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Synthesis Of Organosilicon Substituted Fₓpczn For The Preparation Of Silica-Based Photo-Catalysts, Reagan E. Daly

Seton Hall University Dissertations and Theses (ETDs)

This study began with the synthesis, purification, and catalytic application of hexadeca fluoro phthalocyanine zinc (F₁₆PcZn) derivatives functionalized with organosilane consuming thiol groups. The F₁₆PcZn was synthesized by reacting tetrafluorophthalonitrile (TFPN) with zinc acetate (Zn(OAc)₂) in 1-chloronaphthalene as a solvent, under a controlled heating process at 185°C for 90 minutes. The resulting blue solid was purified via vacuum filtration and recrystallization techniques to remove residual solvents and by-products, yielding pure F₁₆PcZn. The purity of the product was assessed through UV-Vis spectroscopy, MALDI analysis, and a molar extinction coefficient was determined.

Subsequent nucleophilic substitution of the fluorine atoms on F₁₆PcZn with …

From Clusters To Frameworks: Synthesis, Engineering, And Application Of Sub-2-Nanometer Nanoclusters And Microporous Covalent Organic Frameworks, Melika E Kenari

Chemistry Theses and Dissertations

In this dissertation, we have investigated the complex interplay of atomic composition, structural modifications in covalent organic frameworks (COFs), and atomic-level designs in bimetallic chiral nanoclusters (NCs). By synthesizing COFs and bimetallic NCs, we elucidated how these elements govern their exceptional catalytic, optical, and electronic properties. Our work demonstrates that precise atomic adjustments, tailored pore engineering in COFs, and the strategic use of chiral ligands in NCs enable fine-tuned reactivity and stability. These advancements were applied to enhance photocatalytic performance, optimize iodine adsorption, and facilitate asymmetric A3 coupling reactions, laying a robust foundation for practical applications and future innovations in …

The Chemistry Of Decomposition: The Mechanisms To Decay The Human Body, Lydia J. Buxa

Senior Honors Theses

Taphonomic analysis separates decomposition into four major stages: fresh, early decomposition, advanced decomposition, and skeletonization. It is easy to demarcate the observable changes to the body, but it is far more difficult to know what underlying biochemical processes are occurring. Fresh decomposition begins with algor mortis, livor mortis, and rigor mortis, which sets the stage for the major workforces of decomposition: autolysis and putrefaction. The external signs of decomposition appear in early decomposition, which can be attributed to the breakdown of proteins, lipids, carbohydrates, and nucleic acids. This also leads to major changes in the moisture levels during advanced decomposition, …

Electrocatalytic Nitric Oxide Reduction To Yield Ammonia Over Fe3C Nanocrystals, Sen Lin, Lang Zhang, Tong Hou, Jun-Yang Ding, Zi-Mo Peng, Yi-Fan Liu, Xi-Jun Liu

Journal of Electrochemistry

Nitric oxide (NO), which generally originates from vehicle exhaust and industrial flue gases, is one of the most serious air pollutants. In this case, the electrochemical NO reduction reaction (NORR) not only removes the atmospheric pollutant NO but also produces valuable NH₃. Hence, through the synthesis and modification of Fe₃C nanocrystal catalysts, the as-obtained optimal sample of Fe₃C/C-900 was adopted as NORR catalyst at ambient conditions. As a result, the Fe₃C/C-900 catalyst showed an NH₃ Faraday efficiency of 76.5% and an NH₃ yield rate of 177.5 μmol·h^–1·cm^{–2 …}

Identification Of Areas Of Weakness In Forensic Footwear Research, Kathryn Roy

Honors Projects

Forensic footwear examinations have been carried out for almost a century, but the foundational validity of identifying a questioned impression to a particular shoe has been questioned by the National Research Council and the President’s Council of Advisors on Science and Technology. The focus of this paper was to identify the current weaknesses present in forensic footwear impression research. Additionally, a future experiment was proposed to address these concerns and improve the foundational validity of footwear impression comparisons. A total of 15 footwear research studies varying in methodology and content were analyzed and contrasted. From this, a lack of studies …

The Analysis Of Reference Standard Storage Failures Through The Use Of Ibuprofen, Hope Vonder Brink

Honors Projects

Reference standards are commonly used in drug chemistry. They are used to calibrate the instruments and serve as a known point of reference for analysts’ ability to compare unknowns. Drugs can degrade over time or through environmental factors, causing contaminants to be present. In the event of environmental degradation while in storage, such as the exposure to high heat, it would be beneficial to have a database of known breakdown products in common drug reference standards for analysts’ reference. Using ibuprofen as an exemplar drug, this study attempted to identify the thermal breakdown products of ibuprofen and introduce the proposed …

Modeling Cis/Trans Preferences Of Sn("Acac")2cl2 Complexes, Luke L. Rising, Hanna Sunsdahl, Matthew Burrows, Juan Carlos Feregrino Ponce

Research & Creative Achievement Day

Tin(IV) complexes bearing two chloride ligands and two symmetric β-diketonate ligands exhibit octahedral geometries. As such, they can theoretically present in two geometric isomer forms, cis and trans. Modeling of isomeric forms of these Sn(IV) complexes with five different β-diketonate ligands has been conducted to identify overall preference as well as to attempt to ascertain any influence the ligand's own electronic properties has on exhibited isomeric preference. Additionally, modeled IR spectra of cis and trans forms were compared to determine the utility of that characterization method in distinguishing these isomers.

Modeling Sod1 Enzyme Mutations: Biochemistry Ii Lab Class Project, Jenna Bolduan, Elle K. Haumont

Research & Creative Achievement Day

Superoxide Dismutase 1 (SOD1) is an enzyme that catalyzes the detoxification of reactive oxygen species that cause damage to the body. Mutations of this protein can cause diseases, such as Amyotrophic Lateral Sclerosis (ALS). The structures of the SOD1 wild type and two of its deleterious mutations (A4V and L126*) were digitally modeled using the AI program AlphaFold3. Although a literature structure exists for A4V, no experimental structure data has been collected for L126*. The wild type and A4V structures were virtually identical, whereas the wild type and L126* structures had quite different features, with the mutant being smaller and …

An Exploration Of Simple Methods For The Purification And Separation Of Natural Curcuminoids, Eion S. Hinkle

Research & Creative Achievement Day

The separation of curcumin from other naturally occurring curcuminoids, such as demethoxycurcumin and bisdemethoxycurcumin, presents significant challenges due to their similar chemical structures. Conventional methods like column chromatography are energetically and environmentally costly, requiring large amounts of solvents and extended processing times. Alternatively, preparatory scale high-performance liquid chromatography (HPLC) offers high precision but necessitates expensive equipment, making it less accessible for routine laboratory use. This research explores simpler and more sustainable approaches to purify curcumin, aiming to reduce both the environmental impact and the financial burden associated with traditional separation techniques.

2025 Acssc Program, Acssc Planning Committee

Annual Celebration for Student Scholarship and Creativity

No abstract provided.

Exploring The Role Of Azoreductase Enzymes In Drug Metabolism: Implications For Personalized Medicine, Najoude Claude, Robert Ghergurovich

Chemistry & Biochemistry Student Scholarship

Najoude Claude ’26, Biology major

Robert Ghergurovich ’26, Biochemistry major

Faculty mentor: Dr. Tyler Stack, Chemistry and Biochemistry

The gut microbiome hosts trillions of microorganisms that metabolize xenobiotics such as drugs and food dyes. Individual differences lead to variable drug metabolism. We studied two azoreductases: E. coli’s P41407 and Alistipes sp. CHKCL003’s A0A143XFE8. Enzyme P41407 acted on methyl red and ethyl red, while A0A143XFE8 acted on these and also on phenol blue, HMND, and sunset yellow. We propose these enzymes function as quinone reductases, requiring a quinone-like intermediate. Three synthesized compounds confirmed similar kinetics. In conclusion, these insights significantly advance …

Discovery, Purification And Annotation Of Four Novel Mycobacteriophages In New England, Mason Krawczynski

Chemistry & Biochemistry Student Scholarship

Mason Krawczynski ’26, Biology and Psychology major

Faculty mentor: Dr. Kathleen Cornely, Chemistry and Biochemistry

Mycobacteriophages are viruses that infect bacteria of the Mycobacterium genus. Several thousand mycobacteriophages have been discovered, isolated, and characterized to advance the current understanding of their genomic diversity. The mycobacterium phage selection proves valuable, as they have a broad host range and potential for therapeutic application to treat pathogenic and antibiotic-resistant mycobacteria, such as Mycobacterium tuberculosis, the causative agent of tuberculosis infection. Kraw was isolated from a soil sample collected in Oaks Bluff, Massachusetts, on the island of Martha’s Vineyard in July 2023. FairyPath, Calvinny, …

Tools For Harnessing Atropisomerism In 1-Aryl-Β-Carbolines, Cristina Díaz, Malaquias Loiza, Josef Crenshaw, Brian Ladino, Elizabeth Perda, Alma Martinez, Joseph Mazzucca, John Stathoulopoulos

Chemistry & Biochemistry Student Scholarship

Cristina Díaz ’25, Chemistry major

Malaquias Loiza ’26, Biochemistry major

Josef Crenshaw ’28, Biochemistry major

Brian Ladino ’28, Biochemistry major

Elizabeth Perda ’26, Biochemistry major

Alma Martinez ’26, Biochemistry major

Joseph Mazzucca ’25, Biochemistry major

John Stathoulopoulos ’26, Chemistry major

Faculty mentor: Dr. Seann Mulcahy, Chemistry and Biochemistry

Axially chiral molecules with high barriers to rotation are becoming increasingly more prominent in drug discovery, chemical biology, and materials science. We have shown that 1-aryl-β-carbolines exhibit high configurationally stability, with barriers to rotation greater than 30 kcal/mol and have recently disclosed an asymmetric synthesis of these molecules. In this presentation, we …

Discovery, Purification And Annotation Of A Novel Mycobacteriophage Discovered On The Providence College Campus, Jenna Greene

Chemistry & Biochemistry Student Scholarship

Jenna Greene ’26, Biochemistry major

Faculty mentor: Dr. Kathleen Cornely, Chemistry and Biochemistry

Bacteriophages—viruses that infect bacteria—offer a promising alternative to antibiotics in the face of rising antibiotic resistance. In this project, I isolated a novel phage from a soil sample collected in front of Raymond Dining Hall at Providence College. Using Mycobacterium smegmatis as the host, the sample underwent multiple rounds of purification until a single phage, named GMonster (a nod to my family nickname, “Greene Monster”), was isolated. GMonster was submitted to the PhagesDB database and confirmed through sequencing to belong to the A1 cluster—the first of its …

Exploring An Electron-Rich Iron Tricarbonyl Complex Containing An Α-Diimine Ligand, Joseph Maher

Chemistry & Biochemistry Student Scholarship

Joseph Maher ’25, Chemistry major

Faculty mentor: Dr. Maria Carroll, Chemistry and Biochemistry

The combustion of fossil fuels increases atmospheric CO2, making hydrogen a promising cleaner energy alternative. Pt has been able to facilitate this reaction efficiently, however, it is expensive and scarce. Fe has shown promise in facilitating 2-electron transfers when bound to redox-active ligands. Reacting the redox-active CyDABMe with benzylidene acetone iron tricarbonyl (bdaFe(CO)3) forms Fe[CyDABMe](CO)3, with vCO values ~10 cm-1 lower than FeArDABMe(CO)3, indicating increased electron density. The reduction potential of CyDABMe was probed using Zn[CyDABMe]Cl2, showing a reduction at 200 mV more negative than Zn[ArDABMe]Cl2. X-ray …

Volume 16, Maggie Duncan, Madeline Little, Alicia Hoffman, Megan Livesay, Gabrielle Quaresma, Serenity Allen, Laina Pfountz, Ainslie Allred, Sabrina Robles, Nicholas J. Duellman, Trinity L. Deguzman, Melissa H. Savage, Margaret Dudley, Jocelyn Escobar, Olivia Hildreth, Olivia Hopkins, Benjamin Gettier, Lee Kassay, Jade Riddle, Ashley Seiders

Incite: The Journal of Undergraduate Scholarship

Introduction Dr. Amorette Barber, Director, Office of Student Research

From the Editor Dr. Hannah Dudley-Shotwell

Artist’s Statement Maggie Duncan

On Mentoring Dr. Lee Millar Bidwell

The Hujum Campaign in Uzbekistan and its Consequences by Madeline Little

Wet Cupping Compared to Dry Needling for Treatment of Patients with Low Back Pain: A Critically Appraised Topic by Alicia Hoffman and Megan Livesay

Optimization of eDNA Air Sampling Via 3D Printed Fan by Gabrielle Quaresma

Beyond the Classroom: A Qualitative Study of Teacher Attrition and Retention by Serenity Allen and Laina Pfountz

The Treatment of Subacromial Impingement Syndrome with Platelet-Rich plasma Injections Verses …

Investigation Of The Interaction Conditions Of As2s5 And Cucl2 Compounds In Water And Ethylene Glycol Medium, Huseyn Imanov, Mahnur Jafarli

Turkish Journal of Chemistry

The article presents the results of interaction conditions of CuCl2 and As2S5 in ethylene glycol and aquatic medium. Besides, results of the obtained samples' physicochemical properties are given by X-ray diffraction (XRD), differential thermogravimetric (DTG), thermogravimetric (TG), elemental and scanning electron microscope (SEM) methods. It was found that when ethylene glycol and water are used as a solvent and CuCl2 and As2S5 as the initial components, Cu3AsS4 is obtained at a temperature of 323-353 K. According to the results of DTA analysis, it was found that the melting point of obtained samples was 964.4 K contrary to the reactions carried …

Synthesis Of Thiazole-Integrated Pyrrolotriazinones: Evaluations Of Cytotoxicity And Effects On Pi3k Levels In Cancer Cells, Eylem Kuzu, Ege Arzuk, Fuat Karakuş, Burak Kuzu, Hasan Genç

Turkish Journal of Chemistry

The synthesis of novel heterocyclic compounds, particularly those targeting critical signaling pathways in cancer, represents a promising approach to drug development. In this study, we designed and synthesized a series of thiazole-integrated pyrrolotriazinone derivatives, aiming to combine the antiproliferative properties of thiazole with the PI3K inhibitory activity of pyrrolotriazinones. The PI3K pathway, which plays a critical role in regulating cell growth, proliferation, and survival, is frequently dysregulated in cancer, making it an attractive target for therapeutic intervention. The synthesized derivatives were evaluated for their cytotoxic activities against MCF-7, A549, and HepG2 cancer cell lines. Their effect on PI3K protein levels …

A New Turn Off Fluorescent Nir Probe For Hypochlorous Acid And Its Applications, Ayten Ibrahimova, Ayşe Nur Önem, Mehmet Altun, Emi̇n Ahmet Yeşi̇l, Asli Baysal, Hasan Saygin, Ahu Soyocak, Mustafa Özyürek

Turkish Journal of Chemistry

Hypochlorous acid (HOCl) is a potent nonradical oxidant involved in various physiological processes, particularly within the human immune system. In this study, we introduce a novel, rapid, and highly efficient fluorometric method for the detection of HOCl. The method utilizes a near-infrared (NIR)-based fluorescent probe, NIR-QBH, which is characterized by its high sensitivity and chemical stability. NIR-QBH, containing olefinic C=C bonds, exhibits strong NIR emission at 660 nm (λex = 618 nm). The detection mechanism relies on the oxidation of the C=C bond in the NIR-QBH structure by HOCl, resulting in the formation of non-fluorescent products. With a detection limit …

Trenching And Compost Sustain Grain Yield Increases Over Nine Years On Deep Sands But At A Cost, David J.M. Hall, Tom J. Edwards

Grain and Other Field Crops Research Articles

Context. Crops grown on deep sands on the south coast of WA are limited by soil physical and chemical properties including compaction and poor nutrition. Aims. Crops grown on deep sands on the south coast of Western Australia are limited by soil physical and chemical properties including compaction and poor nutrition. Our aim was to determine what effects deep-placed organic amendments have on soil properties and crop production in a deep sand and whether such amendments are profitable. Methods. A long-term field trial was conducted over nine years (2015–2023) to investigate soil amendments including lime (0 and …

Ecofriendly Synthesis And Characterization Of Oxygen-Enriched G-C3n4 From Diverse Precursors For Efficient Organic Dye Decontamination, Muchammad Tamyiz

Turkish Journal of Chemistry

Industrial wastewater from sectors such as textiles, printing, and pharmaceuticals contains harmful pollutants, including nonbiodegradable dyes, which pose significant challenges for environmental safety. Neutral red, a cationic dye commonly found in wastewater, obstructs photosynthesis in aquatic ecosystems and carries potential toxicity. Traditional methods of dye removal often prove ineffective due to the chemical stability of these compounds. In this study, oxygen-doped graphitic carbon nitride (O-doped g-C3N4) was synthesized as an innovative photocatalyst for the degradation of neutral red dye under visible light. The material was synthesized through a sustainable process involving the calcination of urea, dicyandiamide, and oxalic acid, and …

Inhibition Of Mif With An Allosteric Inhibitor Triggers Cell Cycle Arrest In Acute Myeloid Leukemia, Georgios Pantouris, Leepakshi Khurana, Pathricia Tilstam, Alison Benner, Thomas Yoonsang Cho, Martin Lelaidier, Mathieu Perrée, Zoe Rosenbaum, Lin Leng, Francine Foss, Vineet Bhandari, Amit Verma, Richard Bucala, Elias J. Lolis

Pacific Faculty Work

Macrophage migration inhibitory factor (MIF) is a key modulator of innate and adaptive immunity that has been extensively reported to promote tumor cell survival, proliferation, and metastasis. A recent study focusing on the microenvironment of acute myeloid leukemia (AML) showed that pharmacological inhibition of MIF signaling, in vitro as well as in vivo, reduces AML cell survival. Such data highlights the crucial role of MIF in AML pathogenesis and support the efforts for developing selective MIF modulators. Here, we report the identification and crystallographic characterization of a MIF inhibitor (compound 1) with an allosteric binding motif. Single point screening of …

Fabrication Of Au–Pd Bimetallic Dendrites And Their Catalytic Application For4-Nitrophenol Reduction, Jun Liu, Xuanyan Liu, Hongguang Liao

Turkish Journal of Chemistry

Bimetal nanocatalysts hold significant application potential in catalytic reactions due to their compositions, morphologies, and electronic structures. In the present work, a series of AuPd alloy dendrites were successfully prepared using sodium formate, without surfactants or templates. A systematic investigation was then conducted to analyze the composition of the AuPd bimetallic dendrites and the effects of preparation conditions on their structure and catalytic performance. The AuPd alloy dendrites were characterized through various techniques, including scanning electron microscopy, transmission electron microscopy, X-ray energy scattering spectroscopy, X-ray diffraction, and X-ray photoelectron spectroscopy. The results showed that the Au:Pd ratio in the AuPd …

Synthesis Of Novel Five-Membered Heterocycles As Bioactive Agents, Subrata Roy

Student Theses and Dissertations

This dissertation outlines the synthesis of various types of heterocyclic small molecules across three chapters. The first chapter discusses the efficient synthesis of seventy-one fluorinated pyrazole molecules and thirty-five 3,4-dihydroxy and 4-hydroxy phenyl-substituted thiazole molecules. These molecules were designed and synthesized for their potential antibacterial properties. The second chapter discusses the synthesis of fused thiazole molecules with enone-based steroidal natural products. This chapter reports on sixty-five novel fused thiazole molecules distributed across three libraries featuring different steroidal natural products: ethisterone, bisnoralcohol, and diosgenin. These molecules were designed and synthesized as potential anticancer agents. The third chapter comprises the development of …

Rewiring An Enzyme: K135f Mutation In Malate Dehydrogenase, Lauren Ratz, Kaci Schmoll

Undergraduate Research Symposium 2025

Malate Dehydrogenase (MDH) is an enzyme that catalyzes the reaction of malate to oxaloacetate by reducing the cofactor NAD+ to NADH in the citric acid cycle, playing a crucial role in cellular metabolism. Alterations in the MDH structure have been linked to metabolic diseases and cancers, though its overall structure remains poorly characterized. To better understand MDH, we manipulated its structure by inserting a point mutation into the flexible loop region at position 135, exchanging a lysine (Lys) to a phenylalanine (Phe). We hypothesized that mutating a positively charged amino acid (Lys) to an aromatic amino acid (Phe) would cause …

Antioxidant Properties Of Phytochemicals In Watercress And Mint Extracts In Serum Albumin, Perla Tovar

Undergraduate Research Conference

Hypothesis: Phytochemicals present in mint and watercress help stabilize protein under oxidative stress. Main Objective: Analyze the interaction of HSA with different phytochemicals present in mint extract.

Preservation And Integrity Of Laboratory Solutions: Understanding The Impact Of Storage Practices On Chemical Stability And Experimental Accuracy, Azza Al Jahdhami

Honors Theses

Chemical storage methods represent a key matter ignored within labs, educational sites, workplaces, and even households. Many people, including various students and instructors within the chemistry field, are unaware of the proper methods for storing and disposing of common chemicals. This study aims to understand the effects of storage practices on chemical stability and experimental accuracy, dealing with the following questions: What kind of effects result from improper chemical disposal? How can improper storage affect the overall chemical effectiveness? Why is sink disposal of many solutions discouraged, and why is waste container disposal always necessary?

Through a literature review, this …

Systematic Characterization Of The Homogeneous And Heterogeneous Hydrogen Halide Dimers, Yuan Xue, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

This study systematically characterizes the four homogeneous and six heterogeneous hydrogen-bonded dimers formed by hydrogen halide pairs (HX/HY where X, Y = F, Cl, Br, and I). The notation HX⋯HY indicates the direction of the hydrogen bond from the HY donor to the HX acceptor. All stationary points reported for these ten dimer systems are fully optimized utilizing the MP2 and CCSD(T) ab initio methods in conjunction with quadruple-ζ correlation-consistent basis sets augmented with diffuse functions, and their nature is verified by harmonic vibrational frequency computations. The electronic dissociation energies (De) for all ten global minima are evaluated near the …

The Delocalized Toolbox: Tuning Strain, Energetic And Optoelectronic Properties Of Aryl Heterocyclic Scaffolds For Application-Driven Endeavors, Michael Josef Holzmann

Chemistry and Chemical Biology ETDs

This is a three-part dissertation. Part 1 is composed of chapters 1-3 which revolves around the optimization of cyclononyne reactivity towards 1,3 dipolar cycloadditions. Specifically, the synthesis and reactivity of sulfate, sulfamate and sulfamide-bearing cyclononynes will be discussed. Chapters 4-5 comprise Part 2 which addresses optimization of ruthenium olefin metathesis towards reversible activation and inhibition. The mechanism of reversible inhibition mediated by a hexaarylbiimidazole photo-inhibitor will be elucidated. Part 3 consists of chapters 6-8 which describes structure-functional relationship studies on carbon dots and harnessing that insight for sensing applications. Data relating to assays performed with explosive analytes will be analyzed …

Solving The Structure Of An Ancestral Protein Tyrosine Phosphatase, Natalie Turcsanski, Edna Armah

Student Research Symposium

Protein tyrosine phosphatases (PTPs) regulate cell signaling by removing phosphate groups from tyrosine residues. Malfunction of these enzymes can lead to diseases such as diabetes and cancer. A conserved feature among PTPs is the catalytic acid loop, essential for phosphate removal. Computational analysis of PTP structures revealed that ancestral PTPs have considerable variation in conformations of this loop, sparking interest in their further study. The Asgard group, identified as ancestral to eukaryotic PTPs, was successfully expressed and purified under optimized conditions. Current efforts focus on optimizing crystallization to obtain larger crystals for structural analysis. This project will investigate the allosteric …