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Articles 3091 - 3120 of 33144

Full-Text Articles in Chemistry

Resonance Raman Spectra And Excited State Properties Of Methyl Viologen And Its Radical Cation From Time-Dependent Density Functional Theory, Umut Ozuguzel, Adelia J.A. Aquino, Reed Nieman, Shelley D. Minteer, Carol Korzeniewski Dec 2023

Resonance Raman Spectra And Excited State Properties Of Methyl Viologen And Its Radical Cation From Time-Dependent Density Functional Theory, Umut Ozuguzel, Adelia J.A. Aquino, Reed Nieman, Shelley D. Minteer, Carol Korzeniewski

Chemistry Faculty Research & Creative Works

Time-dependent density functional theory (TDDFT) was applied to gain insights into the electronic and vibrational spectroscopic properties of an important electron transport mediator, methyl viologen (MV2+). an organic dication, MV2+ has numerous applications in electrochemistry that include energy conversion and storage, environmental remediation, and chemical sensing and electrosynthesis. MV2+ is easily reduced by a single electron transfer to form a radical cation species (MV•+), which has an intense UV–visible absorption near 600 nm. the redox properties of the MV2+/MV•+ couple and light-sensitivity of MV•+ have made the system appealing for photo-electrochemical energy conversion (e.g., solar hydrogen generation from water) and …


Uniquely Tailored Ionic Materials For Implementation In Energy, Imagining, And Antibacterial Applications, Amanda Jalihal Dec 2023

Uniquely Tailored Ionic Materials For Implementation In Energy, Imagining, And Antibacterial Applications, Amanda Jalihal

Theses and Dissertations

In this dissertation, the novel class of ionic materials is explored. Ionic materials are easily tuned and tailored to fit a wide variety of applications. The synthesis of ionic materials is extremely simple and prompt. Briefly, two ionic moieties are joined electrostatically through a double displacement resulting in a new compound without complicated synthesis. This process leads to a close proximity of the ions which allows for enhancement of the FRET mechanism between a fluorophore and chromophore. A potential application of a FRET active ionic material is explored as a photosensitizer using IR820 and Nile Blue A. The ionic material, …


Comparative Synthesis Of Mil-100 Fe From Iron (Iii) And Ground Iron Characterization And Porous Property Evaluation, Animesh Dali '24, Khanh Nguyen '24, Hilary J. Eppley Dec 2023

Comparative Synthesis Of Mil-100 Fe From Iron (Iii) And Ground Iron Characterization And Porous Property Evaluation, Animesh Dali '24, Khanh Nguyen '24, Hilary J. Eppley

Annual Student Research Poster Session

MIL-100(Fe) is an iron-based metal-organic framework (MOF) known for its porous structure, crucial in various applications like gas storage, catalysis, drug delivery, and pollutant adsorption. In medical contexts, MIL-100(Fe) can encapsulate drugs, safeguarding them from unwanted interactions. These frameworks release drugs in specific conditions, ensuring targeted delivery. Our study investigated drug encapsulation using isoniazid (INH) and a structurally similar drug, Acetaminophen. We employed XRD, SEM imaging, Fourier Transform Infrared Spectroscopy, and UV-Vis Spectroscopy for material characterization and to probe drug absorption and delivery mechanisms.


Electrochemical And Colorimetric Nanosensors For Detection Of Heavy Metal Ions: A Review, Sayo Fakayode, Charuksha Walgama, Vivian E. Fernand Narcisse, Cidya Grant Dec 2023

Electrochemical And Colorimetric Nanosensors For Detection Of Heavy Metal Ions: A Review, Sayo Fakayode, Charuksha Walgama, Vivian E. Fernand Narcisse, Cidya Grant

Chemistry, Physics and Astronomy Faculty Scholarship

Human exposure to acute and chronic levels of heavy metal ions are linked with various health issues, including reduced children’s intelligence quotients, developmental challenges, cancers, hypertension, immune system compromises, cytotoxicity, oxidative cellular damage, and neurological disorders, among other health challenges. The potential environmental HMI contaminations, the biomagnification of heavy metal ions along food chains, and the associated risk factors of heavy metal ions on public health safety are a global concern of top priority. Hence, developing lowcost analytical protocols capable of rapid, selective, sensitive, and accurate detection of heavy metal ions in environmental samples and consumable products is of global …


Ionically Crosslinked Cellulose Nanocrystals By Metal Nitrates For The Preparation Of Stable Emulsions With Tunable Interface Properties, Joseph Batta-Mpouma, Gurshagan Kandhola, Jin-Woo Kim Dec 2023

Ionically Crosslinked Cellulose Nanocrystals By Metal Nitrates For The Preparation Of Stable Emulsions With Tunable Interface Properties, Joseph Batta-Mpouma, Gurshagan Kandhola, Jin-Woo Kim

Materials Science and Engineering Faculty Publications and Presentations

Biologically extracted cellulose nanocrystals (CNCs) are rod-like and amphiphilic materials with surface-exposed (hydrophilic sites) and hidden (hydrophobic sites) hydroxyl groups. These physicochemical characteristics make CNCs suitable for use as emulsifying agents to stabilize emulsions. Stable oil-in-water emulsions, using sulfated (i.e., – SO3−) CNCs that were ionically crosslinked with alkaline-earth (i.e., Mg 2+) or transition-d-block (i.e., Zn 2+) metal cations, were developed without the use of any synthetic surfactants or prior functionalization of pure CNCs with hydrophobic molecules. Various emulsion surface properties such as interfacial tension, surface charge, surface chemistry, as well as rheology were characterized. Ionically …


Beyond N-Dopants For Organic Semiconductors: Use Of Bibenzo[D]Imidazoles In Uv-Promoted Dehalogenation Reactions Of Organic Halides, Kan Tang, Megan R. Brown, Chad Risko, Melissa K. Gish, Garry Rumbles, Phuc H. Pham, Oana R. Luca, Stephen Barlow, Seth R. Marder Dec 2023

Beyond N-Dopants For Organic Semiconductors: Use Of Bibenzo[D]Imidazoles In Uv-Promoted Dehalogenation Reactions Of Organic Halides, Kan Tang, Megan R. Brown, Chad Risko, Melissa K. Gish, Garry Rumbles, Phuc H. Pham, Oana R. Luca, Stephen Barlow, Seth R. Marder

UK CARES Faculty Publications

2,2’-Bis(4-dimethylaminophenyl)- and 2,2'-dicyclohexyl-1,1',3,3'-tetramethyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d]imidazole ((N-DMBI)2 and (Cyc-DMBI)2) are quite strong reductants with effective potentials of ca. −2 V vs ferrocenium/ferrocene, yet are relatively stable to air due to the coupling of redox and bond-breaking processes. Here, we examine their use in accomplishing electron transfer-induced bond-cleavage reactions, specifically dehalogenations. The dimers reduce halides that have reduction potentials less cathodic than ca. −2 V vs ferrocenium/ferrocene, especially under UV photoexcitation (using a 365 nm LED). In the case of benzyl halides, the products are bibenzyl derivatives, whereas aryl halides are reduced to the corresponding arenes. The potentials of the halides that can be …


Expflow: A Graphical User Interface For Automated Reproducible Electrochemistry, Rebekah Duke, Siamak Mahmoudi, Aman Preet Kaur, Vinayak Bhat, Ian C. Dingle, Nathan C. Stumme, Scott K. Shaw, David L. Eaton, Asmund Vego, Chad Risko Dec 2023

Expflow: A Graphical User Interface For Automated Reproducible Electrochemistry, Rebekah Duke, Siamak Mahmoudi, Aman Preet Kaur, Vinayak Bhat, Ian C. Dingle, Nathan C. Stumme, Scott K. Shaw, David L. Eaton, Asmund Vego, Chad Risko

UK CARES Faculty Publications

Reproducible data and results underpin the credibility and integrity of research findings across the sciences. However, experiments and measurements conducted across laboratories, or by different researchers, are often hindered by incomplete or inaccessible procedural data. Additionally, the time and resources needed to manually perform repeat experiments and analyses limit the scale at which experiments can be reproduced. Both improved methods for recording and sharing experimental procedures in machine- readable formats and efforts towards automation can be beneficial to circumvent these issues. Here we report the development of ExpFlow, a data collection, sharing, and reporting software currently customized for electrochemical experiments. …


Liquid Chromatography Mass Spectrometry Method Development For The Determination Of Β–Defensins In Bovine Milk, Elisha Ogbebor Dec 2023

Liquid Chromatography Mass Spectrometry Method Development For The Determination Of Β–Defensins In Bovine Milk, Elisha Ogbebor

Masters Theses & Specialist Projects

Bovine mastitis is caused by a wide range of pathogens which results in a substantial economic loss for the dairy cattle livestock industry. β-defensins are a part of the innate immune system and act as the first line of defense against mastitis in bovine. β-defensins (~6- 10kDa) are antimicrobial peptides that contain about 28 to 67 amino acids, the presence of six cysteine residues results in their three disulfide bonds and a β-sheet structure. A few β- defensins have been identified in cows based on the site of occurrence and time of expression in tissue, but not in milk. A …


Towards The Quantification Of Estrone And 17Β-Estradiol Conjugates In Dairy Cattle Urine Sorptive Stir Bar Extraction And Gas Chromatography-Mass Spectometry, S.M. Istiak Ahmed Dec 2023

Towards The Quantification Of Estrone And 17Β-Estradiol Conjugates In Dairy Cattle Urine Sorptive Stir Bar Extraction And Gas Chromatography-Mass Spectometry, S.M. Istiak Ahmed

Masters Theses & Specialist Projects

The global concern regarding the presence of compounds with estrogenic properties in the environment has grown significantly. Endocrine-disrupting compounds (EDCs) are environmental pollutants that disrupt the endocrine systems of both wildlife and humans. Estrogens, with their potent estrogenic effects, are particularly noteworthy among the various substances with endocrine-disrupting properties. They are of concern due to their prevalence in the environment, especially due to dairy waste contamination. These lipophilic compounds can accumulate in livestock fat tissues, potentially entering the human food chain. Sulfated forms of estrone and β- estriol, which exhibit a higher degree of saturation than their non-conjugated counterparts, have …


A Bio-Tribocorrosion Comparison Between Additively Manufactured And Forged Ti6al4v Parts, Sina Matin, Sahar Toorandaz, Saman Nikpour, Hamidreza Abdolvand, Eshan Toyserkani, Yolanda S. Hedberg Dec 2023

A Bio-Tribocorrosion Comparison Between Additively Manufactured And Forged Ti6al4v Parts, Sina Matin, Sahar Toorandaz, Saman Nikpour, Hamidreza Abdolvand, Eshan Toyserkani, Yolanda S. Hedberg

Chemistry Publications

Ti6Al4V has been used widely as a biomedical alloy and is increasingly manufactured by additive manufacturing due to customized shapes. As implant material, it is frequently exposed to both friction and corrosive environments. This study investigates the effect of the fabrication process (laser powder bed fusion and forging) on the tribocorrosion behavior of Ti6Al4V in various environments including diluted hydrochloric acid to simulate the acidic environment in a crevice (HCl), phosphate-buffered saline (pH 7.3) with 10 g/L bovine serum albumin (PBS+BSA), and PBS+BSA with 30 mM H2O2. While the presence of BSA hindered the repassivation (reforming of the protective passive …


Electrodeposition Parameters Dramatically Influence The Morphology, Stability, And Performance Of N-Si/Pt Light-Addressable Electrochemical Sensors, Jocelyn B. Hernandez, Zackary D. Epright, Irina M. Terrero Rodríguez, Glen D. O'Neil Dec 2023

Electrodeposition Parameters Dramatically Influence The Morphology, Stability, And Performance Of N-Si/Pt Light-Addressable Electrochemical Sensors, Jocelyn B. Hernandez, Zackary D. Epright, Irina M. Terrero Rodríguez, Glen D. O'Neil

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Light addressable electrochemical (LAE) sensors have seen great utility in the past several years because they enable multiple localized electrochemical measurements to be performed on a single macroscopic electrode, opening up applications in imaging, biosensing, surface patterning, and multiplexing. In this study, we investigated the effects of electrodeposition on the formation of LAE sensors formed between n-Si and electrodeposited Pt. We prepared sensors by electrodepositing Pt onto freshly-etched n-Si under a variety of conditions, varying the Pt precursor concentration, electrodeposition time, supporting electrolyte, and potential waveform. We characterized the sensors using a combination of atomic force microscopy, electrochemical impedance spectroscopy, …


Ru(Ii) Polypyridyl Photosensitizers For Phototherapy, Houston Cole Dec 2023

Ru(Ii) Polypyridyl Photosensitizers For Phototherapy, Houston Cole

Chemistry & Biochemistry Dissertations - Archive

This dissertation describes the design, synthesis, and photobiological characterization of key target molecules that modify the 1) length of the IP-nT “PDT” ligand, 2) electronic nature of the bipyridine or phenanthroline type ancillary ligands, and 3) chirality of the coordination complex. The targets and subsequent studies will test the hypothesis that molecules with low-lying and long-lived 3ILCT states are responsible for this unusually high photocytotoxic potency and seeks to further understand what structural features (aside from the IP-nT ligand) lead to more favorable photobiological properties.


Synthesis And Characterization Of Pyrazine-Based Prodrugs: A Novel Approach To Combat Multi-Drug Resistant Tuberculosis, Charles Chambers Dec 2023

Synthesis And Characterization Of Pyrazine-Based Prodrugs: A Novel Approach To Combat Multi-Drug Resistant Tuberculosis, Charles Chambers

Chemistry & Biochemistry Theses - Archive

Synthesis and Characterization of Pyrazine-Based Prodrugs: A Novel Approach to Combat Multi-Drug Resistant Tuberculosis Charles Cole Chambers The University of Texas – Arlington, 2023 Supervising Professor: Dr. Joseph Buonomo. The work described in this thesis investigates the development and characterization of a novel prodrug designed to combat multi-drug resistant tuberculosis (MDR-TB), a significant and growing global health challenge. Central to this study is the synthesis of a pyrazine-based prodrug, which innovatively utilizes bicyclic orthoester (BOE) moieties to improve the therapeutic efficacy and safety profile of this tuberculosis treatment. At the core of this research project is the strategic design of …


Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio Dec 2023

Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio

All Dissertations

Designing new catalytic and sorption materials is necessary to limit global temperature rise below 1.5 ◦C by 2050, while also meeting global energy demands. Climate change and energy production are not mutually exclusive; global population growth has direct impacts on global energy demands and climate. In both catalysis and adsorption applications, new technologies are needed to address these challenges. Catalysis can provide alternate, low-energy routes for converting low-value gases into higher-value chemical commodities, thus altering our current energy production. Likewise, new sorption materials can capture previously emitted CO2 from decades of energy production from fossil fuels, thus helping to …


Analysis Of Pharmaceutical Residues In Wastewater From Al Ain, United Arab Emirates Using Liquid Chromatography - Tandem Mass Spectrometry And Circular Dichroism: Potential Hazardous Emergent Contaminants, Maya Iyad Berakdar Dec 2023

Analysis Of Pharmaceutical Residues In Wastewater From Al Ain, United Arab Emirates Using Liquid Chromatography - Tandem Mass Spectrometry And Circular Dichroism: Potential Hazardous Emergent Contaminants, Maya Iyad Berakdar

Theses

Although water is the second essential substance to life after air, clean water resources in many regions of the world have become limited because of climate change, establishing rivers’ dams and contaminations with hazardous life-threatening chemicals. Pharmaceutical residues in aquatic environments have been recognized as emerging contaminants causing adverse ecological and human health risks. Hundreds of pharmaceutical compounds and their metabolites were found in surface, underground, drinking, and sewage waters in many countries. In the United Arab Emirates, millions of drugs’ dosages are annually used for human, poultry, and veterinary treatments. Drugs execrated as unchanged, metabolites or excesses can find …


Regioselective Catalytic Synthesis Of Potentially Bioactive 1,3,4-Selenadiazole, Mohamed Ali Mahmoud Dec 2023

Regioselective Catalytic Synthesis Of Potentially Bioactive 1,3,4-Selenadiazole, Mohamed Ali Mahmoud

Theses

Isoselenocyanates have a crucial role as reactants in chemical processes, facilitating the efficient synthesis of significant chemical intermediates and physiologically active chemicals. The utilization of (Z)-2-oxo-N-phenylpropanehydrazonoyl chlorides in a one-step procedure for the synthesis of the core structure of various heterocyclic compounds has been widely explored. This study focuses on the synthesis of 5-arylimino-1,3,4-selenadiazole derivatives through the reaction of isoselenocyanates with various substituted (Z)-2-oxo-N-phenylpropanehydrazonoyl chlorides. The objective is to achieve selective and accurate formation of these derivatives. The derivatives exhibit a diverse range of functional groups on both aryl rings. The synthetic procedure is conducted under ambient conditions, promoting environmental …


Nanoparticles And The Environment: Biopolymer Grafted Cellulose And Screen-Printed Carbon Nanotube Composites, Dominique Henry Porcincula Dec 2023

Nanoparticles And The Environment: Biopolymer Grafted Cellulose And Screen-Printed Carbon Nanotube Composites, Dominique Henry Porcincula

Master's Theses

A host of environmental issues will define the state of the environment in the 21st century, with plastic pollution and water shortages among them. While solutions to these problems require large-scale, multipronged solutions, one way we can address them is through material innovation and the use of nanoparticles.

In the first project, we address the issue of plastic pollution by creating nanocomposites of biodegradable polymers (PLA and PCL) with cellulose nanofibrils. Here, PLA and PCL are grafted from the surface of cellulose nanofibrils via ring-opening polymerization of cyclic ester monomers. Polymer-grafted cellulose (PGC) is characterized with structural analysis, solubility …


Insight Into The Binding Of Argon To Cyclic Water Clusters From Symmetry-Adapted Perturbation Theory, Carly A. Rock, Gregory S. Tschumper Dec 2023

Insight Into The Binding Of Argon To Cyclic Water Clusters From Symmetry-Adapted Perturbation Theory, Carly A. Rock, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

This work systematically examines the interactions between a single argon atom and the edges and faces of cyclic H (Formula presented.) O clusters containing three–five water molecules (Ar(H (Formula presented.) O) (Formula presented.)). Full geometry optimizations and subsequent harmonic vibrational frequency computations were performed using MP2 with a triple- (Formula presented.) correlation consistent basis set augmented with diffuse functions on the heavy atoms (cc-pVTZ for H and aug-cc-pVTZ for O and Ar; denoted as haTZ). Optimized structures and harmonic vibrational frequencies were also obtained with the two-body–many-body (2b:Mb) and three-body–many-body (3b:Mb) techniques; here, high-level CCSD(T) computations capture up through the …


A Noninvasive Urine-Based Method For Kidney Cancer Early Detection, Kiana Holbrook Dec 2023

A Noninvasive Urine-Based Method For Kidney Cancer Early Detection, Kiana Holbrook

Open Access Theses & Dissertations

Based on the traditional serological uses to obtain diagnoses of cancer and biopsy techniques, common cancer detection could be not only invasive but expensive and some tests are also unreliable. Currently, urine is one of the most frequently used and collected specimens in the clinical diagnoses. While the areas of urinalysis and metabolomic profiling has received interest in the top clinical research, there are limited components to the validity, specificity, as well as sensitivity of endogenous urine substrates to detect early stages of cancers. Although there is research showcasing that urine is impacted by age, cancer type, geographical location, and …


Niobate Nanosheet Catalysts For Cationic Dye Intercalation And Solar-Driven Water Photolysis, Cassandra Idona Monárrez-Grendahl Dec 2023

Niobate Nanosheet Catalysts For Cationic Dye Intercalation And Solar-Driven Water Photolysis, Cassandra Idona Monárrez-Grendahl

Open Access Theses & Dissertations

With the goal of creating efficient visible light photocatalysts for water photolysis, in this work we are exploring the synthesis of new porous oxide materials derived from potassium triniobate (KNb3O8) and titanium niobium oxide (KTiNbO5), which are layered wide band gap semiconductors. Generating hydrogen via direct water photolysis holds promise as a way to lower the cost of hydrogen gas production so it can be used as a renewable and clean alternative fuel. My group has demonstrated that layered semiconductor materials have the potential to enable the synthesis of new types of photocatalyst composites with customizable characteristics. In this work, …


Applications Of Diels-Alder Cycloadditions And Transition Metals As Catalysts To Recent Total Syntheses, Alexander H.C. Evans Dec 2023

Applications Of Diels-Alder Cycloadditions And Transition Metals As Catalysts To Recent Total Syntheses, Alexander H.C. Evans

Legacy Theses & Dissertations (2009 - 2024)

This thesis examines the recent advances in the applications of Diels-Alder cycloaddition reaction and Suzuki-Miyaura coupling to total syntheses of antibiotic and anti-cancer drugs. Attention is also given to intramolecular Diels-Alder cycloadditions and the use of Kinetic vs. Thermodynamic conditions. The results of the Diels-Alder cycloadditions that are discussed oftentimes result in high stereospecificity, regioselectivity, and stereoselectivity. The applications of Suzuki-Miyaura coupling and transition metal catalysts to total syntheses problems are also discussed along a similar narrative. Attention is given specifically to the use of several different gold catalysts as well as Grubb’s Catalyst. The use of the Diels-Alder cycloaddition …


Solubility, Reactivity And Diffusion In Polymeric Bilayer Thin Films, Jacob Sitterly Dec 2023

Solubility, Reactivity And Diffusion In Polymeric Bilayer Thin Films, Jacob Sitterly

Legacy Theses & Dissertations (2009 - 2024)

Microelectronics manufacturing of modern devices has required the use of polymer photoresists in several essential steps. The traditional limitation in device capability has been dependent on the minimum feature size attainable by the wavelength of light and materials used in photolithography. In this thesis the study of polymer thin films in single and bilayer stacks is described. Three scientific concepts are fundamental to this study: (1) the diffusion and (2) reaction of acid and small molecules that change polymer (3) solubility. In this thesis, two chemical systems are designed and used to study these three scientific concepts.


The Effects Of Aggregation Of Tetrafluoro(Trifluoromethyl-Λ6-Sulfanyl) Ethanes On The Secondary Structure Stabilization Of Melittin: A Molecular Dynamics Simulation Study, Samadrita Biswas Dec 2023

The Effects Of Aggregation Of Tetrafluoro(Trifluoromethyl-Λ6-Sulfanyl) Ethanes On The Secondary Structure Stabilization Of Melittin: A Molecular Dynamics Simulation Study, Samadrita Biswas

Legacy Theses & Dissertations (2009 - 2024)

Introduction of novel tetrafluoro(trifluoromethyl-λ6-sulfanyl) (CF3SF4) functional group has garnered substantial interest because of its increased hydrophobicity. This super fluorinated group attributed to increased lipophilicity, decreased heat of vaporization, and lowered dielectric constants. The highly electronegative nature of this group can profoundly influence the reactivity of compounds containing the CF3SF4 moiety. The hypervalency associated with this new group presents an exciting platform to explore the fundamental understanding of molecular interactions, reactivity patterns, and electronic behaviors. This dissertation investigates the molecular properties and behaviors of tetrafluoro(trifluoromethyl-λ6-sulfanyl) ethanes (CF3SF4-ethanes), with a specific emphasis on 2-tetrafluoro(trifluoromethyl)-λ6-sulfanylethan-1-ol (CF3SF4-ethanol) and 2-tetrafluoro(trifluoromethyl)-λ6-sulfanylethanamine (CF3SF4-ethanamine). Utilizing ab initio calculations …


Photosensitized Chemically Amplified Resist (Pscar) For Extreme Ultraviolet Lithography (Euvl), Israt Hossain Dec 2023

Photosensitized Chemically Amplified Resist (Pscar) For Extreme Ultraviolet Lithography (Euvl), Israt Hossain

Legacy Theses & Dissertations (2009 - 2024)

As Deep Ultraviolet (DUV) Photolithography has hit the limit in further shrinking semiconductor devices' critical dimension (CD) down to below 10 nm, using Extreme Ultraviolet (EUV) 13.5 nm wavelength is under intense development. EUV has higher resolution (R) as a consequence of the shorter wavelength, but EUV sources have much lower light intensity than DUV light sources, leading to sensitivity challenges. While light source intensity and photoresist sensitivity (S) have a complementary relationship, and high intensity EUV light source development only progresses slowly, this paper discusses other novel approaches to improve photoresist sensitivity with low intensity EUV light. Photosensitization chemistry …


Planar, Twisted, And Macrocyclic Polyarenes: Structures, Reduction Limits, And Reactivity, Matthew John Pennachio Dec 2023

Planar, Twisted, And Macrocyclic Polyarenes: Structures, Reduction Limits, And Reactivity, Matthew John Pennachio

Legacy Theses & Dissertations (2009 - 2024)

Molecular nanocarbons, which can be considered as fragments of fullerenes, carbon nanotubes, or graphene have invigorated the rapid development of carbon chemistry at the nanoscale in recent decades. Not only do molecular nanocarbons possess extraordinary chemical and physical properties, but they also exhibit such unique features as controllable and scalable molecular compositions, atomically uniform precision, and good stability. The advance of nanocarbon chemistry give rise to unique applications such as electron transfer, semiconductors, superconductors, and lithium-ion batteries. However, an in-depth understanding of controlled doping, charge transfer effects, and structure–property correlations has been limited in nanocarbon chemistry due to the lack …


Stress-Sensing In Flexible Epoxy Adhesives, Christine Rukeyser Dec 2023

Stress-Sensing In Flexible Epoxy Adhesives, Christine Rukeyser

Honors Theses

In mechanochemistry, mechanical force causes a chemical change using small molecules, called mechanophores, by covalently connecting them into polymer materials. Stress-sensing mechanophores give a visual signal of mechanical force on the molecular level within a material. To our knowledge, stress-sensing mechanophores have never been incorporated into a commercially available epoxy kit. In this work, the characterization of two 3MTM Scotch-Weld TM Epoxy Adhesive kits: DP100 Plus Clear and DP190 Translucent have been completed through FT-IR Spectroscopy. The addition of the mechanophore spiropyran to the 3M kits will be discussed; as well as preparation and characterization of three dimerized anthracene derivatives. …


Studies Toward A Total Synthesis Of The Pyrrole-Imidazole Alkaloid Palau'amine And Computationally Assisted Stereochemical Elucidation, Brandon Fulton Dec 2023

Studies Toward A Total Synthesis Of The Pyrrole-Imidazole Alkaloid Palau'amine And Computationally Assisted Stereochemical Elucidation, Brandon Fulton

Chemistry & Biochemistry Dissertations - Archive

This thesis documents progress toward a total synthesis of the marine natural product palau'amine, a stereochemically dense hexacyclic pyrrole-imidazole alkaloid with pharmaceutically relevant anticancer, antifungal, and antibacterial activity. Also described herein are several miscellaneous synthesis projects and the application of computational NMR as an aid for solving structure elucidation problems. Chapter 1 is a continuation of our lab’s prior work utilizing vinylimidazoles in cycloaddition reactions to gain rapid access to scaffolds resembling dimeric pyrrole-imidazole alkaloids such as ageliferin or palau’amine. Mechanistic aspects of these cycloadditions for both inter- and intramolecular cases were probed via time-course NMR experiments and computational studies, …


Chemical And Biological Catalysis Using A Functionalized Fluorinated Phthalocyanine, Mary Chiọma Okorie Dec 2023

Chemical And Biological Catalysis Using A Functionalized Fluorinated Phthalocyanine, Mary Chiọma Okorie

Seton Hall University Dissertations and Theses (ETDs)

Phthalocyanines, a class of photosensitizers that generate 1O2 using visible light, have been widely used in a variety of applications such as catalysis, solid-state materials, and photodynamic therapy. A 3rd generation, namely functionalized fluorinated phthalocyanines, F48H7(COOH)PcMetal, containing a carboxylic acid “tail” allows the Pc to be anchored onto supports such as metal oxides, producing a new family of supported photocatalysts, F48H7(COOH)PcZn-Oxides.

These new materials photooxidize toxic thioethers mainly to less toxic sulfoxides using visible light and air, a genuine green chemistry pathway. The catalysts are robust and survive reactive …


Rapid Reaction Studies On The Chemistry Of Flavin Oxidation In Urocanate Reductase, Niusha Delavari Dec 2023

Rapid Reaction Studies On The Chemistry Of Flavin Oxidation In Urocanate Reductase, Niusha Delavari

Masters Theses

Urocanate reductase (UrdA) is a bacterial flavin-dependent enzyme that reduces urocanate to imidazole propionate, enabling bacteria to use urocanate as an alternative respiratory electron acceptor. Elevated serum levels of imidazole propionate are associated with the development of type 2 diabetes and, since UrdA is only present in humans in gut bacteria, this enzyme has emerged as a significant factor linking the health of the gut microbiome and the metabolic disorder insulin resistance. Here we investigated the chemistry of flavin oxidation by urocanate in the isolated FAD domain of UrdA (UrdA’) using anaerobic stopped-flow experiments at 4 °C. This analysis unveiled …


Deficiency Of Acute-Phase Serum Amyloid A Exacerbates Sepsis-Induced Mortality And Lung Injury In Mice, Ailing Ji, Andrea C. Trumbauer, Victoria P. Noffsinger, Luke W. Meredith, Brittany Dong, Qian Wang, Ling Guo, Xiangan Li, Frederick C. De Beer, Nancy R. Webb, Lisa R. Tannock, Marlene E. Starr, Christopher M. Waters, Preetha Shridas Dec 2023

Deficiency Of Acute-Phase Serum Amyloid A Exacerbates Sepsis-Induced Mortality And Lung Injury In Mice, Ailing Ji, Andrea C. Trumbauer, Victoria P. Noffsinger, Luke W. Meredith, Brittany Dong, Qian Wang, Ling Guo, Xiangan Li, Frederick C. De Beer, Nancy R. Webb, Lisa R. Tannock, Marlene E. Starr, Christopher M. Waters, Preetha Shridas

Saha Cardiovascular Research Center Faculty Publications

Serum amyloid A (SAA) is a family of proteins, the plasma levels of which may increase >1000-fold in acute inflammatory states. We investigated the role of SAA in sepsis using mice deficient in all three acute-phase SAA isoforms (SAA-TKO). SAA deficiency significantly increased mortality rates in the three experimental sepsis mouse models: cecal ligation and puncture (CLP), cecal slurry (CS) injection, and lipopolysaccharide (LPS) treatments. SAA-TKO mice had exacerbated lung pathology compared to wild-type (WT) mice after CLP. A bulk RNA sequencing performed on lung tissues excised 24 h after CLP indicated significant enrichment in the expression of genes associated …