Organic Chemistry Commons^™

A Photoswitchable Hydrogen Bond Array, Kristen L. Perry, Fereshteh Davoud, James A. Wisner

Undergraduate Student Research Internships Conference

No abstract provided.

Synthesis Of Nucleotide Prodrugs As Potential Antiviral Agents, Mohammed Attaelmanan

Undergraduate Student Research Internships Conference

No abstract provided.

Automated Parsing Of Flexible Molecular Systems Using Principal Component Analysis And K-Means Clustering Techniques, Matthew J. Nwerem

Computational and Data Sciences (MS) Theses

Computational investigation of molecular structures and reactions of biological and pharmaceutical interests remains a grand scientific challenge due to the size and conformational flexibility of these systems. The work requires parsing and analyzing thousands of conformations in each molecular state for meaningful chemical information and subjecting the ensemble to costly quantum chemical calculations. The current status quo typically involves a manual process where the investigator must look at each conformation, separating each into structural families. This process is time-intensive and tedious, making this process infeasible in some cases, and limiting the ability of theoreticians to study these systems. However, the ...

Characterization Techniques And Cation Exchange Membrane For Non-Aqueous Redox Flow Battery, Kun Lou

Doctoral Dissertations

The motivation of this work comes from one of the major problems of emerging non-aqueous flow battery (NAFB) that a separator or membrane which facilitates conductivity and blocks redox species crossover does not exist. Although many aspects of principles can be mirrored from mature fuel cell and aqueous flow battery, it is found that some well-defined membrane properties in aqueous systems such as swelling, transport and interactions are different in non-aqueous solvents to some extent. However, the approach of this work does follow the way perfluorosulfonate ion exchange membrane (PFSA) facilitated development of fuel cell and aqueous flow battery in ...

Synthesis Of The Diazonium Zwitterionic Polymer/Monomer For Use As The Electrolyte In Polymer Electrolyte Membrane (Pem) Fuel Cells, Josiah Marshall

Electronic Theses and Dissertations

My research goals are to synthesize new zwitterionic perfluorosulfonimide (PFSI) monomer/polymers. They are expected to replace traditionally used perfluorosulfonic acid (PFSA) polymers as the electrolyte in PEM fuel cells. For the PFSI monomer preparation, we designed a nine-step synthesis route. Thus far, I have successfully completed the synthesis of 4- (2-bromotetrafluoroethoxy)-benzenesulfonyl amide, 4-acetoxybenzenesulfonic acid sodium salt, and 4-chlorosulfonyl phenyl acetate. The coupling reaction of 4-(2-bromotetrafluoroethoxy)- benzenesulfonyl amide with 4-chlorosulfonyl phenyl acetate, was troublesome due to slow reaction kinetics and byproducts. Additionally, I did a methodology study for the homopolymerziation of the perfluoro 3(oxapent-4-ene) sulfonyl fluoride monomer ...

Dissolved Organic Carbon And The Potential Role To Stream Acidity In The Great Smoky Mountains National Park, Jason R. Brown

Masters Theses

A substantial societal shift towards environmental awareness has focused research efforts on the impacts of pollution on natural landscapes. Improvements to pollutant regulations and technology have resulted in sizeable reductions of atmospheric deposition of anthropogenic acids, especially nitrates and sulfates, which has altered the role of these ions in the environment. As such, understandings of environmental chemistry dynamics have required regular updating.

Through the National Park Service Vital Signs monitoring program, increases in precipitation pH observed in Great Smoky Mountains National Park (GRSM) has been attributed to the reduction of inorganic acid concentrations. Unfortunately, these improvements have not been uniformly ...

Nanoorthogonal Surface Modifications Of Gold Nanoparticles And Nanoclusters Through Strain-Promoted Cycloaddition Chemistry, Praveen N. Gunawardene

Electronic Thesis and Dissertation Repository

This thesis explores the preparation of thiolated gold nanoparticles (AuNPs) and thiolated gold nanoclusters (AuNCs) capable of undergoing post-assembly surface modifications using two common “bioorthogonal” click reactions: the strain-promoted alkyne-azide cycloaddition (SPAAC) reaction (which occurs between a strained-alkyne and an azide) and the strain-promoted alkyne-nitrone cycloaddition (SPANC) reaction (which occurs between a strained-alkyne and a nitrone). Due to their rapid and modifiable reaction kinetics, high chemoselectivity, and stability of the reactive partners, these reactions were originally designed to tether functional substrates to biologically sensitive biomolecules, without altering their structure or perturb the biologically sensitive environments in which they operate in ...

Design Of Antioxidant Monomer, Augustine Osilamah Yusuf

Masters Theses & Specialist Projects

Reactive oxygen species such as hydrogen peroxide are present at the sites of inflammation in the body. Degradable polymeric nanoparticles have shown great promise in a range of biomedical applications which include preferential delivery of therapeutics to such inflamed sites. We are working towards a new class of materials expected to have tunable degradation rates in the presence of hydrogen peroxide. These new materials consist of three parts: degradable linkages, antioxidant groups, and unreactive filler monomers such as methylmethacrylate. We have synthesized a polymerization initiator with a degradable linkage, and we have shown that using this initiator to synthesize another ...

Functionalized Ionic Liquids For Improved Co2 Hydrogenation Catalysts, Amol Nanduji Jaybhaye

Masters Theses & Specialist Projects

Climate change is one of the biggest problems we are facing today, and anthropogenic greenhouse gases contribute significantly to it. Among greenhouse gasses, carbon dioxide emission is increased drastically and affecting majorly for increasing global temperature, and anything we can do to mitigate carbon dioxide emission will be helpful. A carbon dioxide hydrogenation reaction is a promising technique that can convert carbon dioxide into value-added chemicals, but the reaction rate is slow, and for that, we can use catalysts that will accelerate the reaction rate. Platinum-based nanoparticles have sparked research related to energy and environmental catalysts. Catalytic properties are depending ...

Assessing Competitive Reaction Rates In The Nitration Of 2-Methylbiphenyl, Biphenyl, And Toluene To Determine Steric Restriction In Resonance-Stabilized Planarization Of The Carbocation Intermediates, Victor A. Hanson, Tristan Wine, Kevin Bartlett, Joshua Padilla, Alessandro Rizzi

Honors Projects

Electrophilic aromatic substitution (EAS) reactions have long been a fundamental addition to sophomore-level organic chemistry classes, allowing students the opportunity to explore the electron donating and withdrawing effects of electrons contained in the substituents of the aromatic reactant. In this paper we present preliminary findings on the nitration of methylated biphenyls using kinetic and regioselective assessments to analyze steric influences on the planarization of 2-methylbiphenyl after EAS nitration. Our preliminary findings show that nitration favors the methylated phenyl ring of 2-methylbiphenyl, indicating that the steric influence of the methyl group restricts planarization of the carbocation intermediate. Furthermore, a competition nitration ...

Pressure Driven Desalination Membranes: Lyotropic Liquid Crystals Containing Single Walled Carbon, Matteo A. Del Giudice, Samantha Castillo Merigold

Materials Engineering

This project presents a potential alternative desalination technique that utilizes the ion rejection properties of single walled carbon nanotubes dispersed in a lyotropic liquid crystal (LLC) matrix. Previous research has pointed to the polymerizable surfactant methacryloxy ethyl hexadecyl dimethyl ammonium bromide (C16MA) having capabilities of filtering molecular components smaller than a nanometer, when oriented in cylindrical micelles. SWCNTs were dispersed in deionized water by probe sonication and addition of surfactant cetyltrimethylammonium bromide (CTAB) due to SWCNTs’ hydrophobic properties. Membranes were produced containing 55wt% C16MA, 37wt% DI water, 0.1wt% with respect to the monomer (WRM) SWCNTs, 1.9 wt% WRM ...

Mechanistic And Synthetic Studies Of Oxidopyrylium Cycloaddition Reactions, Lauren P. Bejcek

Dissertations, Theses, and Capstone Projects

Cycloaddition chemistry has historically served as a robust route to stereo-rich and highly functionalized cyclic and heterocyclic compounds. Herein we describe our examination of 3-hydroxy-4-pyrone-derived oxidopyrylium cycloadditions in both mechanistic considerations as well as the unique synthetic advancements of their corresponding cycloadducts. Chapter 1 is a literature review where we specifically outline the use of oxidopyrylium cycloadditions in the synthesis of natural products. This includes the mention of previous syntheses prior to 2008, and a more thorough examination of the natural products synthesized from 2008 to present. The work exploits this chemistry as a facile route to highly complex 7-membered ...

Synthetic And Biological Studies On Benzazepine Derivatives As Dopamine Receptor Ligands, Rajan Giri

Dissertations, Theses, and Capstone Projects

Dopamine (DA) receptors, members of the G-protein coupled receptors (GPCRs) family, are divided in two groups based on their transmembrane structural homology domains: D1R-like (D1R, D5R sub-types) and D2R-like DA receptors (D2R, D3R and D4R sub-types). Disturbances in dopaminergic neurotransmission are associated with several CNS disorders. Hence, DA receptor selective ligands have been sought as pharmacological agents to normalize perturbations in the dopaminergic system. Despite several notable efforts, the discovery of highly selective ligands for dopamine receptor sub-types has proved challenging due to close transmembrane structural similarity, especially between DA receptor sub-types within the same group.

The 1-phenylbenzazepine scaffold is ...

Emergent Photophysics In Diketopyrrolopyrrole Superstructures, Andrew Levine

Dissertations, Theses, and Capstone Projects

Organic semiconductors have received substantial attention as active components in optoelectronic devices because of their processability and customizable electronic properties. Tailoring the organic active layer in these devices to exhibit desirable optoelectronic properties requires understanding the complex and often subtle structure-property relationships governing their photophysical response to light. Both structural organization and frontier molecular orbitals (FMO) play pivotal roles in energy relaxation processes, and complex interplay between organization and orbital energies are difficult to anticipate based upon the molecular structure of the components alone, especially in systems comprised of multiple components. In pursuit of design rules, there is a need ...

Iron And Iodine-Mediated Reactions, Xiaochen Liu

Dissertations, Theses, and Capstone Projects

This thesis work focuses on developing facile, low-cost, and environmentally friendly reactions, specifically the iron and iodine-mediated reactions, including (1) iron-catalyzed reductive ring-opening of 3,5-disubstituted isoxazoles and isoxazolines in aged N-methyl-2-pyrrolidone (NMP*), (2) iodine-mediated C-N bond cross-coupling reactions between amides and aldehydes, and (3) ICl-mediated functionalization of β-alkoxy alkynes – synthesis of α-iodo-γ-chloro-ketones.

Chapter I provides a background introduction on previous synthesis and applications of β-enaminones and 1,3-diketones that play as synthons or ligands. Ring-openings of heterocycles, such as isoxazoles and isoxazolines have attracted great attentions. A newly developed iron-catalyzed reductive system was established upon our previous palladium-catalyzed ...

Photosensitization And Analytical Study On Reactive Oxygen Intermediates: Self-Sorting Surface Radicals And “On-Off” Sensitizer Function Mechanisms, Sarah J. Belh

Dissertations, Theses, and Capstone Projects

This thesis consists of four chapters which are detailed below. Chapter 1 is an introductory chapter, which lays out the background and purpose of the research.

Chapter 2 describes a study of the mobility of alkoxy radicals on a surface by detection of their recombination product. A novel method called symmetrical product recombination (SRP) utilizes an unsymmetrical peroxide that upon sensitized homolysis recombines to a symmetrical product [R'OOR → R'O•↑ + •OR → ROOR]. This allows for self-sorting of the radical to enhance the recombination path to a symmetrical product, which has been used to deduce surface migratory aptitude. SPR also ...

The Regiochemistry And Relative Reaction Rates Of Methylbiphenyl Isomers In Electrophilic Aromatic Substitution Reaction (Eas) Nitrations Suggest A Non-Planar Geometry For 2-Methylbiphenyl While 3- And 4-Methylbiphenyl Remain Planar, Tristan Pj Wine

Honors Projects

Electrophilic aromatic substitution (EAS) reactions have long been a fundamental addition to sophomore-level organic chemistry classes, allowing students the opportunity to explore the electron donating and withdrawing effects of electrons contained in the substituents of the aromatic reactant. In this paper we present preliminary findings on the nitration of methylated biphenyls using kinetic and regioselective assessments to analyze steric influences on the planarization of 2-methylbiphenyl after EAS nitration. Our preliminary findings show that nitration favors the methylated phenyl ring of 2-methylbiphenyl, indicating that the steric influence of the methyl group restricts planarization of the carbocation intermediate. Furthermore, a competition nitration ...

Elucidation Of Optoelectronic Properties Of Pyrrolo[3,2-B]Pyrrole Chromophores, Ryan Faddis

Symposium of Student Scholars

Ryan Faddis Abstract

Elucidation of Optoelectric Properties of Pyrrolo[3,2-b]pyrrole Chromophores

Ryan Faddis and Graham S. Collier

Department of Chemistry and Biochemistry

Kennesaw State University

Derivatives of phenyl substituted pyrrolo[3,2-b]pyrroles have shown promise of being useful organic opto-electric compounds due to their advantageous tunability through careful synthetic design. Furthermore, one pot synthesis and readily accessible commercial reactants such as, aromatic amines and aldehydes, makes these molecules more favorable than other, more complex syntheses traditionally required for optically active organic molecules. Although relatively simple synthesize, more information from experimentation is needed to understand the optical properties ...

The Reactivity Of Metal Phosphites: Oxidative Rate Analysis, Jamie Kitchens

Symposium of Student Scholars

Phosphorous compounds are involved in many of the biomolecular processes deemed fundamental for life. DNA, ATP, and phospholipids are a few of the molecules where phosphates can be found in the body. Phosphates are geochemically characterized by their low solubility and poor reactivity. This has led to the investigation of reaction mechanisms that could lead to the formation of the phosphorous compounds found in organisms. The oxidation of phosphite into phosphate could be how phosphates were introduced to life, due to phosphites being more soluble and more reactive than phosphates. We will present the synthesis and oxidation reactivity of four ...

The Chemistry Of Fermentation As It Relates To The Art Of Winemaking, Olivia Cochran

Symposium of Student Scholars

The process of fermentation can be traced back to the beginning of civilization. Countries, over time, have learned this scientific process and turned it into the backbone of their culture through the making and manufacturing of wine. While climate-change and global-warming have impacted the commercial marketability of wine, the scientific process has remained constant. This undergraduate project analyses the production, fermentation and analytical approach of producing high quality wine. Beginning from the picking of grapes, to testing the acidity through a series of titrations, winemaking is truly where science and art collide.