Browsing by Thesis Department "Chemistry (UMKC)"
Now showing items 1-20 of 127
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Ab initio computational applications of electronic structure and spectroscopic Properties of bulk Crystalline materials
(2013)Boron-rich compounds and elemental boron have amazing chemical, physical and mechanical properties, but puzzling structures. The uncertain stoichiometric value of foreign elements in boron-rich compounds greatly influences ... -
Ab Initio Density Functional Theory Charge Distributions of Vinyltrimethylphosphonium, Vinylphosphorinium, and Vinyldiphosphonium Tetrafluoroborate Salts with Mechanistic Studies of Phospha-Michael Additions to Activated Acetylenes
(2022)While vinylammonium and vinylpyridinium tetrafluoroborate salts have previously been well investigated by the Buszek research group in their applications to Diels-Alder and other reactions, very little is known about their ... -
Ab Initio Density Functional Theory Optimized Geometries of Vinyl Trialkylammonium, Vinylpyridinium and Vinyldiazonium Tetrafluoroborate Salts with Natural Bond Orbital Charge Distributions in the Gas Phase
(2022)N-Vinyltrialkylammonium and N-vinylimmonium tetrafluoroborate salts are novel classes of compounds discovered by Buszek and Jung. They were originally used as dienophiles and as ß-dialkylamino equivalents in Diels-Alder ... -
Ab Initio Study of Amorphous Zeolitic Imidazolate Framework (A-ZIF) and Pyrophosphate crystals
(2020)Zeolitic imidazolate frameworks (ZIFs) are a rapidly emerging class of versatile porous material with many potential applications. Here, we report the construction of an amorphous ZIF (a-ZIF) model from a near-perfect ... -
Aminoxyl Catalyzed Electrochemical Ethanol Detection: Development of a New Breathalyzer Using Molecular Catalysis
(2021)Blood alcohol concentration (BAC) is the indicator of alcohol intoxication, and its measurement has emerged as the most common analytical procedure requested by law enforcement. Due to its volatility, ethanol vapor can be ... -
Amorphous hydrogenated boron carbide for solid-state direct-conversion thermal neutron detection
(2021)Amorphous hydrogenated boron carbide (a-BC:H) is one of a very limited number of neutron-sensitive materials. It has been studied over the last three decades for solid-state thermal neutron detection due to its high ... -
Asymmetric Positron Annihilation in Chiral Tartrate and Tartaric Acid Crystals
(University of Missouri–Kansas City, 2015)Positron annihilation lifetime spectroscopy (PALS) has been used to study the interactions of positrons with chiral tartaric acids and tartrates. Differences in lifetimes of and its intensity I2 were compared between large ... -
Biogeochemistry and inorganic geochemistry as indicators of the paleoenvironment and paleohydrology of the Al-Azraq Basin, Jordan
(2013)This study investigates the biogeochemical and inorganic geochemical indicators for past environments and paleohydrology of a high resolution sediment record from the Al-Azraq Basin, Jordan. The second largest basin in ... -
The Bulk and Interfacial Electronic and Chemical Structure of Amorphous Hydrogenated Boron Carbide
(2013)The chemical and electronic structure, as related to the surface, interface and bulk of amorphous hydrogenated boron carbide (a-BxC:Hy), is of interest in neutron detection and microelectronics. This dissertation investigates ... -
Case series: Pertussis in a rural community
(University of Missouri--Kansas City, 4/10/2012)Pertussis is an infectious disease preventable by vaccination. Five known individuals contracted the disease in 2005. These individuals were from a rural community, and a case series was conducted to find common ... -
Cell wall metabolite levels as a function of the growth phase in Staphylococcus aureus and library screening for synergistic combinations of FDA approved drugs against methicillin resistant S. aureus
(2022)Liquid chromatography-tandem mass spectrometry (LC-MS/MS) based methods for quantifying cell wall biosynthesis intermediates. These include LC-MS/MS methods for quantifying cytoplasmic UDP-linked peptidoglycan biosynthesis ... -
Chemical and biochemical applications of vibrational spectroscopy
(2022)Vibrational spectroscopy is a technique that probes a molecule’s vibrational modes via infrared absorption and Raman scattering, and is often used as a tool for characterization and/or functional group determination. Because ... -
Chemical Surface Modification of Polycarbonate to Increase Hydrophilicity
(2023)Polycarbonate, commonly used in glasses lenses, is prone to fogging. Fogging can be reduced by modifying the structure of polycarbonate to be more hydrophilic, ideally superhydrophilic with a contact angle less than 10°. ... -
Chirality directed self-assembly: in situ construction of recyclable and reusable Janus dendrimers
(2021)The underlying theme at the forefront of synthetic organic chemistry has always been about compounding simple precursors into more complex molecular targets. However, this strenuous process often involves the generation ... -
Clear, Aqueous Topical Nanomicelle Formulation For Diabetic Macula Edema
(University of Missouri -- Kansas City, 2018)The objective of this study was to develop a clear aqueous mixed nanomicellar formulation (NMF) of hydrophobic drugs for diabetic macula edema. The hydrophobic drugs include triamcinolone acetonide (TA), fluocinolonce ... -
Conformational and Structural Determinations of Substituted Four and Five Membered Rings by Infrared, Raman, and Microwave Spectral Studies
(2014)Studies of the structure and conformational stabilities of molecules have become increasingly important due in part to advances in the fields of biochemistry and nanochemistry. Specifically the conformation of organoamines ... -
Conformational and Structural Investigation of Substituted Hydrocarbons and Ring Compounds by Vibrational and Microwave Spectroscopy
(2016)The physiochemical properties of a molecule of interest are usually obtained from its molecular structure, and it involves the orientation of one part of the molecule about a particular bond with respect to the rest ... -
Conformational Behavior and Structural Parameters of Some Cyclic and Chain Molecules
(University of Missouri--Kansas City, 2017)The physicochemical properties of a molecule derive from its molecular structure, and that structure often involves the orientation of one part of the molecule about a particular bond with respect to the rest of the ... -
Conformational stability of some silanes and amines from temperature dependent Infrared spectra of rare as solutions, r₀ structural parameters, ab initio calculations, and vibrational assignments
(University of Missouri--Kansas City, 2012-06-12)The infrared (3600-40 cm-1) and Raman (3600-20 cm-1) spectra of numerous molecules containing silanes or amines have been recorded in the gas, liquid and solid phases. Additionally, variable temperature studies of the ... -
Deciphering of packing signal hypothesis in bacterophage RNA recognition by the MS2 capsid protein in virus assembly
(University of Missouri -- Kansas City, 2018)MS2 is a classical example of a single-stranded RNA virus for which the genomic RNA plays pivotal roles in the virus assembly process. Multiple dispersed RNA se quence/structure motifs, packaging signals (PSs) varying ...