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Articles 1 - 30 of 34
Full-Text Articles in Physical Sciences and Mathematics
Synthesis And Antimicrobial Activity Of Brominated Quaternary Ammonium Compounds, Wendy Pippin
Synthesis And Antimicrobial Activity Of Brominated Quaternary Ammonium Compounds, Wendy Pippin
Honors Theses
No abstract provided.
Mechanical Routes To Biocontinuous Conductive Polymer Networks For Solar Cell Applications, Erin Waterman
Mechanical Routes To Biocontinuous Conductive Polymer Networks For Solar Cell Applications, Erin Waterman
Honors Theses
We have successfully created the first example of a bicontinuous conductive polymer network for use in hybrid QD-polymer solar cells via a mechanochemical route. Heterometallic dicyanoaurate coordination polymers were used as intercalative hosts to promote in situ growth of emeraldine polyaniline (PANI), which provides electron conduction pathways within the active layer. Cu2+-excanged Laponite RD nanodiscs were used to direct the self-assembly of the bicontinuous polymer networks and nanomorphology within the nanocomposites. These PANI/Laponite coordination polymers were extensively characterized by scanning electron microscopy, attenuated total reflectance-Fourier transform infrared spectroscopy, and ultraviolet-visible absorption spectroscopy in order to probe polymer-nanoparticle and polymer-polymer interactions. …
3d Flowerlike Micro/Nanocomposite Ceria To Remove Arsenic And Chromium In Drinking Water, Taera Kim
3d Flowerlike Micro/Nanocomposite Ceria To Remove Arsenic And Chromium In Drinking Water, Taera Kim
Honors Theses
Ceria has received great attention for the removal of water contaminants due to its high oxygen storage capacity, marked oxygen ion conductivity, and tunable catalytic activity. Zhong et al. suggested that ceria (cerium oxide) microspheres with nanoscale 3D flowerlike morphology represent a promising inorganic synthetic material to remove water contaminants such as As(V) and Cr(VI) from drinking water. The 3D flowerlike micro/nanocomposite ceria offer key advantages over other nanoparticle based remediation systems as they can be easily removed via conventional microfiltration. The goals of this thesis project were to test the reproducibility of the synthesis of the 3D flowerlike ceria, …
Raft Polymerization Of Sulfonamide-Containing Methacrylamides, Michael B. Sims
Raft Polymerization Of Sulfonamide-Containing Methacrylamides, Michael B. Sims
Honors Theses
Targeted delivery of cancer therapeutics offers an exciting new opportunity for utilization of controlled polymerization techniques. However, a major obstacle in achieving the desired therapeutic effect is facilitating endosomal release of active agents following endocytosis. Peptides and pH-responsive polymers have been utilized as a means of triggering endosomal release via phase transition-induced membrane disruption. Unfortunately, the fidelity by which the pKa of these polymers/peptides can be varied is limited, such that it reduces their versatility in altering the phase transition point to best match the endosomal pH of a particular cell-type. Herein, we report the controlled polymerization of library of …
Reduction Of Ketoximes To Amines By Catalytic Transfer Hydrogenation Using Raney Nickel And 2-Propanol As Hydrogen Donor, Katherynne E. Taylor
Reduction Of Ketoximes To Amines By Catalytic Transfer Hydrogenation Using Raney Nickel And 2-Propanol As Hydrogen Donor, Katherynne E. Taylor
Honors Theses
Ketoximes successfully underwent hydrogenolysis and hydrogenation under catalytic transfer conditions with Raney Nickel and 2-propanol as a hydrogen donor. Ketoximes were reduced to primary amines when 2% KOH was included in the reaction. In the absence of KOH N-isopropyl-secondary-amines were obtained in good yields.
Synthesis And Functionalization Of Bodipy Dyes For Applications In The Detection Of Colorectal Cancer, Logan Elise Leblanc
Synthesis And Functionalization Of Bodipy Dyes For Applications In The Detection Of Colorectal Cancer, Logan Elise Leblanc
Honors Theses
No abstract provided.
Effects Of Varying The Cure Profiles Of An Epoxy-Amine System, Patrick W. Hollingsworth
Effects Of Varying The Cure Profiles Of An Epoxy-Amine System, Patrick W. Hollingsworth
Honors Theses
The cure of an epoxy prepolymer with an amine hardener induces stress in thermosetting systems. The extent of residual stresses in the cured epoxy-amine thermosets are dependent on several factors; one of which is the cure profile utilized. The effect of cure profile on cure induced stresses of an epoxy-amine thermoset was examined in the current study. A difunctional epoxide based on diglycidyl ether of bisphenol-A (DGEBA) and a tetrafunctional amine curative were used to conduct this study. Two cure profiles were selected to prepare samples of varying degrees of stress in the cured thermosets. The first was constant heating …
Nicotine And What Else?: Hplc Elution Optimization For The Analysis Of Alkaloids Found In Electronic Cigarettes, Jessica L. Murray
Nicotine And What Else?: Hplc Elution Optimization For The Analysis Of Alkaloids Found In Electronic Cigarettes, Jessica L. Murray
Honors Theses
Electronic cigarettes, or e-cigarettes, have been scrutinized by the Food and Drug Administration and other public health organizations for issues related to quality control and efficacy. Erratic nicotine delivery and numerous toxic compounds in refill solutions have been reported. The ultimate goal of this research is to add to the growing amount of knowledge regarding e-cigarette ingredient content, safety, and quality. Standards of the tobacco alkaloids nicotine, anabasine, cotinine, and myosmine were prepared and quantified using high performance liquid chromatography (HPLC). Various elution schemes were tested and adjusted for optimal analyte resolution, and a final elution scheme was developed to …
Purple Urine Bag Syndrome: Regulation Of Pyrimidine Enzymes, Ashley N. Broadway
Purple Urine Bag Syndrome: Regulation Of Pyrimidine Enzymes, Ashley N. Broadway
Honors Theses
Purple Urine Bag Syndrome, PUBS, is a unique condition that shows an interesting discoloration of the urine from women who have a chronic catheter. This study focused on the regulation of enzyme activities to determine the effects that may create an environment where PUBS is seen in patients with catheters. In this study, the reductive pyrimidine pathway was used to read out the bacteria Pseudomonas aeruginosa ATCC 15692. This microorganism expresses a pathway that synthesizes indoxyl from tryptophan. The bacteria strains were grown using various carbon and nitrogen sources. Concentrations of acetonitrile at 2 mM and 10 mM, concentrations of …
Controlling Competing Phases Of Magnetic Intermetallics And Bioceramics, Jacob D. Mcalpin
Controlling Competing Phases Of Magnetic Intermetallics And Bioceramics, Jacob D. Mcalpin
Honors Theses
No abstract provided.
Classifying The Functionality Of Primosome Protein A In Deinococcus Radiodurans, Jacob Boone
Classifying The Functionality Of Primosome Protein A In Deinococcus Radiodurans, Jacob Boone
Honors Theses
Deinococcus radiodurans is an extremophile bacterium with the capacity to withstand tremendous DNA damage that causes disruption of replisome complex activity. The efficiency of origin-independent replisome reloading directly correlates to effectiveness of DNA damage coping strategies, and remains largely undefined in D. rad primosome components. Investigation of D. rad PriA as a helicase protein was conducted to determine if PriA could be classified as a fossilized helicase. This project tested the three functions of known helicases by comparing E. coli and D. rad PriA. DNA binding, DNA unwinding, and ATP hydrolysis assays were performed on both proteins separately and results …
Synthesis And Characterization Of Three Unique Mono-Metallic Lanthanide Complexes, Jasminder S. Grewal
Synthesis And Characterization Of Three Unique Mono-Metallic Lanthanide Complexes, Jasminder S. Grewal
Honors Theses
Three unique lanthanide complexes of formula Ln(tdh)3dpp (where Ln = Eu3+, Tb3+or Nd3+; tdh = 1,1,1- trifluoro-5,5-dimethyl-2,4-hexanedione and dpp = 2,3-Bis(2-pyridyl)pyrazine) were structurally characterized. X-ray quality crystals were grown through slow evaporation in a solution of concentrated ethyl acetate and hexanes. Each of the metals are eight coordinate, with 6 oxygen atoms from the tdh ligand and two nitrogen atoms from the dpp. Specifically, the nitrogen from 1-pyridyl group and the 1-pyrazine group coordinate to the lanthanide metal. Luminescent studies were performed on all three compounds. The Eu and Tb complexes were able to emit light in the visible region …
Investigating Bacterial Replication Restart: Can D.Rad Pria Load D.Rad Dnab Onto Dna Forks With A Leading Strand Gap?, Michael Ryan
Investigating Bacterial Replication Restart: Can D.Rad Pria Load D.Rad Dnab Onto Dna Forks With A Leading Strand Gap?, Michael Ryan
Honors Theses
The bacteria Deinococcus radiodurans (D. rad) is able to survive multiple double stranded breaks to its DNA with no detriment to its health as its genome can be fully repaired in a matter of hours. During bacterial DNA replication, points of DNA damage can cause replication to cease, requiring an origin independent replisome loading pathway to resume the replication. This pathway is called replication restart , a highly conserved pathway in bacteria. In the E. coli replication restart pathway primosome proteins function by binding to the DNA fork and facilitating the loading of the DnaB helicase onto the replication fork. …
Synthesis And Purification Of A Nucleoside Platinum Complex That Promotes Dna Cross-Linking, Ryan Spear
Synthesis And Purification Of A Nucleoside Platinum Complex That Promotes Dna Cross-Linking, Ryan Spear
Honors Theses
Cancer is a deadly and ever present disease in humans and its treatment has become a focus of many types of research. This project was designed to synthesize a platinum complex that will cross-link DNA and in turn cause cell death for rapidly dividing cells (usually cancer cells). The target compound strongly resembled the structure of a nucleic acid, thymidine. Further, nucleic acids are extremely important to cell life and cell membranes have transporters specific for them. Therefore, the purpose to exploring this new platinum complex was to create compound that a cell can easily transport inside its cell and …
Synthesis And Characterization Of A Tetra-Ruthenated Naphthylbiliverdin, Ashley M. Berding
Synthesis And Characterization Of A Tetra-Ruthenated Naphthylbiliverdin, Ashley M. Berding
Honors Theses
A new naphtylbiliverdin compound has been synthesized which offers intense absorption with the photodynamic therapy window (600 nm – 850 nm). The compound has been characterized by proton NMR, high resolution electrospray mass spectrometry, elemental analysis, and UV/vis spectroscopy. Coordination of four ruthenium(II) polypyridyl complexes was accomplished by standard procedures. The new tetra-ruthenated naphthylbiliverdin was characterized by elemental analysis. Cyclic voltammetry measurements reveal that all four ruthenium moieties are coordinated to the pyridyl groups of the biliverdin compound. The intense metal to ligand charge transfer (MLCT) bands of the peripheral ruthenium groups overshadow the absorption due to the biliverdin compound; …
Design And Characterization Of Photoresponsive Supramolecular Aggregates, Julie A. Fitz
Design And Characterization Of Photoresponsive Supramolecular Aggregates, Julie A. Fitz
Honors Theses
Supramolecular chemistry concerns the manner in which molecular building blocks associate via non-covalent interactions and form aggregates. The particular building block in this research is a photoresponsive molecule 4,4’-azobenzene dicarboxylic acid (ADA), a molecule that isomerizes reversibly around an N-N double bond upon irradiation with different wavelengths of light. The large structural changes in the molecule that result from isomerization have the potential to modulate the properties of a supramolecular aggregate. ADA was studied under a variety of environmental conditions for the purpose of understanding aggregation behavior and geometries. A UV-Vis and Circular Dichroism (CD) spectroscopic study of ADA showed …
Photoreactions Of A Water Soluble Poly-Isoquinolpyrrole With Plasmid Dna, Gregory Versteeg
Photoreactions Of A Water Soluble Poly-Isoquinolpyrrole With Plasmid Dna, Gregory Versteeg
Honors Theses
With the goal of creating a porphyrin we reacted isoquinol pyrrole, p-fluorobenzaldehyde, and boron trifluoride etherate under appropriate conditions. Instead of a porphyrin being synthesized, we created polyisoquinol pyrrole in high yield and with great absorption properties around 600nm. We characterized this compound via UV/vis spectroscopy, proton NMR, and electrochemistry. The compound was then reacted with [Ru(bipy)2Cl2] to create a cationic compound and this molecule was tested as a possible photosensitizer for photodynamic therapy (PDT) but it was unable to photocleave plasmid DNA above 550nm. The original compound was then methylated and this new compound was also tested as a …
Functional Variants Of Metal-Binding Domains 5 And 6 Of The Human Wilson Protein, Sandra Weitzner
Functional Variants Of Metal-Binding Domains 5 And 6 Of The Human Wilson Protein, Sandra Weitzner
Honors Theses
Wilson's disease is caused by mutations in atp7b, a gene that encodes a copper-transporting P1B-type ATPase, otherwise known as the Wilson protein. Over 300 different mutations cause Wilson's disease, and we focused on missense mutations occurring in the 650 amino acid N-terminus of the Wilson protein. This portion of the protein includes six metal-binding domains that function to azquire Cu(I) from the cytosol, prior to passing it through the ATP-driven membrane-spanning pump. Of particular interest are metal-binding domains 5 and 6 (WLN5-6) since we know that they are absolutely required for function of the enzyme. Several missense mutations …
Evaluating The Efficacy Of Small Basis Sets And The Counterpoise Procedure To Reproduce Complete Basis Set Limit Higher-Order Correlation Corrections For Weakly Bound Molecular Clusters, Cara M. Thorne
Honors Theses
The efficacy of small basis sets and the counterpoise procedure to accurately reproduce higher-order correlation corrections, which are routinely employed to estimate CCSD(T) interaction energies at the complete basis set (CBS) limit using an additive scheme, was examined through the study of four dispersion-dominated dimer systems. The dimers of acetylene (HCCH), cyanogen (NCCN), diphosphorous (P2) and 1,4-diphosphabutadiyne (PCCP) were studied in three different configurations: cross, parallel-displaced and t-shaped at the intermolecular distance corresponding to the minimum point on the CCSD(T) potential energy curve (PEC) for each system using MP2, CCSD and CCSD(T) methods in conjunction with eight basis sets from …
An Investigation Into Polyiodination Of Activated Benzene Derivatives With Electrophilic Aromatic Substitution Reactions, Dakota Gilbert
An Investigation Into Polyiodination Of Activated Benzene Derivatives With Electrophilic Aromatic Substitution Reactions, Dakota Gilbert
Honors Theses
The aim of this research is to investigate the periodination of benzene derivatives that are activated towards electrophilic aromatic substitution. In this research, a successful electrophilic aromatic substitution reaction was completed with procedures that used iodine with silver sulfate as an activating agent in the reaction mixture. The ball-milling technique with N-iodosuccinnimide as the iodinating reagent was also explored. Only one iodine was added onto 4-iodoanisole as the activated benzene derivative. When 2,4-dichloroanisole was the substrate, a small amount of diiodo product accompanied the monoiodo product, but no triiodo (periodinated) product was observed. Nonetheless, the trials of this research give …
Non-Covalent Interactions, Dative Bonding, And Electron Affinities: A Multi-Method Computational Study Of Boron Tetrahalides, Lance R. Ezell
Non-Covalent Interactions, Dative Bonding, And Electron Affinities: A Multi-Method Computational Study Of Boron Tetrahalides, Lance R. Ezell
Honors Theses
This study focuses on boron tetrahalides of the form BFXClY, where X + Y = 4, using the B3LYP, M06-2X, and MP2 methods with the aug-cc-pVTZ basis set. The various neutral and anionic species were constructed and optimized using the Gaussian 09 software package, and the equilibrium geometries, harmonic vibrational frequencies, and energetics (specifically the electron affinity, vertical attachment and detachment energies, and stability with respect to dissociation) of each system are presented. The anionic species, due to their closed-shell electron configurations, have relatively high symmetry: Td for BF4- and BCl4-, C3v for BF3Cl- and BFCl3-, and C2v for BF2Cl2-. …
The Effects Of Coal Mining On Health In Appalachia : Global Context And Social Justice Implications, Adrienne Schmidt
The Effects Of Coal Mining On Health In Appalachia : Global Context And Social Justice Implications, Adrienne Schmidt
Honors Theses
The purpose of this report is to investigate the environmental and health effects of coal mining in the Appalachian region of the United States in the context of global natural resource extraction, explore existing regulation for the reduction of negative environmental health effects of mining in Appalachia, and explore the social justice implications of current mining practices. The research for this report was limited to literature published in English. It was found that there are widespread negative health effects of mining in Appalachia due to environmental toxins, a toxic social environment of limited economic opportunity, and occupational health hazards. The …
Domain-Specific Probes For Calcium Binding To Neural Cadherin, Charles Ryan Humphries
Domain-Specific Probes For Calcium Binding To Neural Cadherin, Charles Ryan Humphries
Honors Theses
Cadherin is a major mediator of cell adhesion whose adhesive function is dependent upon calcium binding. However, the binding of calcium is not completely understood. The binding of calcium can be monitored using an abbreviated construct that contains only the first two extracellular domains (EC12) which includes two tryptophan residues, W2 and W113. Single tryptophan mutants were created which contain only W113 (W2A) and W2 (W113F). Fluorescence spectra were obtained of W2A, W113F, and WT in the presence and absence of calcium. Calcium titration data were collected for each protein. In both experiments, calcium binding increased the fluorescence signal of …
Identification Of A Phytotoxic Fungus And An Investigation Into The Isolation Of Its Phytotoxic Constituents, William E. Briscoe
Identification Of A Phytotoxic Fungus And An Investigation Into The Isolation Of Its Phytotoxic Constituents, William E. Briscoe
Honors Theses
A fungus was isolated from Hedera helix (English ivy) leaves experiencing necrosis and identified as Diaporthe eres by molecular techniques. The fungus was grown in potato dextrose broth medium and the culture medium was extracted with ethyl acetate. Bioassay guided fractionation of ethyl acetate extract of culture filtrate of this fungus led to the isolation of two phytotoxic compounds that are active against the seed germination of the monocotyledon Agrostis stolonifera at 1 mg mL-1. Structures of these active compounds were determined by spectroscopic methods and were determined 8-hydroxy-3.7-dimethylisochroman-1-one and 2-(4-hydroxyphenyl)-ethanol. This is the first finding presented on the phytotoxic …
Influence Of The Sea Surface Microlayer On Ozone Deposition Velocity, Kathryn Moore
Influence Of The Sea Surface Microlayer On Ozone Deposition Velocity, Kathryn Moore
Honors Theses
The biogeochemical cycles of both iodine and ozone are strongly linked to human health and global climate and are tightly coupled through chemical processes occurring in the surface ocean and troposphere. The concentration and distribution of these compounds have the potential to drive the oxidizing capacity and suite of chemical reactions occurring in the marine boundary layer. However, modeling coupled ocean-atmosphere systems involving them is challenging because of a limited understanding of the magnitude and dominant mechanisms controlling the fluxes of both species, in addition to temporally and spatially heterogeneous distributions of ozone and iodine in the sea surface and …
Synthesis And Characterization Of A New Bimetallic Catalyst, Gjl-46, And Its Use In The Catalytic Hydrosilylation Of Phenylacetylene, Gabriel J. Labonia
Synthesis And Characterization Of A New Bimetallic Catalyst, Gjl-46, And Its Use In The Catalytic Hydrosilylation Of Phenylacetylene, Gabriel J. Labonia
Honors Theses
A new bimetallic catalyst was synthesized from the metalation of 1,1'-(1,3-phenylene) bis(4-butyl-1 H-1,2,4-triazol-4-ium) iodide with silver oxide and the transmetalation of that complex with Rh(COD)2OTf. The structure of the compound, GJL-46, with molecular formula C34H46I2N6Rh2, was confirmed with mass spectra analysis, 1H NMR and 13C NMR. The catalytic activity of the produced molecule, GJL-46, with molecular formula C34H46I2N6Rh2, in the hydrosilylation of phenylacetylene is reported.
On Harmonic Vibrational Frequency Convergence To The Complete Basis Set Limit In Water Dimers And Hydrogen Fluoride Dimers, Amanda Hardwick
On Harmonic Vibrational Frequency Convergence To The Complete Basis Set Limit In Water Dimers And Hydrogen Fluoride Dimers, Amanda Hardwick
Honors Theses
This work focuses on the convergence of harmonic vibrational frequencies in the water dimer (H2O)2 and the hydrogen fluoride dimer (HF)2 to the complete basis set (CBS) limit. It also evaluates the effect of counterpoise (CP) correction procedures and the effect of sequentially removing diffuse functions from specific basis sets on the harmonic vibrational frequencies of these dimers. Computations were run using second-order Møller-Plesset perturbation theory (MP2) with large, flexible correlation consistent basis sets. This research aims to determine if removing diffuse functions can increase the speed of harmonic vibrational frequency computations without sacrificing accuracy. Results indicate that CP-correction procedures …
Investigation Into The Synthesis Of Dodecahydro-3a,9a-Diazaperylene, Andrew Palmer
Investigation Into The Synthesis Of Dodecahydro-3a,9a-Diazaperylene, Andrew Palmer
Honors Theses
Dodecahydro-3a,9a-diazaperylene (DHDAP) may serve as a potential donor for use in a donor-sigma-acceptor complex for unimolecular rectification. In order to use DHDAP as a donor, its synthesis must first be studied and altered in such manners as to add a synthetic handle. Other things of important include increasing the yield and better understanding the mechanism by which DHDAP forms. Numerous experiments were conducted in various manners such as testing various solvents among various temperatures to even adding in extra reagents to push the reaction one way or another. In the end the yield of the synthesis was found to improve …
Raman Spectroscopic And Computational Analysis Of The Effects Of Noncovalent Interactions On Dmso, Ashton T. Nicholson
Raman Spectroscopic And Computational Analysis Of The Effects Of Noncovalent Interactions On Dmso, Ashton T. Nicholson
Honors Theses
Dimethyl sulfoxide (DMSO) is a widely used chemical in synthetic chemistry and also has unique and important biological applications. In the pure liquid, DMSO forms chain like structures of alternating sulfur and oxygen atoms due to its high self-association. However, it is known that DMSO/water mixtures form solutions with unique physical characteristics depending on the mole ratio. For instance, at a 1:2 ratio of DMSO/water a eutectic mixture forms with a freezing point of-70 C. Vibrational spectroscopy allows us to study the effects of noncovalent interactions when water and DMSO interact in solution. Spectral shifts can be analyzed in order …
Synthesis Of An Unsymmetrical Ccc-Nhc Pincer Ligand Precursor, Brian Spurlock
Synthesis Of An Unsymmetrical Ccc-Nhc Pincer Ligand Precursor, Brian Spurlock
Honors Theses
The purpose of this study was to synthesize a 3-butyl-1-(3-(3-butyl-1H-imidazol-3-ium-1-yl)phenyl)-4,5-dichloro-1H-imidazol-3-ium salt using an Ullmann-type copper coupling reaction. This salt would subsequently be metallated and evaluated for C-H bond activation and luminescence. However, NMR and MS spectra did not show evidence of conversion to the desired product under standard conditions so a model reaction was designed making use of recent findings concerning the Ullmann-type coupling of imidazoles to aryl halides. Specifically, an activated aryl halide with a larger leaving group was used with a more soluble base and a ligand for the copper. The desired product appears by ESI-MS to have …