai Xu, Weibo Zhao

Bulletin of Chinese Academy of Sciences (Chinese Version)

Glaciers are large flowing ice bodies formed from snowfall in cold regions. Due to the intrinsic physical properties of ice and the complexity of boundary conditions, physically based modelling of glacier change remains a global challenge. With support from the Chinese Academy of Sciences’ key science infrastructure program for the field station, the Tianshan Glaciological Station completed the Tianshan Glacier Station Glacier Simulator (TGSGS) in 2025. TGSGS features advanced representations of the physical mechanisms driving glacier change and multi-scale ensemble strategy, and is integrated with a reference glacier observation network based on terrestrial laser scanning (TLS), a low-temperature laboratory for …

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 …

Co-Ordination Driven Heteroleptic Self-Assembly Of Naphthalene Diimide And Aromatic Dicarboxylate, Rosanna Jees, Kennedy Kuchta, Joshua Do, Erendra Manandhar

Posters - 2026

Co-ordination driven self-assembly is a powerful tool to construct supramolecular co-ordination complexes (SCCs) with predictable and well-defined molecular structures. Fujita, Stang, Newkome, & others have developed novel methodology to synthesize 2D & 3D Metallo-supramolecular structures, such as triangles, cubes, and octahedrons. These have potential applications for optical materials, sensing, catalysis, light harvesting & emissions due to the structures’ well-defined cavity and easy functionalization at the periphery position of ligands.1–4 SCCs with various functional groups, fluorophores, and chromophores, like crown ethers, carbazoles, fullerenes, and dendrimers, have been reported through self-assembly, yet naphthalene-diimide (NDI)-based macrocycles and cages are limited. This project focuses …

Synthesis And Characterization Of Metal Complexes Of Oxindole-Based Β-Lactams, Kenya Rosas, Erick Morales Orrante, Carlos Sifuentes, Alexsei Nazarov

Posters - 2026

• β-lactams are essential structural components of many antibiotics and widely studied due to their biological importance and synthetic versatility.
• The Ugi reaction is a multicomponent reaction, involving a primary amine, carboxylic acid, isocyanide, and an aldehyde or a ketone, that rapidly generates α-acetamido carboxamide derivatives (Ugi adducts).
• The synthesis and characterization of four oxindole-based β-lactam derivatives:
  • 1-Benzyl-N-(tert-butyl)-2-oxo-3-(2-oxoazetidin-1-yl)indoline-3-carboxamide (4a).
  • N-(tert-butyl)-2-oxo-3-(2-oxoazetidin-1-yl)-1-phenylindol-3-carboxamide (4ab).
  • N-(tert-Butyl)-2-oxo-3-(2-oxoazetidin-1-yl)indoline-3-carboxamide (4d).
  • N-(tert-butyl)-1-methyl-2-oxo-3-(2-oxoazetidin-1-yl)indol-3-carboxamide (4e).
• The coordination of the four Ugi adducts with Cu (II) and Ni (II) at different pH points to enhance their stability and improve biological activity.

Designing Surface-Induced Entatic States In Copper Complexes For Tunable Reactivity, Rachel Kiser

Senior Theses

Copper catalysts play an important role in electrocatalytic oxidation reactions due to their redox flexibility and relative abundance compared to noble metal catalysts. In biological systems, copper metalloenzymes often achieve enhanced reactivity through an entatic state. Entasis is described as an active site or metal center being constrained to a geometric and electronic state, minimizing primary sphere reorganization energy and achieving higher rates of electron transfer.  This study investigates whether entasis can be achieved in synthetic molecular catalysts by immobilizing Cu(I) complexes onto metal oxide surfaces. Two Cu(I) complexes bearing carboxylate-functionalized ligands were examined both in homogeneous solution and when …

Remediation Of Ammonium Perrhenate Via Tris(2,2’-Bipyridine)Ruthenium(Ii) Chloride, Kaylin L. Thomas, Sandra A. Abdellah, Alvin A. Holder

Knowledge and Creativity Expo

Pertechnetate (TcO₄⁻) is a persistent radioactive byproduct resulting from the decay of uranium-235 or plutonium-239 in the nuclear fuel cycle. Its high environmental mobility, long half-life, and significant beta radiation make TcO₄⁻ a critical contaminant. Structurally tetrahedral and water-soluble, TcO₄⁻ behaves similarly to the sulfate anion, facilitating its rapid introduction into ecosystems.

It bioaccumulates in lower-level organisms, propagating radioactive and toxic effects through food chains. In mammals, technetium-99 accumulates in the thyroid and may also impact fetal development. Its small charge, chemical stability, and solubility present significant challenges for effective remediation.

Current remediation methods often suffer from poor selectivity, dependence …

Peruvian Pinniped Teeth Trace Element Data-Tracking Ecosystem Variabilites Through Trace Element Record Found In Peruvian Pinniped Dentin, Dimitrios Giarikos, Amy Hirons, Ally E. Sheehan, Radleigh Santos

SECLER Data

The South American sea lion (Otaria byronia; SASL) and the Peruvian fur seal (Arctocephalus australis; PFS) are apex predators within the Humboldt Current ecosystem, where population dynamics respond to both natural variability and anthropogenic pressures, including El Niño–Southern Oscillation (ENSO) events and coastal mining. This study quantified 18 trace elements (TEs) in canine dentin from both species collected at Punta San Juan, Peru using laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) to evaluate long-term environmental exposure. Because dentin is deposited incrementally, it preserves a chronological chemical archive reflecting ontogenetic shifts in diet and habitat use. Overall, TE concentrations were broadly similar …