Physical Sciences and Mathematics Commons^™

Oer Organic Chemistry I Lab Manual, Ji Kim

Open Educational Resources

This Organic Chemistry I Lab Manual presents ten inquiry-based modules that integrate green chemistry principles into every stage of the microscale laboratory experience. Students use Kontes microscale glassware to perform essential techniques, including distillation, recrystallization, extraction, chromatography, and nucleophilic substitution reactions. Each module features standardized learning objectives, pre-lab questions, microscale procedures, data tables, and post-lab analysis. Green Chemistry Connections explicitly links each experiment to the Twelve Principles, emphasizing waste prevention, safer solvents, renewable feedstocks, and accident reduction. From isolating caffeine from tea and lycopene from tomato paste to synthesizing cyclohexene via E1 elimination, students learn classical organic chemistry through an …

Supramolecular Assembly In Short Peptide Systems For Selective Metabolite Recognition And Drug Nanoencapsulation, Maithreyi Ramakrishnan

Dissertations, Theses, and Capstone Projects

Short peptides can form adaptive supramolecular assemblies, and understanding how minimal sequences organize around neurometabolites or hydrophobic cancer drugs enables the rational design of functional materials. This thesis combines molecular dynamics with experimental validation to establish design rules linking peptide sequence to emergent structure and function. Chapter 1 outlines the molecular determinants governing peptide assembly. Chapter 2 reviews computational workflows that reveal sequence-dependent conformations and supramolecular organization. Chapter 3 applies these principles to Dynamic Peptide Libraries which identify tetrapeptides that selectively interact with neurometabolites. Chapter 4 extends the same interaction-driven framework to design tryptophan-rich pentapeptides that co-assemble with kinase inhibitors …

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 …

Mediating Energy And Charge Transfer Dynamics Of Lead Halide Perovskite Nanocrystals Via Surface Chemical Approaches, Aaron S. Malinoski

Dissertations, Theses, and Capstone Projects

Energy and charge transfer are the fundamental mechanisms by which semiconductor nanocrystals interact with their external environment and underpin all light-conversion related applications. Lead halide perovskite nanocrystals (PNCs) are a relatively new class of semiconductor nanocrystals that possess a unique and dynamic surface chemical environment. Investigations into the influence of these surface chemical conditions on the electronic coupling between surface-bound molecular acceptors and the perovskite nanocrystals, and how the surface chemistry can be manipulated, in turn controlling the charge and energy transfer mechanisms, is the focus of this dissertation. Through ligand-shell engineering using commercially available, inexpensive small molecules, the surface …

Small Molecule Antioxidants As Potential Therapeutics For Preeclampsia, Maxim Mastyugin

Graduate Doctoral Dissertations

The major goal of this work was to develop a therapeutic intervention against preeclampsia (PE). Preeclampsia affects up to 5-7% of all pregnancies and has no causative treatments. It is associated with oxidative stress caused by a prolonged ischemic state and increase in reactive oxygen species (ROS) in the placenta. The cardinal symptoms include high blood pressure, kidney dysfunction, and in severe cases, eclampsia. With no treatment for the underlying causes available, we offer small molecule antioxidants which may scavenge ROS in the placenta arising from the initiating event of PE, the oxidative stress. By reducing placental ROS, these antioxidants …

Computer-Aided Development Of Novel Antioxidants, Rita Bernadett Vlocsko

Graduate Doctoral Dissertations

Physiological redox homeostasis is a fine balance between prooxidants and antioxidants that are integrated elements of several reduction-oxidation mechanisms at molecular, organellar, cellular and tissue levels. When this equilibrium is disrupted and prooxidants become dominant, the body relies on endogenous and exogenous antioxidants to counterbalance the dysregulation and ultimately prevent the progression of oxidative stress. Reactive species (reactive oxygen species, reactive nitrogen species, or reactive sulfur species) are significant contributors to prooxidant activity. Over the years, substantial knowledge has been accumulated regarding their origin and roles in disease development, leading to the discovery and development of antioxidants that effectively target …

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 …

Visualizing Ozone Pollution In The Denver Metro Area Using A Bioindicator Garden, Ella K. Mathews, Hillary Hamann, Julie Morris, Erica L. Larson

DU Undergraduate Research Journal Archive

Since the industrial revolution, widespread fossil fuel combustion has significantly increased atmospheric pollution. The combustion of fossil fuels releases nitrogen oxides (NOx) and volatile organic compounds (VOCs), which form tropospheric (ground-level) ozone when exposed to sunlight. Ozone directly harms plants by disrupting their ability to absorb carbon dioxide, release oxygen, and carry out photosynthesis. Bioindicator species are plants that have visible responses to environmental conditions, such as ozone, and can act as “canaries in the coal mine,” indicating the health of their environment. In this study, we used a garden of ozone bioindicator species (ozone garden) as a cost-effective tool …

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 …

Short Peptoid Capping Ligands Stabilize Dispersion Of Gold Nanospheres In Aqueous Solutions, Hanna G. Goldberg, Isabella K. Matusich, Jack M. Petersen, Nikhila Raman, Joseph C. Hong, Gabriela Edler, Daniel K. Tanaka, Jwwad M. Javed, Amelia A. Fuller

Chemistry and Biochemistry

Surface functionalization of colloidal gold nanoparticles with capping ligands is critical for controlling their dispersive stability and for introducing application-specific moieties. Peptoids (N-substituted glycine oligomers) are useful candidates for study as capping ligands owing to their straightforward preparation and their biocompatibility. In this work, we have prepared a library of five-residue peptoids and evaluated them as capping ligands for 10 nm gold nanospheres. Our findings revealed important sequence features of peptoids that stabilize nanosphere colloidal dispersions in a range of aqueous conditions that vary in ionic strength and pH. We have also characterized the sizes and surface charges of peptoid-capped …

Phytochemical Composition And Bioactivities Of Roselle (Hibiscus Sabdariffa L.) Extracts Obtained By Infusion, Ethanolic Maceration, And Maltodextrin-Assisted Drying, Risna Silvianti, Warsito Warsito, Elok Zubaidah, Zubaidah Ningsih, Aqidatul Izza

Karbala International Journal of Modern Science

Roselle (Hibiscus sabdariffa L.) is rich in phenolic compounds and anthocyanins, but the extraction method may influence its chemical composition and biological activity. This study compared hot-water infusion, ethanolic maceration, and maltodextrin-assisted drying. It aimed to examine the relationship between the extraction method, chemical profile, and bioactivity. The resulting extracts (EI, EM, and EP) were analyzed for total phenolic, flavonoid, and anthocyanin, LC-HRMS profiles, and antioxidant capacity by the FRAP assay. Antibacterial analysis was conducted against Escherichia coli (ATCC 25922) and Staphylococcus aureus (ATCC 25923) using agar well diffusion. Cytotoxicity tests (MTT, 24 h) were performed against HT-29, 4T1, …

Lowland Tropical Forests Remain A Methane Sink Under Warming And Long-Term Hurricane Disturbance Recovery, Gabriele Larocca Conte, Lucia Zuvela, Rachel Cruz-Pérez, Tatiana Barreto-Vélez, Nibia Becerra-Santillan, Sophia F. Campbell, Hieu P. Chu, Trung Dam, Iana F. Grullón-Penkova, Miriam Kleit, Deyaneira A. Ortiz-Iglesias, Laura C. Rubio-Lebrón, Molly A. Cavaleri, Sasha C. Reed, Debjani Sihi, Tana E. Wood, Christine S. O'Connell

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Methane (CH₄) is a potent greenhouse gas, and tropical forests account for roughly one–third of global atmospheric CH₄ uptake by soils. Projected warming and more frequent hurricanes in these ecosystems may alter soil CH₄ sink strength, as warmer and wetter soils enhance methanogenesis activity. We measured soil CH₄ and CO₂ efflux during the calendar summer months of 2023 and 2024 alongside continuous records of soil moisture, soil and air temperature, and precipitation in an in–situ warming experiment (TRACE) located in a lowland tropical forest in Puerto Rico, six to seven years after Hurricanes Irma …

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 …

Computational-Experimental Synergy As A Predictive And Interpretive Tool Through Metal-Organic Framework Investigations, Cristian Sayers

Graduate Student Theses and Dissertations

In the search for tunable materials platforms capable of addressing both clean energy conversion and viable post-combustion carbon capture, metal-organic frameworks (MOFs) have emerged as a uniquely versatile class of porous solids offering high specific surface area, structural tunability, and chemically addressable metal nodes and organic linkers. Realizing their potential requires understanding behavior that spans atomic-scale electronic structure and bulk-scale property response, a regime in which neither computation nor experiment alone is sufficient. This work attempts to develop a tighter integration between density functional theory (DFT) and laboratory investigation, treating the two modalities as mutually informing probes of the same …

Beyond Stabilization: Biological Healing, Structural Exclusion, And The Recovery Gap After Border-Fall Trauma At The U.S.-Mexico Border, Julia Robinson

Undergraduate Honors Theses

This honors thesis examines the biochemical, ethical, and public health consequences of insufficient post-operative follow-up care for undocumented immigrants injured in border falls. Discussing pathways of inflammation resolution, wound healing, and bone remodeling, this thesis argues that recovery depends on tightly regulated molecular and cellular processes that are highly vulnerable to disruption without continued monitoring and rehabilitation (Loi et al., 2016; Maruyama et al., 2020). When follow-up care is absent, these processes can be predicted to derail, leading to infection, impaired healing, and permanent disability (Chung & Sohn, 2025; Howard et al., 2020; Kruidenier et al., 2018). Framed through principles …

Arylation Of Nitrogen, Oxygen And Carbon Nucleophiles By Aryl(Tmp)Iodonium Salts, Joseph Jordan Hatton

Dissertations and Theses

Substituted aromatic rings are present in industry in a plethora of organic molecules such as pharmaceuticals, agrochemicals, materials and beyond. Therefore, methods for broadly installing aryl rings into other compounds to create substituted aromatic rings are valuable to many organic chemists. Historically these transformations are achieved through methods such as nucleophilic aromatic substitution and metal catalyzed cross-coupling. Nucleophilic aromatic substitution is a user-friendly method in this space but is limited by reliance on specific electronics. Metal catalyzed cross-coupling reduced the dependence on electronics in this space, but metals are generally unattractive reagents due to high costs, toxicity and challenges with …

Isolation Of Essential Oils From Oregano Leaves Via Steam Distillation And Extraction, Alyssa Brasko, Madison Fauntleroy, Sophia Bordone

Discovery Day - Daytona Beach

Organum vulgare, also known as Oregano, is a fragrant herb in the mint family widely used in culinary and medical applications. The essential oil of oregano contains various compounds, with carvacrol and thymol being the primary constituents responsible for the herb’s distinctive aroma and antimicrobial properties. Carvacrol, a chemical compound found in oregano oils, has a molecular formula of C₁₀H₁₄O, with carvacrol presenting a phenolic structure that contributes to its biological activity. Additionally, the compound has three double bonds giving the compound four units of unsaturation. Due to its properties, oregano oil has historically been used …

Enhanced No₂ Gas Sensing Using Silver-Doped Cadmium Telluride Nanocrystalline Thin Films, Tunis Balasim Hassan

Karbala International Journal of Modern Science

Nitrogen dioxide (NO₂) is a toxic pollutant that necessitates sensitive and reliable monitoring systems. Conventional gas sensors often lack adequate responsiveness and fast recovery under changing conditions and therefore create a need for semiconductors with enhanced performance, especially at high industrial temperatures (around 250 °C). The study therefore aims to synthesis and evaluate silver-doped cadmium telluride (Ag:CdTe) thin films as NO₂ gas sensors. Pure CdTe and Ag:CdTe with silver concentrations of 5, 10, and 15 wt% were prepared by a co-precipitation process. XRD verified cubic symmetry with a progressive fall in crystallite size (6.67 nm to 5.46 nm at 15 …

Microtubules In Breast Cancer: Exploring The Α/Β-Tubulin Toggle Switch And Its Implications In Human Breast Cancer, Annemarie Ianos

Student Theses and Dissertations

Microtubules, composed of a/b-tubulin heterodimers, play a central role in breast cancer tumor growth by polymerizing, leading to metastasis and depolymerizing, contributing to proliferation. Human enzymes protein kinase Ca (PKC-a) and cyclin-dependent kinase 1 (Cdk-1) mediate phosphorylation at sites a:Ser165 and b:Ser172, respectively, influencing the growth of microtubules. It is possible that alternating phosphorylation at these sites contribute to an a/b-tubulin “toggle switch” that mediates microtubule instability and tumor growth.

The project investigates the influence of the toggle switch model on microtubule stability by determining the impact of mutants (a:S165D, a:S165N, a:S165S_P, b:S172S_P and a:S165S_P/b:S172S …

Ab Initio Method Development For Electronic Structure Response And Symmetry Quantification, Duc Anh Lai

Chemistry Theses and Dissertations

Electronic structure provides a fundamental framework for understanding molecular properties and reactivity, as it encodes the spatial distribution of electrons and their response to external and internal perturbations. This dissertation develops theoretical and computational frameworks to characterize and manipulate electronic structure through two complementary directions: the response to oriented external electric fields and the quantification of symmetry regulation in electron density.

First, a rigorous theoretical and computational framework is established for treating electric fields with arbitrary orientations relative to molecular structure. The concept of the rotational potential energy surface is introduced to characterize the dependence of molecular energy on field …

Nanoscale Structure And Spontaneous Self-Assembly Of Hydrothermal Organic Products, Glorianne P. Dorce

Chemistry and Chemical Biology ETDs

Carbon nanomaterials derived from citric acid and urea exhibit behaviors that challenge conventional structure–property models based on static bulk descriptions. This study examines how precursor pairing and reaction duration, post‑synthetic thermal history, and time‑dependent aging govern nanoscale organization and optical response. Through controlled synthesis and processing, distinct nanostructures with tunable structural and spectroscopic profiles are generated.

A multiscale framework integrating nano‑FTIR, atomic force microscopy, and thermal analysis reveals chemical heterogeneity and continuous structural reorganization across length scales. By correlating local chemical environments with optical behavior, we show that fluorescence efficiency and photostability depend on specific nanoscale architectures rather than average …

Computational Design Of Peptides And Proteins Through Machine Learning Approaches, Emily J. Hendrix

Chemistry and Chemical Biology ETDs

Advancements in machine learning have emerged as a pivotal tool in computational biochemistry, offering new advancements to address challenges in protein structure and function. However, current machine-learning approaches offer limited insight in understanding protein dynamics. The purpose of this work is to combine traditional physics-based computational tools, such as molecular dynamics and coarse-grained simulations, with recently developed AI-driven computational tools to bridge gaps and advance the understanding of proteins in both structural and dynamic aspects. I investigated several approaches such as (i) traditional physics-based methods to study protein conformation and ensembles; (ii) identifying a peptide inhibitor for the PICK1 PDZ …

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 …

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 …

Semi-Rational Strategies For Antifungal Peptide Design, Akilah I. Mateen

Seton Hall University Dissertations and Theses (ETDs)

A recently emerged opportunistic fungi, Candida auris, has been subject to increased scrutiny due to its virulence and rapid geographical spread. Due to the indiscriminate use of antimicrobials as treatments for infectious diseases and as pesticides, the ubiquitous threat of multidrug resistance (MDR) looms large. The lack of progress in antifungal development is of high concern in the treatment of infectious diseases and a rise in fungal resistance highlight the need for updated treatment strategies. This work describes three strategies used to address these concerns:

•  The synthesis of a photosensitizer-membrane-active peptide (PS-MAP) conjugate, Ir-HKII15, that combines the ability of …

Cold Plasma Treatment Of Hydroponically Grown Basil: Effects On Essential Oil Composition For Sustainable Applications (Ocimum Basilicum), Judith Serwaa Marfo

Seton Hall University Dissertations and Theses (ETDs)

Abstract Essential oils are known to have medicinal benefits and pharmaceutical applications. This study investigates the impact of cold plasma treatment on hydroponically cultivated basil (Ocimum basilicum), focusing on physical growth traits, and essential oil composition. Preliminary trials validated our solvent extraction protocol using IPA, hexanes, and methanol without heat on store-bought basil. Rotary evaporation and GC-FID analysis successfully identified key compounds; eugenol, estragole, eucalyptol, and linalool. Plasma-treated hydroponic plants exhibited enhanced physical characteristics, including larger leaves and intensified green pigmentation, compared to untreated controls under identical conditions. The plasma treatment didn't just increase how much oil was extracted, but …

At The Crossroads Of Traditional And Nuclear Forensics: Decontaminating Radiologically Contaminated Dna Evidence Using Magnetic Beads, Rin Nyx Ruby

UNLV Theses, Dissertations, Professional Papers, and Capstones

Known for its impressive discriminatory power, deoxyribonucleic acid (DNA) fingerprinting stands as the “gold standard” of forensic investigation. However, complications arise when such evidence is contaminated with radioactive material. Though biological samples exposed to ionizing radiation can still yield comprehensive DNA profiles, most forensic laboratories lack the facilities which meet the safety and security requirements necessary for handling radioactive material. While nuclear facilities can decontaminate samples prior to forensic analysis, conventional methods for radiological decontamination – such as mechanical cleaning and chemical washes – may degrade the quality of the forensic evidence. The purpose of this study is to evaluate …

Methylation-Dependent Regulatory Pathway That Governs The Stability Of The Sox Family Proteins And Related Developmental Regulators, Keshari Gayathri Rajawasam

UNLV Theses, Dissertations, Professional Papers, and Capstones

The SRY (Sex-determining Region Y) protein is a transcription factor encoded on the Y chromosome and is the key regulator responsible for initiating male sex determination in mammals. During early embryonic development, SRY activates the genetic program that leads to testis formation by promoting the expression of downstream genes involved in male gonadal differentiation. Mutations or dysregulation of SRY can lead to disorders of sex development such as male-to-female sex conversion and hermaphroditism, highlighting its critical role in sex determination.

SRY belongs to the SOX (SRY-related HMG-box) family of transcription factors, which includes the proteins SOX1, SOX2 and SOX3. These …