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Articles 1 - 14 of 14
Full-Text Articles in Physical Sciences and Mathematics
Preparation And Detailed X-Ray Photoelectron Spectroscopy And Spectroscopic Ellipsometryanalysis Of Ultrathin Protective Coatings, Brian Ivins Johnson
Preparation And Detailed X-Ray Photoelectron Spectroscopy And Spectroscopic Ellipsometryanalysis Of Ultrathin Protective Coatings, Brian Ivins Johnson
Theses and Dissertations
Ultra-thin films (UTFs) are important in many applications, seen in the semiconductor industry, in chromatography, in sensing, in microfluidics, in aerospace, and in robotics. They also protect materials from corrosion, change surface energies, limit water intrusion into materials, allow material self-cleaning and self-healing, provide scratch resistance, and impart other specific chemical properties. In many cases, UTFs drastically alter surface properties and therefore their applications. It is imperative that proper and consistent characterization be performed on coatings to confirm and understand their desired properties. In Chapter two, Al oxidation under MgF2 protective layers is studied using real time X-ray photoelectron spectroscopy …
Preparation, Functionalization, And/Or Characterization By X-Ray Photoelectron Spectroscopy Of Carbon Surfaces For Biosensors And Other Materials, Varun Jain
Theses and Dissertations
My dissertation is primarily divided into two parts. The first deals with the preparation, functionalization, and characterization of carbon surfaces prepared by direct current magnetron sputtering (DCMS) and high power impulse magnetron sputtering (HiPIMS) as substrates for bioarrays. Part two discusses applications of XPS peak fitting in surface chemical analysis. Chapter 1, the introduction, includes (i) a discussion of the construction of bioarrays and the preparation of sputtered surfaces, e.g., by DCMS and HiPIMS, and also functionalization (bioconjugate) chemistry with special emphasis on the importance of covalent functionalization of surfaces, and (ii) a discussion of the surface characterization techniques and …
Computational Studies Of High-Oxidation State Main-Group Metal Hydrocarbon C-H Functionalization, Clinton R. King
Computational Studies Of High-Oxidation State Main-Group Metal Hydrocarbon C-H Functionalization, Clinton R. King
Theses and Dissertations
High-oxidation state main-group metal complexes are potential alternatives to transition metals for electrophilic C-H functionalization reactions. However, there is little known about how selection of the p-block, main-group metal and ligand impact C-H activation and functionalization thermodynamics and reactivity. Chapter 2 reports density functional theory (DFT) calculations used to determine qualitative and quantitative features of C-H activation and metal-methyl functionalization energy landscapes for reaction between high-oxidation state d10s0 InIII, TlIII, SnIV, and PbIV carboxylate complexes with methane. While the main-group metal influences the C-H activation barrier height in a periodic manner, the carboxylate ligand has a much larger quantitative impact …
The Investigation Of Secondary Particle Formation Initiated By Non-Prototypical Sources And The Role Of Amines In The Atmosphere, Emily Burrell
The Investigation Of Secondary Particle Formation Initiated By Non-Prototypical Sources And The Role Of Amines In The Atmosphere, Emily Burrell
Theses and Dissertations
This dissertation is a collection of works that investigate non-prototypical sources leading to new particle formation in the atmosphere. Particles play a major role in atmospheric chemistry. For example, particles are a component of smog and are commonly found in high concentrations under conditions of atmospheric inversions. In order to reconcile the difference between measured and modeled particle concentrations new mechanisms from non-prototypical sources for particle formation need to be determined. Formation of particles has frequently been modeled using classical nucleation theory (CNT). The first step in CNT is the nucleation step where molecular clusters form. In a second step, …
Rational Design Of Multifunctional Enzyme-Like Catalysts For Assembly-Line Chemical Synthesis, David Michaelis
Rational Design Of Multifunctional Enzyme-Like Catalysts For Assembly-Line Chemical Synthesis, David Michaelis
Journal of Undergraduate Research
The main objectives of this proposal was to publish our preliminary findings in peptide catalysis and then submit applications for external funding. Both of these objectives were accomplished during the grant period. In the Fall of 2017, we published our first paper on the development of our new enzyme-like catalysts (ACS Catal. 2017, 7, 7704–7708). This publication should serve as a springboard for additional publications in the area (on which we are currently working) and help ensure external funding for this project. During 2017-2018, we submitted 3 grant applications to the NIH to help support this project. These submissions have …
The Development Of Individualized Anemia Treatments Using Point Of Care Diagnostics To Distinguish Anemia Caused By Infection Or Chronic Inflammation, Dr. Richard Watt
The Development Of Individualized Anemia Treatments Using Point Of Care Diagnostics To Distinguish Anemia Caused By Infection Or Chronic Inflammation, Dr. Richard Watt
Journal of Undergraduate Research
Background: Anemia that accompanies inflammation is associated with negative outcomes for patients. Early intervention to treat anemia is an important step in improving the quality of life for anemic patients. Our lab proposed to develop simple diagnostic tests using a Lateral Flow Immunoassays (LFIs) to measure the presence of a hormone called hepcidin because hepcidin is the master regulator of iron homeostasis in the body and elevated hepcidin levels lead to anemia.
Modeling Main Group Metal Alkane Functionalization Reactions In Highly Acidic Carboxylic And Sulfuric Acid Solvents, Lily H. Carlson, Daniel H. Ess
Modeling Main Group Metal Alkane Functionalization Reactions In Highly Acidic Carboxylic And Sulfuric Acid Solvents, Lily H. Carlson, Daniel H. Ess
Journal of Undergraduate Research
Our group is interested in identifying the unknown mechanisms of main-group C-H functionalization reactions. In the long term, our goal is to use computational chemistry tools to develop general principles on mechanisms, intermediates, reactivity, and selectivity for hydrocarbon C-H functionalization reactions by p-block main-group compounds as well as provide prediction of new catalysts and reactions. However, in providing these predictions, it remains unclear if different mechanistic pathways and intermediates will be predicted if examined in a complete solvent sphere (see Figure 1 for technical details). This is especially important for non-aqueous solvents such as carboxylic acids and sulfuric acid. To …
Heterodinuclear Co-Zr Compound Shows Increased Reactivity In Kumada Coupling, James Coombs, Daniel Ess
Heterodinuclear Co-Zr Compound Shows Increased Reactivity In Kumada Coupling, James Coombs, Daniel Ess
Journal of Undergraduate Research
Heterodinuclear compounds containing a metal–metal bond represent a potentially useful subclass of catalyst in organic synthesis. Heterodinuclear compounds offer the possibility of increased reactivity due to interactions between metal centers (Scheme 1A). These so-called cooperative effects can enhance reactivity by changing the electronic density, increasing nucleophilicity/electrophilicity of the reactive metal, and by lowering the energy barriers for changes in oxidation state. These changes in reactivity can allow a heterodinuclear compound to be an effective catalyst for many chemical reactions that would be unfeasible with a mononuclear analogue.
Cyclic Peptide Catalyst Design, Millicent Campbell, David Michaelis
Cyclic Peptide Catalyst Design, Millicent Campbell, David Michaelis
Journal of Undergraduate Research
Enzymes found in nature are more efficient catalysts than those used in organic chemistry labs. However, natural enzymes are not ideal for organic synthesis because they only make one product and only work in specific conditions. The Michaelis lab designed a catalyst capable of mimicking enzyme-like reactivity in the lab. This catalyst consists of an alpha helix with an imidazolidinone catalyst and a thiourea catalyst (see figure 1). The imidazolidinone catalyst and thiourea catalysts are attached adjacent to each other on the alpha helix, which acts as a rigid scaffold that can mimic the proximity effects seen in natural enzymes. …
Computational Design And Analysis Of Molecular Ethylene Oligomerization Catalysts, Doo Hyun Kwon
Computational Design And Analysis Of Molecular Ethylene Oligomerization Catalysts, Doo Hyun Kwon
Theses and Dissertations
Linear alpha olefins (LAOs) are key petrochemical precursors for the synthesis of larger polymers, detergents, plasticizers, and lubricants. Most catalytic ethylene oligomerization processes generate a wide distribution of LAO carbon chain lengths. A major ongoing industrial challenge is to develop homogeneous catalysts that result in selective and tunable ethylene oligomerization to 1-hexene and 1-octene alkenes. Quantum mechanical calculations coupled with rapidly advancing technology have enabled the ability to calculate small molecule systems with high accuracy. Employing computational models to advance from empirical to quantitative prediction of product selectivities has become an active area of exploration. In this work, we demonstrate …
Multi-Instrument Surface Characterization Of Display Glass, Cody Vic Cushman
Multi-Instrument Surface Characterization Of Display Glass, Cody Vic Cushman
Theses and Dissertations
Flat panel displays (FPDs) are microfabricated devices that are often fabricated on specialized glass substrates known as display glass. The surface chemistry of the outer few nanometers of display glass can have an important influence on FPD performance and yield. Dsiplay glass surface characterization is difficult because (i) display glass surface composition varies significantly from its bulk composition; (ii) high-surface area forms of glass, such as fibers and powders, may not have the same surface composition as melt-formed planar surfaces, and (iii) the surface composition of display glass may be altered through exposure to chemical treatments commonly used during flat …
The Investigation Of Nickel-Based Catalysts For The Oxidative Dehydrogenation Of Ethane, Justin Lane Park
The Investigation Of Nickel-Based Catalysts For The Oxidative Dehydrogenation Of Ethane, Justin Lane Park
Theses and Dissertations
The Investigation of Nickel-Based Catalysts for the Oxidative Dehydrogenation of Ethane Justin Lane ParkDepartment of Chemistry & Biochemistry, BYU Doctor of Philosophy Chemistry The advancement of creating ethylene from ethane via oxidative dehydrogenation (ODH) rather than the traditional direct dehydrogenation is right on the cusp of commercialization. The oxidative pathway provides a novel route that reduces the operating temperature of this reaction by 400-500°C. A variety of metals including Mo, V, and Ni that have redox properties suitable for the partial oxidation of small chain alkanes have been investigated. Currently, a MoVNbTe oxide is the most promising catalyst but it …
Selective Catalysis By Polymer-Supported Ruthenium Nanoparticlesand New Ligand Design For Cooperative And Bimetallic Catalysis, Seyed Hadi Nazari
Selective Catalysis By Polymer-Supported Ruthenium Nanoparticlesand New Ligand Design For Cooperative And Bimetallic Catalysis, Seyed Hadi Nazari
Theses and Dissertations
The abstract is the summary of three different projects all centered around the generalidea of catalysis which is the general theme of research in the Michaelis laboratory. The firstproject focuses on development of a new heterogeneous catalyst for selective catalysis. In theMichaelis lab, we were interested in the potential of nanoparticle catalysts for regioselectivetransformations. We showed that polymer supported ruthenium nanoparticles performed as areliable catalyst for regioselective reduction of azide to amine. In our study of regioselectivereduction of multiple azide containing substrates, we observed that in presence of ourruthenium nanoparticle catalysts, the least sterically hindered azide group reduced to aminefunctional …
Applications Of Pattern Recognition Entropy (Pre) And Informatics To Data Analysis, Shiladitya Chatterjee
Applications Of Pattern Recognition Entropy (Pre) And Informatics To Data Analysis, Shiladitya Chatterjee
Theses and Dissertations
The primary focus of my work is the application of informatics methods to the fields of materials science and analytical chemistry. The statistical analysis of data has become increasingly important in understanding the properties of materials and analytes. Statistical methods like principal component analysis (PCA) and multivariate curve resolution (MCR) are widely used for analysis in chemistry and other fields given their ability to categorize spectra in an unsupervised way. PCA is relatively easy to apply and has appealing mathematical properties. However, the results can be challenging to interpret, even for experienced users. In contrast, MCR results can be more …