Digital Commons Network^™

Low-Dimensional Metal Halides For Light-Emitting Diodes (Leds): Photophysical Aspects And Device Engineering, Udara Madushanka Kuruppu Kuruppu Achchige Don

Theses and Dissertations

In recent years, low-dimensional metal halides have garnered significant interest due to their exceptional optical properties. This dissertation focuses on the structural, optical, and photophysical properties of both lead-based and lead-free low-dimensional metal halides and investigates their applications in light-emitting diodes. In Chapter II, the nature of Mn2+ doping in two-dimensional (2D) lead halide perovskites is discussed. 2D perovskites show strong excitonic and dielectric confinement due to their quantum well structures. Introducing optically active Mn²⁺ dopant ions into these 2D perovskites further enhances their optical properties and promotes energy transfer from the host to the Mn²⁺ dopants, resulting in dual …

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 …

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 …

Development Of Dual-Stimuli Responsive Polymer-Coated Gold Nanoparticles And Their Surface Engineering Via Polyelectrolyte Layer-By-Layer Assembly, Buddhini Chathurangi Nugaduwa Vithanage

Dissertations - ALL

The modification of nanoparticles with combinations of low critical solution temperature (LCST) polymers and polyelectrolyte (PE) layers is studied. Three n-isopropylacrylamide-co-acrylamide polymers were synthesized in which charges could be varied from neutral, to negative or positive by way of incorporating poly acrylic acid (pAAc) or poly 4-vinylpyridene (p4VP) units. Polymerization centered around a disulfide initiator, which when reduced produced two polymer chains and a convenient linkage to gold NPs (NPs). The resulting LCST-NPs conjugates possessed sharp phase changes at critical temperatures (TC), while the incorporation of pAAc or p4VP allowed for tuneable charges and pH sensitivity. Studies with 1H-NMR and …

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 …

The Influence Of Fermentation Duration And Secondary Fermentation Conditions On The Bioactive Compound Profile Of Kombucha, Jordan Vereen

Honors Theses

Kombucha is a fermented sweet tea produced using a symbiotic culture of bacteria and yeast (SCOBY) and has gained widespread popularity due to its proposed health benefits. Kombucha has been studied to understand these advantages in cardiovascular support, improved metabolism, increased antioxidant effects, enhanced antimicrobial properties, and even potentially slowing the progression of certain diseases. Despite its increasing popularity, the way in which the specific bioactive compounds responsible for these effects and the fermentation conditions that influence their production remain unclear. The present study, conducted in collaboration with Dr. Budner, focuses on quantifying bioactive compounds in kombucha to better understand …

Friedel–Crafts Addition Of 3-Alkylated Indoles To Aldehydes: 2-Hydroxyalkylation Promoted By Trimethylsilyl Trifluoromethanesulfonate, Eric Zhou, Helen Xia, C. Wade Downey

Chemistry Faculty Publications

In the presence of trimethylsilyl trifluoromethanesulfonate (TMSOTf) and 2,6-lutidine, 3-alkylated indoles undergo Friedel–Crafts silyloxyalkylation when treated with nonenolizable aldehydes. The reaction is general across a wide range of aromatic aldehydes and tolerates a variety of N-alkylated indoles. Deprotection of the silylated product occurs under standard conditions, and in certain cases the initial TMS-protected product can be isolated in high yield.

Synthesis Of A Halogenated Glyoxime For Cobalt Deposition Suppression, Liam S. Allen

Honors Theses

Dr. Qiang Huang at the University of Alabama is a chemical engineering professor and works on the electrodeposition of metals to create circuitry. During this process suppressive molecules may be added to control help the process. This project focuses on synthesizing an alpha-halogenated glyoxime to test whether the compound is a more effective suppressant in comparison to regular glyoximes. More specifically the target chemical is called bromo-dimethylglyoxime which is created in a two-stage reaction. The starting material, diacetyl monoxime, is brominated at the alpha carbon position. The product of this reaction, officially called bromodimethylglyoxalmonoxime, is then reacted with hydroxylammonium chloride …

Emaldi Ms And Oligonucleotide Analysis, Manoj Perera, Yipeng Yin, Reed Arneson, Fakhira Razzaq, Rishabh Awasthi, William Wittstock, Yinan Yuan, Shiyue Fang

Michigan Tech Publications

Enhanced matrix assisted laser desorption ionization mass spectrometry (eMALDI MS) refers to MALDI MS in which the efficacy of desorption and ionization is enhanced by heat, volatile species, or both, generated from chemical decomposition of additives in the sample of analyte under MALDI conditions. MALDI MS has been widely used for oligonucleotide (ON) analysis. However, two challenges, limited ability to analyze long ONs and low tolerance to trace salts, significantly restrict its applications. We recently proposed the ion pair thermal model for the gas phase ion formation mechanism of MALDI MS. This model predicts an exponential increase in ion yield …

Explicit Hydration Of The Beryllium Trifluoride Anion With One To Three Water Molecules: Bef3–(H2o)N=1–3, Kayleigh R. Autry, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

This work investigates the micro hydration of the beryllium trifluoride anion (BeF₃^–) with up to three water molecules (BeF₃^–(H₂O)_n where n = 1–3). Full geometry optimizations and harmonic vibrational frequencies were computed on various BeF₃^–(H₂O)_n stationary points using density functional theory methods (B3LYP-D3BJ, B3LYP, ωB97XD, and M06-2X) as well as the CCSD(T) and MP2 ab initio methods with a triple-ζ correlation-consistent basis set augmented with diffuse functions on all non-hydrogen atoms (haTZ). One BeF₃^–(H₂O)₁, five BeF₃^{– …}

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Functionalized Nanodiamonds As Binding Platforms For Single-Stranded Dna, Mallory A. Chapman

Honors Theses

Nanodiamonds (NDs) offer a promising platform for biomolecular applications due to their stability, biocompatibility, and three-dimensional structure. This study focused on developing a nanodiamond–DNA complex in which streptavidin-functionalized NDs would form a protective shell around biotinylated single-stranded DNA (ssDNA), creating a core–shell system like an “M&M” candy with DNA at the center and a protective coating on the outside. DNA has many uses in nanotechnology, including DNA origami, nanomachines, and drug delivery systems, but its degradation limits its practical use, making protective strategies essential.

ND–DNA conjugates were prepared using biotin–streptavidin interactions and analyzed using gel electrophoresis. Initial separation on agarose …

Research Instrumentation Center (Ric), Ryan Hilger, Purdue University Office Of Research

University Research Core Facility Boilerplate Descriptions

No abstract provided.

Predicting And Decoding Allosteric Binding Sites Using Protein Language Models And Structure-Based Machine Learning: An Energy Landscape-Guided Explainable Ai Framework, Kamila Riedlová, Vít Skrhák, William G. Gatlin, Max Ludwick, Lucas Turano, Marian Novotný, David Hoksza, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

Computational prediction of allosteric binding sites in protein structures remains a persistent challenge, as these regulatory pockets evade detection by both sequence-based and structure-based algorithms. Both computational and physical origins of this predictive asymmetry remain insufficiently understood. In this study, we systematically examine the determinants of binding site predictability using a dual framework that integrates a fine-tuned protein language model and the structure-based method P2Rank as complementary tools probing a diverse data set of 453 human kinases, together with a physics-based interpretability layer derived from energy landscape frustration analysis. Both predictors exhibit a sharp and reproducible dichotomy on protein kinases, …

Asymmetric Synthesis Of Borylated Amines Via Rhodium Catalyzed Hydroboration Of Allylamine Derivatives: Surprising Role Of Counterions And Accelerators, Rukshani Wickrama Arachchilage

Dissertations and Doctoral Documents, University of Nebraska-Lincoln, 2023–

The Catalytic Asymmetric Hydroboration (CAHB) reaction is a valuable method for synthesizing chiral organoboron compounds. Nevertheless, key mechanistic details, including catalyst activation, ligand effects, and rate-determining steps, are difficult to generalize and remain not fully understood. Building on previous research from the Takacs group, this work explores acyclic N-acyl allylamines as substrates in rhodium-catalyzed hydroboration and investigates the formation of active catalysts from various rhodium precursors, the role of counterions (e.g. BF₄, BArF-), ligand-to-metal ratios, and the impact of external fluoride additives (e.g. TBAT). Hydroboration of acyclic N-acyl allylamines achieves up to 90% yield and 99 : 1 …

Herbularyo (Folk Healer): An Herbal Medicine Card Game, Maryjane T. Magsino, Inah Marie Q. Rivera, Armando M. Guidote, Genejane M. Adarlo

Chemistry Faculty Publications

Herbularyo, a card game teaching about herbal plants (HPs), was created and evaluated as a viable educational card game based on Tuomisto and Aksela’s criteria. A quasi-experiment was performed on 81 Grade 8 students from a private high school and 50 Grade 11 from a public high school. Independent t-test revealed that the control group (CG) and experimental group (EG) (p=0.386), and EG1 (played ≤5) and EG2 (played >5) (p=0.681) are not comparable with each other. Paired t-test showed EG performed better (p=0.001) than CG (p=0.901) whereas ANCOVA showed that playing Herbularyo improved students’ information retention (p=0.006). EG1 and EG2 …

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 …

Chemometric Analysis Of Dissolved Organic Matter Using Fluorescence, Dani Fellner, Ken Overway

Honors Projects

Univariate spectroscopic techniques have been utilized to measure dissolved organic matter (DOM), but challenges arise in the separation and characterization due to similarities in chemical structures and spectral overlap. Multivariate techniques utilize a combination of known analytes with their unique excitation and emission spectra from fluorescence measurements to quantify amount of each analyte present in the mixture using parallel factor analysis. Tryptophan, tyrosine, and phenylalanine are common amino acids found in environmental samples and can be quantified due to their intrinsic fluorescence qualities. These amino acids can be utilized to estimate the amount of DOM in a sample since proteins …

Limit Of Detection Variations In Polyphenol Mixtures Using Parafac-Feem Spectroscopy, Ken Overway, Brockton Zorn

Honors Projects

Polyphenols are chemical compounds commonly found in food products like olive oil and red wine. Research suggests that their presence in such foods conveys positive cardiovascular and cognitive health benefits. This group of compounds is often difficult to quantify in such samples due to an overlap in the chemical signals and the presence of interferences, such as coloring, found naturally in the food. Use of 3D Fluorescence Excitation Emission Matrix (EEM) measurements combined with pH sensitivity could establish a method in which polyphenols are identified more easily in mixtures. Binary and ternary mixtures of polyphenols were analyzed without the additional …

Applications Of Cyrene For Pharmaceutical Synthesis, Anjali Mae Rabindran

Undergraduate Honors Thesis Collection

Cyrene is a cellulose-derived molecule that has gained interest in green chemistry as both a solvent and precursor for pharmaceutical intermediates. In this study, biocatalytic and chemical strategies were evaluated for converting Cyrene into these intermediates. Cyrene was carried through variations of a five-step sequence: reduction, reductive amination, esterification, tosylate salt formation, and Lewis-acid mediated acetal opening to generate ring-opened pyranose products (“deoxy sugars” and “deoxy amino sugars”). We successfully synthesized deoxy sugar intermediates; however, the production of stereochemically pure deoxy amino sugar intermediates was limited by unresolved diastereomeric mixtures. These findings highlight the promise of Cyrene as a renewable …

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 …

Cyanine Dyes As Next-Generation Fluorophores: Applications In Cell Sorting And Fingerprinting Technologies, Super-Multiplexed Spectroscopy, Biomedical Imaging, And Beyond, Lucas Allen Davis

Undergraduate Honors Thesis Collection

As biochemical, pharmaceutical, and medical sciences advance, the demand for technologies capable of probing multiple cellular targets simultaneously continues to increase. Super-multiplexed spectroscopic techniques offer a pathway toward comprehensive cellular fingerprinting by overcoming the spectral limitations of conventional fluorescence labeling. By circumventing the traditional “color barrier,” cyanine-based Raman tags enable the simultaneous discrimination of numerous cellular morphologies, allowing spectroscopy and imaging to be integrated for high-dimensional cellular analysis. Technologies developed in Goda Lab—including high-throughput flow cytometry, virtual freezing fluorescence imaging (VIFFI), Fourier-transform coherent anti-Stokes Raman spectroscopy (FT-CARS), and MERdot nanoparticles—address longstanding trade-offs between throughput, resolution, sensitivity, and multiplexing capacity. Central …

Shark Immunology And Its Biomedical Potential: Evolution, Innovation, And The Imperative Of Conservation, Reesha Bhagat

Undergraduate Honors Thesis Collection

This review aims to shed light on a significant ecological deficit and its implications for the future of science and medicine. Sharks possess a uniquely adaptive, cancer-resistant, and evolutionarily refined immune system with transformative biomedical potential, making their conservation a scientific and medical imperative. We are losing something medically irreplaceable, and we don’t even fully understand it yet. Shark conservation is a pressing scientific imperative because sharks are ecologically essential and represent an irreplaceable biomedical resource.

Computational And Molecular Modeling Of Asphaltene Aggregation And The Effect Of Radicals And Nonradicals, Lyla Salyani

Theses, Dissertations and Culminating Projects

Asphaltenes are the heaviest component of crude oil consisting of a wide range of polyaromatic compounds with molar mass in the range of 500-800 g/mol. Asphaltenes tend to aggregate and form nanoclusters which lead to clogged pipelines. Understanding asphaltene aggregation has been a long-standing effort of industry and academia. Such systems are a typical example of systems studied to understand the impact of non-covalent interactions that drive the aggregation. Interactions that can be found to contribute to the stability of these aggregates can be π-π stacking, dispersion forces, and pancake stacking. A small fraction, 3%-4%, of the asphaltenes exist as …

Separating And Identifying Delta-8-Thc And Delta-9-Thc On Gc/Ms, Ann Schmidt

Honors Projects

Delta-8-THC and delta-9-THC are two psychoactive compounds found in marijuana products which are only distinguishable from each other by alternating the location of a single double bond.  This makes them a challenge to separate and identify as different compounds using the GC/MS.  These isomers are legally recognized as the different compounds, so being able to identify delta-8 and delta-9 THC separately is crucial to forensic analysis. The goal of this research project is to optimize an Intuvo 9000 GC connected to a standard MS to be able to separately and prominently identify delta-8-THC and delta-9-THC in a sample.  This was …

Taking A Deeper Look: Attributing Tonal Values Of Photolumens To Their Emulsions Using Scanning Electron Microscopy, Anna M. Moore

All Theses

This thesis examines whether tonal variation in photolumens made with historic silver gelatin photographic papers can be linked to differences in elemental composition. Photolumens are cameraless photographic images created by placing objects directly on light-sensitive paper and exposing them to ultraviolet light. Because expired and historic darkroom papers often produce unpredictable colors and tones, this study asks whether visually defined tonal groups also show measurable chemical differences.

Twenty historic paper samples were exposed, documented, and sorted into five tonal groups based on visible image characteristics. Each sample was then analyzed using scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) …

Energetic Eutectics: An Experimental And Computational Investigation On Explosive Deep Eutectic Solvents, Connor J. Parker

All Theses

This study reports on the incorporation an extreme gradient boosting (XGBoost) machine learning strategy tailored to identifying potential high-energy, insensitive explosive deep eutectic solvents. 1,1-diamino-2,2-dinitroethylene (FOX-7) was investigated as the explosive of interest in our eutectic modeling. The resulting predictions highlighted a wide range of binary compositions demonstrating significant depression from the FOX-7 melting temperature with >70% probabilities of formation. Subsequent computational investigation into select mixtures provided underlying stabilization energies and optimized mixture geometries, which were then assessed experimentally with near simulant compounds oxalyldihydrazide and 1-methyl-3- nitroguanidine replacing FOX-7.

Experimental results with these chosen simulants did not demonstrate classical eutectic …

Deciphering Chemomechanical Couplings In Proteins Using Molecular Dynamics And Enhanced Sampling Techniques, Matthew Brownd

Graduate Theses and Dissertations

Proteins function through a complex interplay between chemical interactions and mechanical motions across multiple spatial and temporal scales. Understanding how ligand binding, conformational dynamics, and structural flexibility collectively regulate protein function remains one of the central challenges in molecular biophysics. This dissertation presents a computational investigation into chemomechanical coupling in three distinct classes of biomolecular systems using all-atom molecular dynamics (MD) simulations and enhanced sampling methods, with particular emphasis on free-energy calculations and long-timescale conformational analysis. The first part of this work focuses on ligand binding in hyperpolarization-activated cyclic nucleotide-gated (HCN) channels, which regulate rhythmic electrical activity in the heart …

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.

Urea-Based Boronium Salts As Antimicrobial Agents, Gabriel Allen Merchant

Honors Theses

Quaternary ammonium compounds (QACs) are widely used in disinfectants due to their ability to inhibit the growth of and eliminate microbes. The potency, broad-spectrum activity, and low cost of QACs have made them a cornerstone of modem hygiene. In recent years, QACs have garnered many health and safety concerns due to their overuse and subsequent accumulation in the environment. The increased use of QACs has further led to an increase in antimicrobial-resistant bacteria, making the synthesis of novel antibacterial compounds vital to combat this growing threat. Recent advances in boronium salts offer a unique alternative to address these adverse effects. …