Chemistry Commons^™

Nmr Analyses Of Flavored E-Cigarette Liquids Before And After Aerosolization, Paul Joseph Kerber

Dissertations and Theses

Electronic cigarettes (e-cigarettes) are the most commonly used tobacco products among adolescents with ~11 and ~3% of high school and middle school students reporting past 30 day use in 2021 according to the Centers for Disease Control and Prevention (CDC), respectively. Furthermore, greater than ~80% of high school and middle school e-cigarette consumers use flavored e-liquids. Consumers can be exposed to variable toxicant levels upon e-liquid aerosolization, depending on the composition of the e-liquid, type of e-cigarette, e-cigarette settings, and other customizations.

E-liquids are typically composed of a carrier solvent (propylene glycol (PG) and glycerol (GL)), flavorants, and nicotine. PG …

Exploring Structure-Function Relationship In Small-Molecular Catalysts Using Computational And Experimental Methodologies, Avik Bhattacharjee

Dissertations and Theses

Molecular modeling is a useful tool in the field of catalyst design for various processes. The use of Density Functional Theory (DFT) is routine in almost every discipline of chemistry. This allows for a deeper understanding of a molecular system even in situations where implementation of an experimental technique is unfeasible. However, without the right choice of theory and insufficient description, the model becomes susceptible to produce ambiguous results. This often leads to poor correlation with experimental findings hence an incomplete understanding of the system under study. Hence, to acquire a thorough knowledge of the intricacies involved in a system, …

Synthesis Of Diaryl And Alkyl-Aryl Ethers Via Diaryl Iodonium Reagents, Rory Tennessee Gallagher

Dissertations and Theses

Substituted benzenoid rings are a prevalent motif in many industries including high tech, agrochemicals, and pharmaceuticals. As a result, the arylation of chemical compounds is a highly sought-after chemical transformation. There are many literature methods to achieve this chemical transformation, nucleophilic aromatic substitution and transition metal catalysis are both widely used and studied. Diaryliodonium salt mediated chemistry is an attractive alternative to these methods as it does not require the expensive toxic metals and designer ligands of transition metal catalysis and is not restricted to electron deficient aryl rings with specific substitution patterns like nucleophilic aromatic substitution.

Many diaryliodonium salt …

Efficient Capture Of Co2 And Its Selective Reduction To Formic Acid Using Tin-Based Nanomaterials, Emmanuel Oluwaseun Abdul

Dissertations and Theses

CO₂ emissions from the combustion of fossil fuels and other anthropogenic sources have become the main contributing factors to global warming. Chemical methods of absorbing/capturing CO₂ from combustion flue gases have made it a sought-after approach in engineering emission solutions because of its simplistic and convenient operation and high absorption efficiency. The conversion of CO₂ into renewable fuels and high energy density chemicals by clean and economic processes has drawn scientists' attention over the decades. The electrocatalytic conversion of CO₂ using Sn-based materials has been demonstrated to be a promising method for producing formate, an important …

Speciation Of Diaryliodonium Salts In Solution And Their Reactivity Towards N-Nucleophiles (Phthalimide And Amines) And O-Nucleophiles (Phenols And Phenoxide), Souradeep Basu

Dissertations and Theses

Benzenoid rings are prevalent in pharmaceutical drug molecules, agrochemical molecules and even in some polymers used in electronic device. Aryl rings are often installed using metal catalysis, however, metal free arylations are known but limited. Diaryliodonium salts are novel electrophilic arylating agents. Herein, metal free N-arylation of phthalimide and diarylether formation using aryl(TMP)iodonium salts is described.

The structure of diaryliodonium salts has been primarily studied in either the solid state or in-silico. The structure and speciation of diaryliodonium salts in solution is not well explored. In this work evidence of dimer formation of aryl(Mes)iodonium salts in chloroform using …

A Biomimetic Model For Oxidative Metabolism Of Thiopurine Drugs, Oluyemi Oludare Alo

Dissertations and Theses

Type B hepatotoxicity has been reported for thiopurines, and this has limited their clinical uses. Although a lot of research has been done on thiopurines, the precise mechanism of their hepatotoxicity is still unclear. The results of the in vitro and in vivo experiments aimed at assessing the products of their CYP450-mediated bioactivation have been contradictory. Although it has been theorized that the hepatic toxicity of this class of drug is caused by their bioactivation to electrophilic reactive metabolite (RM) and concomitant protein binding to form immunogenic adducts, resulting in direct cellular dysfunction or an immune response via the formation …

Materials And Methodologies For Spectroscopic And Optical Analytical Applications In Cultural Heritage Conservation Science, Lyndsay Nichole Kissell

Dissertations and Theses

The field of conservation science falls in the intersection of science and art. The work of conservation scientists may include any single subdiscipline of chemistry, though it is most commonly a highly interdisciplinary field taking skills from analytical, organic, and inorganic chemistry, as well as surface and materials science. The aims of conservation scientists are to answer questions about the production and aging of material cultural heritage. Knowing the materials used by an artist can lead to insight about the intentions of the object and knowing how those materials degrade will enable the use of preventative measures to ensure the …

Investigating Synthetic Methods For Tio2-Nayf4 Hybrid Nanocrystals, Nurul Muttakin

Dissertations and Theses

The capacity to develop and expand the utility of a single nanostructure is one of the major issues in the field of hybrid nanocrystals. Major advancements in the fabrication of materials with multiple functionalities by combining many materials into a single nanoparticle entity are intriguing, but they still pose obstacles that must be addressed. This trend has been spurred by significant progressions in the wet-chemical synthesis of durable and easily programmable nanocrystals with various morphologies. The extent of the structural complexity of solution-based nanocrystals looks to be one of the inevitable avenues along which nanoscience will increasingly focus. We have …

Nonhematopoietic Erythropoietin: A Study Of Signaling, Structure, And Behavior, Nicholas John Pekas

Dissertations and Theses

Erythropoietin (EPO) is a cytokine hormone known for initiating red blood cell proliferation by binding to its homodimer receptor (EPOR)2 in the bone marrow. Recent progress in neurobiology has shown that EPO also exerts robust neurotrophic and neuroprotective activity in the CNS. It is widely thought that EPO’s neurotrophic activity is centrally involved in its antidepressant and cognitive enhancing effects. However, EPO’s potent erythropoietic effects prevent it from being used in the clinic to treat psychiatric disorders. A chemically engineered non-erythropoietic derivative of EPO, carbamoylated EPO (CEPO), produces psychoactive effects without activating hematopoiesis. However, CEPO is expensive to produce and …

Analysis Of Blue Fountain Pen Ink By Uv-Vis Spectroscopy, Atr-Ftir Spectroscopy, And Thin Layer Chromatography Enhanced With Rgb Spot Evaluation To Construct A Database For Comparison And Identification., Elliot D. Quinteros

Dissertations and Theses

Pen ink can be a crucial piece of physical evidence in the area of Forensic Science. For example, evidence such as notes, letters, printed documents, checks, currency, ransom notes, and books may contain ink. Analysis of ink is typically done for identification or differentiation purposes. To improve existing methods, it was proposed to create a database with many samples and experimental information. The methods used and evaluated were thin-layer chromatography (TLC) enhanced with RGB spot evaluation, UV-Vis spectroscopy, and ATR-FTIR spectroscopy. All three methods were used to analyze 89 fountain pen ink samples. All three methods were able to discriminate …

Poly(Β-Gal-Thr): A New Scalable Synthetic Mucin, Manuel A. Lema

Dissertations and Theses

A method for the preparation of glycosylated polypeptides via the nucleophilic ring-opening polymerization of a glycosylated N-carboxyanhydride (NCA) monomer is reported. The synthesis of 2,3,4,6-tetraacetyl-β-galactose-threonine N-carboxyanhydride (β-AcO-Gal-Thr-NCA) monomer in 5 steps with an 8 % overall yield is described, and the single-crystal X-ray structure is provided. The effect of a series of Ni⁰-based organometallic initiators, nucleophilic amine initiators, co-catalysts, and solvents on the polymerization were explored. The kinetics of the three most promising conditions were studied in greater detail. The conditions that provided the highest yield, low polydispersity (Ð), and …

Computational Study Of Quorum Quenching Of N-Acyl Homoserine Lactones By Ion Pairing To Cations, Ashen Anuradha Suduweli Kondage

Dissertations and Theses

Biofilms are the default state of microbial life and their formation on surfaces influences many processes. The coordinated behavior of microorganisms including their growth into biofilms occurs through a process termed quorum sensing during which they excrete specific signaling molecules called autoinducers. Recently it has been observed that Ag+ and Cu2+ ions interact with N-hexanoyl-L-homoserine autoinducers thereby inhibiting quorum sensing. Such inhibitors are called quorum quenchers. In this study, we have used density functional theory (DFT) calculations to study the ion pairing between select cations and short chained N-acyl-homoserine lactone (AHL) type autoinducers that are used by gram negative bacteria. …