Chemistry Commons^™

17. Psychology, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

19. Zoology, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

Spectral Data For "Probing The Human Estrogen Receptor-Alpha Binding Requirements For Phenolic Mono- And Do-Hydroxyl Compounds: A Combined Synthesis, Binding And Docking Study", Christopher Mccullough, Terrence S. Neumann, Jayapal Reddy Gone, Zhengjie He, Julie Lukesh, Rajesh K. Pandey, William A. Donaldson, Daniel S. Sem

Natural Products Synthesis via Organoiron Methodology

Spectral data used in the course of researching "Probing the human estrogen receptor-alpha binding requirements for phenolic mono- and do-hydroxyl compounds: A combined synthesis, binding and docking study".

Various estrogen analogs were synthesized and tested for binding to human ERα using a fluorescence polarization displacement assay. Binding affinity and orientation were also predicted using docking calculations. Docking was able to accurately predict relative binding affinity and orientation for estradiol, but only if a tightly bound water molecule bridging Arg394/Glu353 is present. Di-hydroxyl compounds sometimes bind in two orientations, which are flipped in terms of relative positioning of their hydroxyl groups. …

Determination Of Optical Properties Of Secondary Organic Aerosols Using Uv-Vis Spectroscopy, Vanessa Selimovic, Matthew E. Wise, John Shilling

CUP Undergraduate Research

• Aerosols interact differently with the atmosphere depending on:
• Composition
• Size
• Phase
• Reactivity
• Optical Properties
• Reactivity with atmosphere determines impact on Earth’s radiative budget

[excerpt]

Steered Molecular Dynamics - Stretching Dna And Gna, Emma Sleeman

CUP Undergraduate Research

No abstract provided.

The Aging Effect On Optical And Chemical Properties On Collected Soa, Ryan Caylor

CUP Undergraduate Research

The enhanced greenhouse effect can be considered one the greatest global environmental concerns. The amount of radiation absorbed by greenhouse gases is known to high certainty, absorbance from atmospheric aerosols particles is not. Experiments were aimed at the study of the chemical composition of secondary organic aerosols (SOA). The SOA were created in a temperature controlled chamber at Pacific Northwest National Laboratory (PNNL) and collected on filters. The SOA were then analyzed for chemical composition using Fourier Transform Spectroscopy (FTIR). Analysis of the FTIR showed that certain peaks were degrading over time while others had increased. Peaks at >2350 cm-1 …

Water Capacity Of Tuffoam, Kristina Fuller

STAR Program Research Presentations

TufFoam is a Sandia-developed, closed cell polyurethane foam designed for insulation and impact force dispersion. Unlike similar commercially available foams, TufFoam does not require the carcinogenic compound toluene diisocyanate in the production process. Since properties of foams can change with moisture content, this study examines the capacity of TufFoam to absorb water. Samples of TufFoam were created in two different thicknesses, at three different densities, and with two different exteriors and were weighed to the microgram. Weights were tracked from ambient conditions until the disks had finished drying in ovens and then while being moistened in airtight canisters held at …

Combining Monte Carlo Transport And Level Set Surface Evolution For Modeling Vapor Phase Deposition Of Thin Films Over Sub-Micron Features, John Lewis Smith

Graduate Theses - Chemical Engineering

A hybrid scheme is used to model the vapor phase deposition of thin films at the feature scale. The transport of the chemical species to the substrate surface is modeled with a Collisionless Direct Simulation Monte Carlo (DSMC) method. The Level Set Method is used to model the growth of the thin-film on the substrate. The convergence criteria for these methods were not found in literature.

The governing equations for the Level Set Method are, in general, non-linear partial differential equations. The coupling of the DSMC Method with the Level Set Method results in a set of non-Gaussian stochastic non-linear …

Synthesis And Biological Activity Of Indolinones, Kaleb Woodrow Cox

Browse all Theses and Dissertations

Indolinones of the type known as Arylidene oxindoles have been demonstrated to possess a broad range of activity ranging from proten kinase inhibtors, cell-death inhibitors and tau protein binding agents. Small libraries of such molecules were designed and synthesized herein in modifications involving variously substituted halogen derivatives, N-alkylation of the indolinone nitrogen, and finally a new class of molecules, namely arylidene oxindoles possessing extended conjugation. The biological activities of such molecules were examined and the results disclosed herein.

A New Methodology For The Synthesis Of 2-Alkyl-5,6-Bis(Alkylthio)Benzo[D]Thiazole-4,7-Dione, Jeena Foronda

Capstone Research Projects

Cancer is a rapidly growing fatal disease and with the various thiazole compounds being scientifically generated, possible treatment options can be implemented. Proper synthesis of 2,3-dimethoxy-1,4-benzoquinone allows for a variety of compounds to be made with further treatment of alkylthio reagents. Both thioacetamide and thiobenzamide are used to react with 2,3-dimethoxy-1,4-benzoquinone in order to build a library of thiazoles. Final compounds can be tested for the ability to inhibit recombinant enzyme activity and the capability to kill tumor cells. A basic oxidation procedure along with nucleophilic attack was used to create target products.

03. Biology, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

13. Mathematics, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

16. Physics, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

Astroecology, Cosmo-Ecology, And The Future Of Life, Michael Noah Mautner

Chemistry Publications

Astroecology concerns the relations between life and space resources, and cosmo-ecology extrapolates these relations to cosmological scales. Experimental astroecology can quantify the amounts of life that can be derived from space resources. For this purpose, soluble carbon and electrolyte nutrients were measured in asteroid/meteorite materials. Microorganisms and plant cultures were observed to grow on these materials, whose fertilities are similar to productive agricultural soils. Based on measured nutrient contents, the 10²² kg carbonaceous asteroids can yield 10¹⁸ kg biomass with N and P as limiting nutrients (compared with the estimated 10¹⁵ kg biomass on Earth). These data …

Amides Are Excellent Mimics Of Phosphate Internucleoside Linkages And Are Well Tolerated In Short Interfering Rnas, Daniel Mutisya, Chelliah Selvam, Benjamin Lunstad, Pradeep S. Pallan, Amanda Haas, Devin Leake, Martin Egli, Eriks Rozners

Chemistry Faculty Scholarship

RNA interference (RNAi) has become an important tool in functional genomics and has an intriguing therapeutic potential. However, the current design of short interfering RNAs (siRNAs) is not optimal for in vivo applications. Non-ionic phosphate backbone modifications may have the potential to improve the properties of siRNAs, but are little explored in RNAi technologies. Using X-ray crystallography and RNAi activity assays, the present study demonstrates that 3'-CH2-CO-NH-5' amides are excellent replacements for phosphodiester internucleoside linkages in RNA. The crystal structure shows that amide-modified RNA forms a typical A-form duplex. The amide carbonyl group points into the major groove and assumes …

A Novel Two-Laser Interface For Coupling Capillary Electrochromatography With Ion-Trap Time-Of-Flight Mass Spectrometry, David C. Simpson, Alexander J. Yates, John H. Knox, Pat R.R. Langridge-Smith

Chemistry Publications

An interface has been developed for the hyphenation of capillary electrochromatography (CEC) with mass spectrometry (MS). Chromatographic eluate vaporization and selective analyte ionization occur within a quadrupole ion-trap, which permits significant instrument simplification when compared with the atmospheric pressure interfaces typically used for CEC-MS. Vaporization is achieved using laser desorption at 1064 nm while ionization is accomplished through UV photoionization. This two-step approach, through ionization laser wavelength selection, can provide ultratrace analysis with high selectivity. The mass spectrometer is a hybrid ion-trap time-of-flight (TOF) instrument in which the ion-trap is used in radio frequency-only mode, with DC-pulse ejection, to provide …

Direct Observation Of Metal Nanoparticles As Heterogeneous Nuclei For The Condensation Of Supersaturated Organic Vapors: Nucleation Of Size-Selected Aluminum Nanoparticles In Acetonitrile And N-Hexane Vapors, Victor Abdelsayed, M. Samy El-Shall

Chemistry Publications

This work reports the direct observation and separation of size-selected aluminum nanoparticlesacting as heterogeneous nuclei for the condensation of supersaturated vapors of both polar and nonpolar molecules. In the experiment, we study the condensation of supersaturated acetonitrile and n-hexane vapors on charged and neutral Al nanoparticles by activation of the metalnanoparticles to act as heterogeneous nuclei for the condensation of the organic vapor.Aluminum seed nanoparticles with diameters of 1 and 2 nm are capable of acting as heterogeneous nuclei for the condensation of supersaturated acetonitrile and hexane vapors. The comparison between the Kelvin and Fletcher diameters indicates that for theheterogeneous …

Effects Of Charge And Substituent On The S∙∙∙N Chalcogen Bond, U. Adhikari, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Neutral complexes containing a S···N chalcogen bond are compared with similar systems in which a positive charge has been added to the S-containing electron acceptor, using high-level ab initio calculations. The effects on both XS···N and XS+···N bonds are evaluated for a range of different substituents X = CH3, CF3, NH2, NO2, OH, Cl, and F, using NH3 as the common electron donor. The binding energy of XMeS···NH3 varies between 2.3 and 4.3 kcal/mol, with the strongest interaction occurring for X = F. The binding is strengthened by a factor of 2–10 in charged XH2S+···NH3 complexes, reaching a maximum of …

02. Animal Science, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

07. Criminal Justice, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

11. Genetics, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

18. Statistics, University Of Central Oklahoma

Oklahoma Research Day Abstracts

No abstract provided.

Applications Of Epr With An Emphasis On Tau Fibril Structure, Virginia Meyer

Electronic Theses and Dissertations

Substances containing unpaired electrons have been studied by electron paramagnetic resonance (EPR) for nearly 70 years. With continual development and enhancement of EPR techniques, questions have arisen regarding optimum method selection for a given sample based on its properties. In this work, radiation defects, natural lattice defects, solid organic radicals, radicals in solution, and spin-labeled proteins were analyzed using CW, pulse, and rapid scan EPR to compare methods. Studies of solid BDPA, E' in quartz, N_s⁰ in diamond, and a-Si:H, showed that rapid scan could overcome many obstacles presented by other techniques, cementing rapid scan as an effective …

Probing Structure For Photophysical Properties Through Synthesis Of Novel Nucleosides, Brittney Jean Rodgers

Electronic Theses and Dissertations

A brief history of nucleosides and their photophysics provides the background information for the discussion of synthesis, photophysics and incorporation of fluorescent nucleotide analogs during enzymatic DNA synthesis. Through the use of nucleoside starting material, it is possible to synthesize a number of modified nucleotides for use as fluorescent probes in biochemical research. Synthetic endeavors into the synthesis of these and related molecules from nucleobase starting materials are also presented. The synthesis of these molecules involved re-development of the synthetic routes to broaden substrate scope by overcoming the changed reactivity resulting from the presence of additional functionality.

While many highly …

Degradation Of High Voltage Glass Fiber-Reinforced Polymer Matrix Composites By Aggressive Environmental Conditions, Tianyi Lu

Electronic Theses and Dissertations

Polymer matrix composites reinforced with either E glass or ECR glass fibers-reinforced are used in a variety of high voltage electrical applications because of their advantages like lower weight and cost. However, they can be damaged by aggressive in-service conditions such as high temperature, ultraviolet radiation, moisture, ozone and corrosive environments. Different degradation mechanisms can develop in high voltage PMCs under those extreme environments, which, in turn, can affect the long term structural durability of the composites. A set of PMCs reinforced with ECR-glass and E-glass fibers embedded in four different resins has been investigated in this study. In addition, …

Thermal Degradation Comparison Of Amino Acid Salts, Alkanolamines And Diamines In Co2 Capture, Quanzhen Huang, Jesse Thompson, Levi M. Lampea, John P. Selegue, Kunlei Liu

Chemistry Faculty and Staff Scholarship

In the selection of candidates for post-combustion CO₂ absorption, solvent degradation has become a general concern due to the significant impact on operational cost and the intention to use thermal compression from high temperature stripping to minimize the overall process energy. In this research, structural analogs of amino acid salts, alkanolamines and diamines were thermally degraded in order to explore their thermal stability from a structural standpoint. Functional groups, amine orders and steric effect were investigated for their impact on amine thermal degradation. Primary amines with chain structures showed a thermal stability trend as diamine > alkanolamine > amino acid salt. …

The Synthesis Of Benzyloxy Substituted Dp-Ppv And Examination Of The Horner-Wadsworth-Emmons Reaction In The Synthesis Of Dp-Ppv, Jeremy M. Lear

Browse all Theses and Dissertations

In the interest of the synthesis of polymers that have the potential to possess inherent light-emitting properties (LEDs) the synthesis of a novel 1,4-bis(chloromethyl)-benzene monomer, 5-benzyloxy-1,4-dichloromethyl-2,3-diphenyl benzene 78 was carried out. Monomer 78 was polymerized via the Gilch polymerization method to yield, poly(5-benzyloxy-2,3-diphenyl phenylene vinylene) 80. Polymer 80 was characterized by TGA (5% weight loss at 267°, GPC (weight average molecular weight of 7136 Da, number average molecular weight of 6603 Da) , UV-Vis and fluorescence studies (absorbance maximum at 406 nm, emission maximum at 510 nm).

The Horner-Wadsworth-Emmons variant of the Wittig was applied in the synthesis of poly(2,3-diphenyl-1,4-phenylenevinylene) …

In Actu Et In Silicio: Linear And Nonlinear Photophysical Characterization Of A Novel Europium Complex, And Incorporating Computational Calculations In The Analysis Of Novel Organic Compounds, Adam Woodward

Electronic Theses and Dissertations

Despite not being a tangible substance, light is becoming an increasingly valuable tool in numerous areas of science and technology: the use of laser excitation of a fluorescent probe can generate incredibly detailed images of cellular structures without the need for large amounts of dissection; new types of solar cells are being produced using organic dyes to harvest light; computer data can be stored by inducing a chemical change in a compound through irradiation with light. However, before any of these materials can be applied in such a way, their properties must first be analyzed for them to be deemed …

Investigation Into The Cellular Actions Of Carnosine And C-Peptide, Emma H. Gardner

Theses, Dissertations and Capstones

Carnosine is a dipeptide composed of beta-alanine and histidine found exclusively in long-lived animal tissues. The cellular action of carnosine is still under extensive investigation; however, it has been proposed to have a role as an anti-oxidant and oxygen free radical scavenger, a physiological buffer, a heavy metal chelator, and has been implicated as an anti-aging agent.^2,4 Our lab has been studying the interaction between carnosine and heme by analyzing both the effect carnosine has on the glycation of the heme containing protein cytochrome c and the interaction of carnosine with free hemin. We have observed that the addition …

Competition Between Lone Pair-Π, Halogen Bond, And Hydrogen Bond In Adducts Of Water With Perhalogenated Alkenes C2clnf4-N (N = 0-4), U. Adhikari, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

A thorough search of the potential energy surface is carried out for heterodimers of water with C2ClnF4−n. Three different types of interactions are observed. Structures dominated by a lone pair–π interaction have the highest binding energies, and are stabilized by charge transfer from O lone pairs of H2O to the Csingle bondC π* antibonding orbital of the alkene. Halogen-bonded O⋯Cl complexes are slightly less strongly bound, followed by OH⋯X hydrogen bonds. The replacements of Cl by F atoms have only small effects upon binding energies. Inclusion of vibrational and entropic effects removes the clear energetic superiority of lp–π binding energies. …