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Full-Text Articles in Physical Sciences and Mathematics

Chemometric Analysis Of Multivariate Liquid Chromatography Data: Applications In Pharmacokinetics, Metabolomics, And Toxicology, Sarah Elizabeth Graham Porter Jan 2006

Chemometric Analysis Of Multivariate Liquid Chromatography Data: Applications In Pharmacokinetics, Metabolomics, And Toxicology, Sarah Elizabeth Graham Porter

Theses and Dissertations

In the first part of this work, LC-MS data were used to calculate the in-vitro intrinsic clearances (CLint) for the metabolism of p-methoxyrnethamphetamine (PMMA) and fluoxetine by the CYP2D6 enzyme using a steady-state (SS) approach and a new general enzyme (GE) screening method. For PMMA, the SS experiment resulted in a CLint of 2.7 ± 0.2 µL pmol 2D6-1min-1 and the GE experiment resulted in a CLint of 3.0 ± 0.6 µL pmol 2D6-1min-1. For fluoxetine, the SS experiment resulted in a CLint of 0.33 ± 0.17 µL pmol 2D6-1min-1 and the GE experiment resulted in a CLint of 0.188 …


Synthesis Of Novel Antimycobacterials And A Fluorescent Sensor For Simple Carbohydrates, Brian Thomas Walker Jan 2006

Synthesis Of Novel Antimycobacterials And A Fluorescent Sensor For Simple Carbohydrates, Brian Thomas Walker

Theses and Dissertations

Cell surface carbohydrates play an important role in a wide variety of biological processes such as inflammation, tumor metastasis, and viral and bacterial infection. The goal of our research has been two-fold. The first objective was the synthesis of antimycobacterial compounds. A mannose containing tetrasaccharide from the mannan core of lipoarabinomannan (LAM) of Mycobacterium tuberculosis has been synthesized using α-D-methylmannopyranoside as starting material and Koeings-Knorr reactions to couple saccharides. The synthesis was completed in nine steps and in 14% total yield. This compound should be useful in competitive inhibition studies with macrophages or as an immunological marker. We have successfully …


Enhancing The Third-Order Nonlinear Optical Properties Of Porphyrins And Molecular Wires, Jonathan L. Humphrey Jan 2006

Enhancing The Third-Order Nonlinear Optical Properties Of Porphyrins And Molecular Wires, Jonathan L. Humphrey

Theses and Dissertations

The third-order nonlinear optical (NLO) properties of indium tin oxide (ITO) thin films, Fe3+, Mn3+, Co2+ 5,10,15,20-tetrakis-4hydroxytetraphenyl)porphyrin (TPP) films, and a series of ethynyl-linked azobenzene oligomers were investigated using degenerate four wave mixing (DFWM) with 100 fs laser pulses. To measure the NLO of ITO thin films, A DFWM method for measuring thin films on thick substrates was refined for the characterization of films less than 100 nm thick and applied to ITO films ~25 nm thick. It was found that the third-order nonlinear susceptibility of ITO, χ(3)ITO, is purely electronic at 900 - 1300 nm (11000 - 7700 cm-1) …


Photochemical Applications To The Study Of Complexity Phospholipid Bilayer Environments, Christopher John Wohl Jr. Jan 2006

Photochemical Applications To The Study Of Complexity Phospholipid Bilayer Environments, Christopher John Wohl Jr.

Theses and Dissertations

The physical and biophysical properties of a biological membrane model, phosphatidylcholine bilayers, were investigated using novel spiropyran/merocyanine molecular probes. The femtosecond to second dynamics of this system's photochemistry enabled bilayer viscosity and free volume to be studied over a broad time scale. Spiropyrans/merocyanines with different polarity were synthesized by changing the substitution of the indole moiety enabling determination of the trans-membrane properties of the bilayer. In addition, transient grating spectroscopy was used to study thermal energy transfer in phospholipid bilayers on a picosecond time scale.Femtosecond transient absorption spectroscopy was used to study the photo-induced spiropyran ring-opening and isomerization reactions that …


Quantitative Model For The Prediction Of Hydrodynamic Size Of Nonionic Reverse Micelles, Melissa A. Michaels Jan 2006

Quantitative Model For The Prediction Of Hydrodynamic Size Of Nonionic Reverse Micelles, Melissa A. Michaels

Theses and Dissertations

The sizes of nonionic reverse micelles were investigated as a function of the molecular structure of the surfactant, the type of oil, the total concentration of surfactant [NP], the ratio of NP4 to total surfactant (r), the water to surfactant molar ratio (ω), temperature, salt concentration, and polar phase. The basis of our investigation was nonylphenol polyethoxylates - NP4 and NP7. Micelle sizes were determined using dynamic light scattering (DLS). A central composite experimental design was used to quantitatively model reverse micelle size as a function of ω, [NP], and r. The model has demonstrated the capability of predicting the …


A Prelude To A Third Dimension Of The Periodic Table: Superatoms Of Aluminum Iodide Clusters, Naiche Owen Jones Jan 2006

A Prelude To A Third Dimension Of The Periodic Table: Superatoms Of Aluminum Iodide Clusters, Naiche Owen Jones

Theses and Dissertations

Calculations have been carried out to investigate the stability and electronic structure of aluminum iodide clusters using first principles gradient-corrected density functional theory. Analysis of A113Ix-, A114Ix-, and A17I- clusters reveals that their stability is governed by the geometrically unperturbed A113-, A1142+, and A17+ units, respectively, that are demonstrated to constitute the compact cores of the clusters upon significant iodine content. The compact, icosahedral A113, icosahedral-like A1 14, and capped square bi-pyramid A17 superatom structures of the stable aluminum cores have an analogous electronic configuration to that of halogen, alkaline-earth, and alkaline atoms, respectively. Novel chemistry is demonstrated in superatoms, …