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Articles 331 - 360 of 474
Full-Text Articles in Chemistry
Non-Covalent Ineteractions Of Trimethylamine N-Oxide (Tmao) And Urea In Water, John Prather
Non-Covalent Ineteractions Of Trimethylamine N-Oxide (Tmao) And Urea In Water, John Prather
Honors Theses
TMAO and urea are important osmolytes. Osmolytes help maintain cell volume with their presence inside and outside cells. Urea is used by kidney cells to neutralize strong osmotic gradients caused by excretion of hypertonic waste. Although urea is for volume- maintaining purposes, it is also known to be a strong denaturant of cellular proteins. The method by which urea destabilizes folded proteins is a debated topic. There is evidence that urea binds directly to amino acid side chains to make protein folding less thermodynamically favored. It has also been suggested that urea acts indirectly to denature proteins by destabilizing the …
Development Of Methods For Determining Dry Deposition Of Mercury Using An Ion-Exchange Membrane: Relative Rates Of Mercury Dry Deposition At Sardis, Enid, And Grenada Lakes, Ruiqi Feng
Honors Theses
This research focuses on studies developing methods to measure dry deposition of mercury (Hg) using an ion-exchange (IX) membrane to capture gaseous mercury species in the air. Mercury is a toxic heavy metal that is spread globally through the atmosphere. Atmospheric Hg deposits to terrestrial and aquatic ecosystems through wet and dry deposition. While routine methods have been developed to study wet deposition of Hg, measuring dry deposition of Hg is more problematic and often overlooked. In this study, we developed an inexpensive means to deploy a polyethersulfone cation exchange membrane in the field by dangling it within a polycarbonate …
Breastfeeding: Physiological And Cultural Influences, Alison R. Cegielski
Breastfeeding: Physiological And Cultural Influences, Alison R. Cegielski
Honors Theses
Within a biological perspective, breasts are indisputably for the use of nourishment of the young. This can be seen by how mammary glands are used by every other species other than humans. Humans are the only species that also looks at breasts within a cultural perspective, and that perspective is where the debate of breastfeeding occurs. There is really no debate that if given the option to breastfeed, breastfeeding is the best choice for the development of infants due to the fact that breast milk has been adapted for the human physique. In spite of the health benefits associated with …
Effects Of Synthetic Blood Plasma On Calcium Dependent Dimerization Of Ncad12, Brent Treadway
Effects Of Synthetic Blood Plasma On Calcium Dependent Dimerization Of Ncad12, Brent Treadway
Honors Theses
Neural Cadherin (NCAD) is one of three Type 1 vertebral classical cadherins that function as the primary transmembrane component in cell-to-cell interactions at adherens junctions. Adhesive interactions mediated by this protein are calcium dependent with three calcium-binding sites between each of its five extracellular domains. NCAD is very important in many cell-to-cell interactions because of its function in development and in immune and neurological synapses. Generally, in vitro studies of calcium dependent dimerization of NCAD are conducted in a nonphysiological buffer (NaCl + HEPES: SEC buffer). In order to study dimerization in more physiologically relevant conditions, I created a synthetic …
Generation Of 2-Adamantylidenecarbene From A Phenanthrene-Based Precursor, Christine E. Wamsley
Generation Of 2-Adamantylidenecarbene From A Phenanthrene-Based Precursor, Christine E. Wamsley
Honors Theses
This thesis examines the generation of 2-adamantylidenecarbene from a phenanthrene-based precursor. A three-step synthetic procedure was used to generate the 2-adamantylidenecarbene precursor, which subsequently underwent photolysis to produce 2-adamantylidenecarbene. This product was trapped with cyclohexene. No evidence of a ring expansion to 4-homoadamantyne was observed. It was also noted that the target precursor underwent rearrangement during photolysis, leading to the formation of an isomer containing a seven-membered ring. This isomer did not photolyze. Additionally, computational studies were performed using Gaussian 09. Geometries were initially optimized and then, the single point energies of the singlet and triplet carbene states were calculated. …
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 …
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.
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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 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; …
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 …
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 …
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 …
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 …
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 …
Anchoring The Potential Energy Surfaces Of Homogenous And Heterogenous Dimers Of Formaldehyde And Thiofomaldehyde, Christina M. Holy
Anchoring The Potential Energy Surfaces Of Homogenous And Heterogenous Dimers Of Formaldehyde And Thiofomaldehyde, Christina M. Holy
Honors Theses
This work characterizes five stationary points of the formaldehyde dimer, (CH2O)2, two of which are minima, seven newly-identified stationary points of the formaldehyde/thioformaldehyde (mixed) dimer, CH2O/CH2S, four of which are minima, and five newly-identified stationary points of the thioformaldehyde dimer, (CH2S)2 , three of which are minima. Full geometry optimizations and corresponding harmonic vibrational frequencies were performed on CH2O and CH2S as well as each of the dimer configurations (Figures 3-5). The computations were carried out with second order Møller-Plesset perturbation theory (MP2), with the heavy-auc-cc-pVTZ (haTZ) basis set. Additionally, thirteen density functional theory methods were employed: B3LYP, B3LYP-D3, B3LYP-D3(BJ), …
The Origins Of An Everyday Behavior: Why Do People Share Meals?, David Lee
The Origins Of An Everyday Behavior: Why Do People Share Meals?, David Lee
Honors Theses
Humans are socially driven creatures that require constant interaction. One way humans have consistently expressed their social nature since prehistory is through sharing meals. Recent studies and literature were examined in order to investigate the roots behind why sharing meals has been the most consistent method of social output. Through careful reading and analysis, reasons behind why people share meals were traced in perspective levels. The biological and molecular aspect explains how humans evolved from prehistoric primates and their similarities associated with food consumption. Genetics and food preferences also play a role by allowing humans to taste food rather than …
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 …
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.
Energy Drinks And Caffeine: The Science Behind The Billion- Dollar Industry, Eric Villarreal
Energy Drinks And Caffeine: The Science Behind The Billion- Dollar Industry, Eric Villarreal
Honors Theses
Ask any college student how he or she gets through long study sessions, all-nighters, and the always grueling finals week and he or she will most likely reference some caffeine-containing beverage as the antidote, with energy drinks becoming an ever increasing option. The effects, both physiological and psychological, of the ingredients in energy drinks (caffeine and, to a lesser degree, glucose) dictate their usefulness to consumers. A review of the available research literature from http://scholar.google.com using the following keywords: caffeine, energy drink, Red Bull, caffeinated beverage, caffeine drink, energy drink industry, energy drink company, and glucose yielded the references that …
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-. …