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Room Temperature Decarboxylative Amination Reactions Of Carboxylic Acids, Rabina Basnet Jan 2024

Room Temperature Decarboxylative Amination Reactions Of Carboxylic Acids, Rabina Basnet

Graduate Theses, Dissertations, and Problem Reports (ETD)

Anilines are important structural motifs present in numerous natural products and pharmaceutically relevant compounds. Among the various synthetic strategies that have been developed, transition-metal-catalyzed cross-coupling reactions represent one of the most commonly employed methods for the formation of anilines. However, these approaches generally require pre-functionalized aryl coupling partners, and the utilization of more readily available, and structurally diverse coupling partners, such as carboxylic acids, would be desirable. Decarboxylative coupling reactions have garnered significant attention as an alternative approach to form new C-N bonds, and substantial progress has been made in this area. Nevertheless, these methods remain limited, with a predominant …

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Photoinduced Alpha-Hydroxy C–H Alkylation Of Mono-Alcohols Via Hydrogen Atom Transfer (Hat) Of An Activated Boron-Containing Complex, Courtney Deanna Glenn Jan 2024

Photoinduced Alpha-Hydroxy C–H Alkylation Of Mono-Alcohols Via Hydrogen Atom Transfer (Hat) Of An Activated Boron-Containing Complex, Courtney Deanna Glenn

Graduate Theses, Dissertations, and Problem Reports (ETD)

Hydroxy (-OH) groups are one of the most abundant functional groups found in natural products and pharmaceuticals with many of these compounds containing multiple alcohol classes. The ability to selectively functionalize a specific α-OH C–H bond in the presence of other competitive sites would provide straightforward access to new, potentially bioactive compounds. In recent literature, photoredox catalysis has been implemented to perform site and stereoselective α-OH C–H functionalization of cis-diol containing substrates. Incorporating an organoboron cocatalyst into these systems have proven to be crucial in decreasing the bond dissociation energy (BDE) and increasing hydricity of the α-OH C–H bond …

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Investigation Of Deoxyfluorination Of Alkyl Alcohols Using Pentafluoropyridines Through A Covalent Intermediate, Christopher Allen Bias Jan 2024

Investigation Of Deoxyfluorination Of Alkyl Alcohols Using Pentafluoropyridines Through A Covalent Intermediate, Christopher Allen Bias

Graduate Theses, Dissertations, and Problem Reports (ETD)

Organofluorines are an omnipresent class of organic molecules, especially in pharmaceuticals. Selective fluorination of drug molecules allows for the influence of properties including metabolic activity, solubility, and intrinsic potency. Deoxyfluorinations are typically performed via generation of nucleophilic fluoride from a deoxyfluorination agent. Traditionally, diethylaminosulfur trifluoride (DAST) is the reagent of choice for these reactions, and it remains a popular reagent today. However, it has a propensity to form elimination side products and explode. Several research groups have recently developed new classes of deoxyfluorination agents including imidazole-based reagents (PhenoFluor) and sulfonyl fluorides (PyFluor) that exhibit better functional group tolerance and much …

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Conformational Investigation Of Biopolymers Through Molecular Dynamics (Md) Simulations And In-Droplet Hdx-Ms Utilizing Cvssi, Samira Hajian Foroushani Jan 2024

Conformational Investigation Of Biopolymers Through Molecular Dynamics (Md) Simulations And In-Droplet Hdx-Ms Utilizing Cvssi, Samira Hajian Foroushani

Graduate Theses, Dissertations, and Problem Reports (ETD)

Over the last two decades, mass spectrometry (MS) has received significant interest in biological study platforms, especially in the areas of proteomics and metabolomics. With the development of soft ionization methods like electrospray ionization (ESI), mass spectrometry has emerged as a potent method for directly characterizing proteins in their native state. The recent invention of capillary vibrating sharp-edge spray ionization has opened new avenues for the study of biopolymer native structure including the usage of droplet charge tuning and in-droplet hydrogen-deuterium exchange (HDX) labeling. With this new technique comes the opportunity to study biopolymer ion structure preservation with molecular dynamics …

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Α-Hydroxy C–H Functionalization Of Alcohols Via Boronic Acid, Hat, Photoredox Triad Catalytic System, Seth Christopher Cowan Jan 2024

Α-Hydroxy C–H Functionalization Of Alcohols Via Boronic Acid, Hat, Photoredox Triad Catalytic System, Seth Christopher Cowan

Graduate Theses, Dissertations, and Problem Reports (ETD)

This dissertation explores the research that I have conducted in my time at West Virginia University. Most of my work has focused on the development of methods and studies to further understand the α-OH C–H functionalization of alcohols. This work involves a system of catalysts including photocatalysts, HAT catalysts, and boronic acid catalysts. Chapter 1 highlights a background for each of these areas. Photoredox catalysis has been an increasing area of chemistry over the past two decades as this technique can be used to design conditions to form new bonds in a selective manner through the utilization of light energy. …

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Synthesis, Characterization, And Reactivity Studies Of Pyridine Dipyrrolide Iron-Carbene Complexes With Electronically Distinct Carbene Moieties, Jose G. Rodriguez Jan 2024

Synthesis, Characterization, And Reactivity Studies Of Pyridine Dipyrrolide Iron-Carbene Complexes With Electronically Distinct Carbene Moieties, Jose G. Rodriguez

Graduate Theses, Dissertations, and Problem Reports (ETD)

First, three (MesPDPPh) iron carbene complexes with electronically distinct carbene moieties were synthesized. These transitional iron carbene complexes were first characterized by 1H nuclear magnetic resonance (NMR) spectroscopy as their spectra showed paramagnetically shifted resonances. Additionally, their respected solid state structures were collected via X-ray diffraction. The two donor/acceptor iron carbene complexes [(MesPDPPh)Fe(C(CO2Me)(4-FPh) and (MesPDPPh)Fe(C(CO2Me)(4-MeOPh)] demonstrated a weak Fe-O interaction between the iron center and ester function group while the (MesPDPPh)Fe(IMe) displayed a C2v symmetric structure in the …

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A Portable, Digital Nucleic Acid Amplification Test For Use At The Point Of Care, Bethany J. Fike Jan 2024

A Portable, Digital Nucleic Acid Amplification Test For Use At The Point Of Care, Bethany J. Fike

Graduate Theses, Dissertations, and Problem Reports (ETD)

Nucleic acid tests are key tools for the detection and diagnosis of many diseases. In many cases, the amplification of nucleic acids is required to reach a detectable level. Although nucleic acid tests have great success, there is a need to make nucleic acid amplification tests more accessible to a point-of-care (POC) setting for diagnosis, prognosis, and monitoring of infectious diseases. Traditionally, these tests are performed through bulk Polymerase Chain Reaction (PCR) and are monitored in real time with a change in fluorescence intensity. With these bulk testing methods, only a qualitative or semi-quantitative result is possible. For more exact …

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Extended Conformations Of Bifurcating Electron Transfer Flavoprotein Constitute Up To Half The Population, Possibly Mediating Conformational Change, Sharique A. Khan, Alan Hicks, Wellington C. Leite, James Byrnes, Biswajit Gorai, Maria-Andrea Mroginski, Hugh O'Neill, Anne-Francis Miller Jan 2024

Extended Conformations Of Bifurcating Electron Transfer Flavoprotein Constitute Up To Half The Population, Possibly Mediating Conformational Change, Sharique A. Khan, Alan Hicks, Wellington C. Leite, James Byrnes, Biswajit Gorai, Maria-Andrea Mroginski, Hugh O'Neill, Anne-Francis Miller

Markey Cancer Center Faculty Publications

Electron transfer bifurcation enables biological systems to drive unfavourable (endergonic) electron transfer by coupling it to favourable (exergonic) transfer of a second electron. In electron transfer flavoproteins (ETFs), a domain-scale conformational change is believed to sever the favourable pathway after a single electron has used it, thereby preventing the energy dissipation that would accompany exergonic transfer of the second electron. To understand the conformation change that participates in turnover, we have deployed small-angle neutron scattering (SANS) and computational techniques to characterize the bifurcating ETF from Acidaminococcus fermentans (AfeETF). SANS data reveal an overall radius of gyration (Rg) of 30.1 ± …

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Biliverdin Reductase-A Integrates Insulin Signaling With Mitochondrial Metabolism Through Phosphorylation Of Gsk3Β, Chiara Lanzillotta, Antonella Tramutola, Simona Lanzillotta, Viviana Greco, Sara Pagnotta, Caterina Sanchini, Silvia Di Angelantonio, Elena Forte, Serena Rinaldo, Alessio Paone, Francesca Cutruzzolà, Flavia Agata Cimini, Ilaria Barchetta, Maria Gisella Cavallo, Andrea Urbani, D. Allan Butterfield, Fabio Di Domenico, Bindu D. Paul, Marzia Perluigi, Joao M.N. Duarte Jan 2024

Biliverdin Reductase-A Integrates Insulin Signaling With Mitochondrial Metabolism Through Phosphorylation Of Gsk3Β, Chiara Lanzillotta, Antonella Tramutola, Simona Lanzillotta, Viviana Greco, Sara Pagnotta, Caterina Sanchini, Silvia Di Angelantonio, Elena Forte, Serena Rinaldo, Alessio Paone, Francesca Cutruzzolà, Flavia Agata Cimini, Ilaria Barchetta, Maria Gisella Cavallo, Andrea Urbani, D. Allan Butterfield, Fabio Di Domenico, Bindu D. Paul, Marzia Perluigi, Joao M.N. Duarte

Markey Cancer Center Faculty Publications

Brain insulin resistance links the failure of energy metabolism with cognitive decline in both type 2 Diabetes Mellitus (T2D) and Alzheimer’s disease (AD), although the molecular changes preceding overt brain insulin resistance remain unexplored. Abnormal biliverdin reductase-A (BVR-A) levels were observed in both T2D and AD and were associated with insulin resistance. Here, we demonstrate that reduced BVR-A levels alter insulin signaling and mitochondrial bioenergetics in the brain. Loss of BVR-A leads to IRS1 hyper-activation but dys- regulates Akt-GSK3β complex in response to insulin, hindering the accumulation of pGSK3βS9 into the mito- chondria. This event impairs oxidative phosphorylation and fosters …

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Perfluorooctanesulfonic Acid Exposure Leads To Downregulation Of 3-Hydroxy-3-Methylglutaryl-Coa Synthase 2 Expression And Upregulation Of Markers Associated With Intestinal Carcinogenesis In Mouse Intestinal Tissues, Josiane Weber Tessmann, Pan Deng, Jerika Durham, Chang Li, Moumita Banerjee, Qingding Wang, Ryan A. Goettl, Daheng He, Chi Wang, Eun Y. Lee, B. Mark Evers, Bernhard Hennig, Yekaterina Y. Zaytseva Jan 2024

Perfluorooctanesulfonic Acid Exposure Leads To Downregulation Of 3-Hydroxy-3-Methylglutaryl-Coa Synthase 2 Expression And Upregulation Of Markers Associated With Intestinal Carcinogenesis In Mouse Intestinal Tissues, Josiane Weber Tessmann, Pan Deng, Jerika Durham, Chang Li, Moumita Banerjee, Qingding Wang, Ryan A. Goettl, Daheng He, Chi Wang, Eun Y. Lee, B. Mark Evers, Bernhard Hennig, Yekaterina Y. Zaytseva

Markey Cancer Center Faculty Publications

Perfluorooctanesulfonic acid (PFOS) is a widely recognized environment pollutant known for its high bio- accumulation potential and a long elimination half-life. Several studies have shown that PFOS can alter multiple biological pathways and negatively affect human health. Considering the direct exposure to the gastrointestinal (GI) tract to environmental pollutants, PFOS can potentially disrupt intestinal homeostasis. However, there is limited knowledge about the effect of PFOS exposure on normal intestinal tissues, and its contribution to GI- associated diseases remains to be determined. In this study, we examined the effect of PFOS exposure on the gene expression profile of intestinal tissues of …

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Enhancing Uptake Capability Of Green Carbon Black Recycled From Scrap Tires For Water Purification, Jiho Choi, Jihyun Kang, Huiseong Yang, Sangin Yoon, Jun-Hyun Kim, Hyun-Ho Park Jan 2024

Enhancing Uptake Capability Of Green Carbon Black Recycled From Scrap Tires For Water Purification, Jiho Choi, Jihyun Kang, Huiseong Yang, Sangin Yoon, Jun-Hyun Kim, Hyun-Ho Park

Faculty Publications – Chemistry

This study reports on the highly simple fabrication of green carbon black (GCB) generated from scrap tires with acetic acid to improve the adsorption efficiency for water purification, which is thoroughly compared with conventional carbon black (CB) obtained from petrochemicals. Unlike traditional modification processes with strong acids or bases, the introduction of a relatively mild acid readily allowed for the effective modification of GCB to increase the uptake capability of metal ions and toxic organic dyes to serve as effective adsorbents. The morphological features and thermal decomposition patterns were examined by electron microscopy and thermogravimetric analysis (TGA). The surface functional …

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Antibody-Driven Assembly Of Plasmonic Core–Satellites To Increase The Sensitivity Of A Sers Vertical Flow Immunoassay, Eunice Ebbah, Anthony Amissah, Jun-Hyun Kim, Jeremy D. Driskell Jan 2024

Antibody-Driven Assembly Of Plasmonic Core–Satellites To Increase The Sensitivity Of A Sers Vertical Flow Immunoassay, Eunice Ebbah, Anthony Amissah, Jun-Hyun Kim, Jeremy D. Driskell

Faculty Publications – Chemistry

Here, we describe a SERS-based vertical flow assay as a platform technology suitable for point-of-care (POC) diagnostic testing. A capture substrate is constructed from filter paper embedded with spherical gold nanoparticles (AuNPs) and functionalized with an appropriate capture antibody. The capture substrate is loaded into a filtration device and connected to a syringe to rapidly and repeatedly pass the sample through the sensor for efficient antigen binding. The antigen is then labeled with a SERS-active detection probe. We show that only a few Raman reporter molecules, exclusively located adjacent to the plasmonic capture substrate, generate detectible signals. To maximize the …

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Diastereoselective Synthesis Of The Hiv Protease Inhibitor Darunavir And Related Derivatives Via A Titanium Tetrachloride-Mediated Asymmetric Glycolate Aldol Addition Reaction, Jordan M. Witte, Emmanuel Ayim, Christopher J. Sams, Jasmine B. Service, Caitlyn C. Kant, Lillian Bambalas, Daniel Wright, Austin Carter, Kelly Moran, Isabella G. Rohrig, Gregory M. Ferrence, Shawn R. Hitchcock Jan 2024

Diastereoselective Synthesis Of The Hiv Protease Inhibitor Darunavir And Related Derivatives Via A Titanium Tetrachloride-Mediated Asymmetric Glycolate Aldol Addition Reaction, Jordan M. Witte, Emmanuel Ayim, Christopher J. Sams, Jasmine B. Service, Caitlyn C. Kant, Lillian Bambalas, Daniel Wright, Austin Carter, Kelly Moran, Isabella G. Rohrig, Gregory M. Ferrence, Shawn R. Hitchcock

Faculty Publications – Chemistry

Darunavir is a potent HIV protease inhibitor that has been established as an effective tool in the fight against the progression of HIV/AIDS in the global community. The successful application of this drug has spurred the development of derivatives wherein strategic regions (e.g., P1, P1’, P2, and P2’) of the darunavir framework have been structurally modified. An alternate route for the synthesis of darunavir and three related P1 and P1’ derivatives has been developed. This synthetic pathway involves the use of a Crimmins titanium tetrachloride-mediated oxazolidine-2-thione-guided asymmetric glycolate aldol addition reaction. The resultant aldol adduct introduces the P1 fragment of …

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Immobilization Of Thiol-Modified Horseradish Peroxidase On Gold Nanoparticles Enhances Enzyme Stability And Prevents Proteolytic Digestion, Faith E. Breausche, Annelise Somerlot, Jason Walder, Kwame Osei, Samuel Okyem, Jeremy D. Driskell Jan 2024

Immobilization Of Thiol-Modified Horseradish Peroxidase On Gold Nanoparticles Enhances Enzyme Stability And Prevents Proteolytic Digestion, Faith E. Breausche, Annelise Somerlot, Jason Walder, Kwame Osei, Samuel Okyem, Jeremy D. Driskell

Faculty Publications – Chemistry

The specificity and efficiency of enzyme-mediated reactions have the potential to positively impact many biotechnologies; however, many enzymes are easily degraded. Immobilization on a solid support has recently been explored to improve enzyme stability. This study aims to gain insights and facilitate enzyme adsorption onto gold nanoparticles (AuNPs) to form a stable bioconjugate through the installation of thiol functional groups that alter the protein chemistry. In specific, the model enzyme, horseradish peroxidase (HRP), is thiolated via Traut’s reagent to increase the robustness and enzymatic activity of the bioconjugate. This study compares HRP and its thiolated analog (THRP) to deduce the …

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Promoting Thermal Conductivity Of Alumina-Based Composite Materials By Systematically Incorporating Modified Graphene Oxide, Nawon Lee, Jinsol Park, Nayeon Jang, Sehui Lee, Dayeon Kim, Sanggin Yun, Tae Woo Park, Jun-Hyun Kim, Hyun-Ho Park Jan 2024

Promoting Thermal Conductivity Of Alumina-Based Composite Materials By Systematically Incorporating Modified Graphene Oxide, Nawon Lee, Jinsol Park, Nayeon Jang, Sehui Lee, Dayeon Kim, Sanggin Yun, Tae Woo Park, Jun-Hyun Kim, Hyun-Ho Park

Faculty Publications – Chemistry

Small amounts of thermally conductive graphene oxide (GO) and modified GO are systematically introduced as a second filler to thermal interface materials (TIMs) consisting of alumina (Al2O3) particles and polydimethylsiloxane (PDMS). The surface of GO is covalently linked with an organic moiety, octadecylamine (ODA), to significantly improve the miscibility and dispersity of GO across the TIM matrix. Subsequently, two series of PDMS-Al2O3 composite TIMs are manufactured as a function of GO and ODA-GO content (0.25 wt%–2.5 wt%) to understand the effect of these second additives. The incorporation of GO into the Al2O3-PDMS composite materials generally increases the thermal conductivity (TC), …

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Identifying Quantum Interference Effects From Joint Conductance–Thermopower Statistics, Justin P. Bergfield Jan 2024

Identifying Quantum Interference Effects From Joint Conductance–Thermopower Statistics, Justin P. Bergfield

Faculty Publications – Chemistry

Although quantum effects are thought to dominate the heat and charge transport through molecular junctions, large uncertainties in chemical structure, lead-molecule coupling strengths, and energy levels make it difficult to definitively identify these effects from the measured thermopower S and conductance G distributions alone. Here, we develop a simple statistical method to identify destructive quantum interference features (nodes) through the anticorrelation between simultaneously measured G and S values. We find these correlations can be used to unambiguously identify far-detuned nodes, even when G and S distributions alone cannot. As an example, we consider several para- and meta-configured systems, including benzenediamine …

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Assessment Of Conjugation Pathways In N-Methylporphyrins That Are Fused To Acenaphthylene, Phenanthrene Or Pyrene: Evidence For The Presence Of Alternative Aromatic Circuits, Jared S. Salrin, Brian G. Carpenter, Deyaa Abusalim, Timothy D. Lash Jan 2024

Assessment Of Conjugation Pathways In N-Methylporphyrins That Are Fused To Acenaphthylene, Phenanthrene Or Pyrene: Evidence For The Presence Of Alternative Aromatic Circuits, Jared S. Salrin, Brian G. Carpenter, Deyaa Abusalim, Timothy D. Lash

Faculty Publications – Chemistry

Acenaphtho-, phenanthro-, and pyrenopyrrole esters, readily available from Barton-Zard reactions of ethyl isocyanoacetate with nitroarenes, were reacted with methyl iodide and KOH in DMSO to give N-methylpyrroles and subsequent cleavage of the ester moieties was accomplished with KOH in ethylene glycol at 200 °C. Condensation with two equiv of an acetoxymethylpyrrole in refluxing acetic acid-2-propanol afforded a series of annulated tripyrranes. Cleavage of the terminal tert-butyl ester groups with trifluoroacetic acid, followed by condensation with a diformylpyrrole and oxidation with FeCl3, gave N-methyl acenaphtho-, phenanthro-, and pyrenoporphyrins. The N-methyl substituent effectively freezes the tautomeric equilibria to maximize interactions between the …

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Concentration Effects Of Ytterbium(Iii) Ions On The Physical, Structural, Thermal, And Optical Properties Of Barium Phosphate Glasses, Richard Amesimenu Jan 2024

Concentration Effects Of Ytterbium(Iii) Ions On The Physical, Structural, Thermal, And Optical Properties Of Barium Phosphate Glasses, Richard Amesimenu

College of Graduate Studies: Theses & Dissertations

Ytterbium(III)-doped glasses are widely known for their application in near-infrared (NIR) lasers and nowadays attract attention for solar spectral conversion in photovoltaic cells. In this study, the effects of ytterbium(III) concentration on the physical, structural, optical, and thermal characteristics of Yb-doped phosphate glasses were investigated. The glasses were synthesized using the melt-quenching technique with nominal compositions of 50P2O5:(50 – xBaO):xYb2O3 (x = 0, 0.5, 1.0, 2.0, 3.0 and 4 mol%). The properties were then examined by density and related parameters, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform-infrared …

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Investigating The Ultrafast Dissociation Dynamics Of Energetic Materials Using Femtosecond Time-Resolved Mass Spectrometry, Jacob M. Shusterman Jan 2024

Investigating The Ultrafast Dissociation Dynamics Of Energetic Materials Using Femtosecond Time-Resolved Mass Spectrometry, Jacob M. Shusterman

Theses and Dissertations

Shock initiation of energetic materials produces cations and anions that can contribute to initial endothermic chemical reactions which lead to detonation. Hence, knowledge of the initial dissociation pathways of ionized energetic molecules is important for advancing the understanding of initiation mechanisms and meeting longstanding goals of the Department of Defense. Despite their potential importance, these transient charged species are difficult to detect in detonation experiments and are often ignored in molecular dynamics modeling of shocked energetic materials. However, the technique of pump-probe femtosecond time-resolved mass spectrometry (FTRMS) paired with complementary theoretical calculations can be used to elucidate initial unimolecular dissociation …

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Illuminating Function And Enabling Inhibition At The Protein-Membrane Interface Of Glutathione Peroxidase 4., Courtney L. Labrecque Jan 2024

Illuminating Function And Enabling Inhibition At The Protein-Membrane Interface Of Glutathione Peroxidase 4., Courtney L. Labrecque

Theses and Dissertations

Membrane proteins act as gateways to cells and are responsible not only for signaling, lipid transport, and cellular homeostasis, but they are also integral in disease pathologies. One class of membrane proteins, peripheral membrane proteins (PMPs), reside in aqueous compartments of the cell until they are recruited to the membrane to perform their function. Glutathione peroxidase 4 (GPx4) is a PMP enzyme responsible for engaging the membrane and reducing lipid hydroperoxides, thereby preventing cellular death via ferroptosis. Due to its central function surrounding ferroptosis, GPx4 is an interesting drug target that has recently gained interest for inflammatory diseases as well …

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Elucidation Of The Optical Properties Of Si And Si-Ge Alloy Nanostructures With Visible To Near-Ir Photoluminescence, Griffin Spence Jan 2024

Elucidation Of The Optical Properties Of Si And Si-Ge Alloy Nanostructures With Visible To Near-Ir Photoluminescence, Griffin Spence

Theses and Dissertations

Silicon and silicon-germanium alloy nanostructures have garnered increasing attention in the past 25 years due to their favorable optical properties, visible to near-IR luminescence, and inherently low toxicity. While many synthetic routes have been discussed in the literature, the high-temperature, solid-state disproportionation of hydrogen silsesquioxane (HSQ) has become the most popular way to produce highly crystalline, size-tunable Si and Si-based nanostructures (NCs). It has been shown in this work that maximum annealing temperature from 450°-1100°C and the addition of GeI2or SnCl4 precursors can be used to achieve different morphologies, alloying efficiency, and sizes. Directly annealing HSQ from …

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การพัฒนาจีโอพอลิเมอร์ซีเมนต์เพื่อใช้งานเป็นคอนกรีตอัดแน่นด้วยตัวเอง, ภัทรีวรรณ อิ่มสุวรรณ์ Jan 2024

การพัฒนาจีโอพอลิเมอร์ซีเมนต์เพื่อใช้งานเป็นคอนกรีตอัดแน่นด้วยตัวเอง, ภัทรีวรรณ อิ่มสุวรรณ์

Chulalongkorn University Theses and Dissertations (Chula ETD)

ในงานวิจัยนี้เป็นการพัฒนาวิธีการเตรียมจีโอพอลิเมอร์ซีเมนต์ เพื่อใช้งานเป็นคอนกรีตอัดแน่นด้วยตัวเองโดยวิธีการเตรียมแบบจีโอพอลิเมอร์ซีเมนต์ เพื่อนำมาใช้ในงานก่อสร้างโดยใช้แนวคิดแบบเดียวกับการเตรียมปูนซีเมนต์ที่เมื่อทำการเติมน้ำลงไปผสมก็พร้อมใช้งาน ด้วยวิธีการนี้จะช่วยลดขั้นตอนและความยุ่งยากในการผสมเมื่อเทียบกับวิธีการเตรียมจีโอพอลิเมอร์แบบดั้งเดิม ในการศึกษานี้เถ้าลอยจะถูกนำมาผสมกับสารกระตุ้นด่างทั้งสามชนิด ได้แก่ โซเดียมเมต้าซิลิเกต แคลเซียมไฮดรอกไซด์ และโซเดียมไฮดรอกไซด์ ในอัตราส่วนต่างๆ ดังนี้ 49:49:2, 47.5:47.5:5, 46:46:8 และ 45:45:10 ส่วนผสมเหล่านี้ถูกนำไปบดด้วยลูกบดในช่วงเวลาที่แตกต่างกัน คือ 0, 6, 12 และ 24 ชั่วโมง จะได้ออกมาเป็นจีโอพอลิเมอร์ซีเมนต์ชนิดผง สารลดน้ำพิเศษในกลุ่มพอลิคาร์บอกซิเลตอีเทอร์จะถูกเติมลงไปปริมาณ 2% ของน้ำหนักเถ้าลอย ส่วนผสมทั้งหมดจะถูกนำมาผสมกับน้ำและหล่อในแม่พิมพ์ขนาด 2.5 x 2.5 x 2.5 ลูกบาศก์เซนติเมตร ก่อนนำไปบ่มที่อุณหภูมิห้องเป็นเวลา 24 ชั่วโมง และบ่มต่อเนื่องอีก 7 และ 28 วัน และนำตัวอย่างขีโอพอลิเมอร์ซีเมนต์ไปทำการทดสอบสมบัติทางกายภาพ สมบัติเชิงกล และสมบัติทางเคมีของจีโอพอลิเมอร์ซีเมนต์ที่เตรียมได้ ผลการทดสอบพบว่าระยะเวลาที่ทำการบดส่วนผสมและปริมาณของโซเดียมไฮดรอกไซด์ที่เติมลงในส่วนผสม ส่งผลต่อสมบัติต่างๆของจีโอพอลิเมอร์เป็นอย่างมาก โดยส่งผลกับระยะเวลาการก่อตัว ค่ากำลังอัด และอัตราการไหล ผลการศึกษาพบว่าการเพิ่มปริมาณโซเดียมไฮดรอกไซด์ส่งผลให้ค่ากำลังอัดสูงขึ้น และไม่ควรเกิน 8% โดยค่ากำลังอัดสูงสุดที่ได้คือ 21.16 MPa ในอัตราส่วนโซเดียมเมต้าซิลิเกต/แคลเซียมไฮดรอกไซด์/โซเดียมไฮดรอกไซด์ 46:46:8 ที่ผ่านการบดเป็นเวลา 24 ชั่วโมง

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Exploiting Quadratic Unconstrained Binary Optimization And Column Generation For Solving Vehicle Routing Problem With Discretized Time Windows, Krittin Phornsiricharoenphant Jan 2024

Exploiting Quadratic Unconstrained Binary Optimization And Column Generation For Solving Vehicle Routing Problem With Discretized Time Windows, Krittin Phornsiricharoenphant

Chulalongkorn University Theses and Dissertations (Chula ETD)

No abstract provided.

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Change Of Metal Oxidation State At High Temperature, Impact Of Temperature And Reactive Gases, Yegor Nikitin Jan 2024

Change Of Metal Oxidation State At High Temperature, Impact Of Temperature And Reactive Gases, Yegor Nikitin

Dissertations and Theses

The fundamental understanding of gas-solid reactions enables a wide range of applications to be developed and improved. Specifically, the use of metal-based materials is critical to ensuring robust, safe, and long-term operations. For example, in power systems where boilers are used to generate steam for heat or electricity generation the use of stainless metal alloys is critical to allow high quality steam to be produced in a very harsh environment. Alternatively, in catalysis, the use of metal doped heterogeneous catalysts are essential in achieving selectivity and conversion performance for chemical synthesis to emissions abatement. Typically, these metal alloys must withstand …

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Synthesis Of Novel 5-Aryl 2’-Deoxyuridine And 2’-Deoxycytidine Analogues, Kevin E. Persaud Jan 2024

Synthesis Of Novel 5-Aryl 2’-Deoxyuridine And 2’-Deoxycytidine Analogues, Kevin E. Persaud

Dissertations and Theses

Briefly, the following report details a synthetic route to prepare 5-phenyl-2’-deoxycytidine analogues. This multistep synthesis began with silyl protection of the 3’- and 5’-hydroxyl groups of 5-iodo-2’-deoxyuridine. Next, the installation of a phenyl ring at the C5 position of the nucleobase via a Suzuki-Miyaura cross-coupling reaction, yielding 5-phenyl-2’-deoxyuridine (5-PdU). After that, modification of the obtained 5-PdU at the C4 position was performed with benzotriazole-1-yl-oxy-tris-(dimethylamino)-phosphonium hexafluorophosphate (BOP, a peptide-coupling agent) and a base (cesium carbonate) to activate the amide group of the uridine nucleobase for subsequent displacement with a variety of amines. Modification of the C4 position resulted in protected 5-phenyl-2’-deoxycytidine …

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Molecular-Level Design Of Heterometallic Precursors For Rechargeable Battery Cathode Materials, Yuxuan Zhang Jan 2024

Molecular-Level Design Of Heterometallic Precursors For Rechargeable Battery Cathode Materials, Yuxuan Zhang

Electronic Theses & Dissertations (2024 - present)

The synthetic methods for rechargeable battery cathodes are rapidly evolving along with the continuous advancement of the materials themselves. Utilizing precursors for the synthesis of Li- and Na-ion cathode materials are known to ensure a phase-pure product with isotropic element distribution, thereby further enhancing the electrochemical properties of the cathode material. As more cathode materials with complex compositions continue to emerge, the strategies for designing the corresponding precursors are also getting diversified. One of the most promising directions is the employment of single-source precursors (SSPs), defined as molecules that contain all necessary elements in the proper ratio and decomposable under …

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Structural Biology Of Diaphanous-1 And Its Role In Human Pathology, Gregory G. Theophall Jan 2024

Structural Biology Of Diaphanous-1 And Its Role In Human Pathology, Gregory G. Theophall

Electronic Theses & Dissertations (2024 - present)

DIAPH1 is diaphanous related formin which polymerizes actin into filaments and is important to cytoskeleton dynamics.[1, 2] The dysregulation and aberrant activation of DIAPH1 is known to cause deafness[3, 4] and clotting disorders,[5] and is recently implicated in the inflammatory responses associated with cardiovascular and diabetic pathology.[6-9] Despite this, activation of the full length structure and its regulation are poorly understood.[10-12] Therefore, the main objective of this dissertation is to explore the structural, autoinhibitory, and regulatory properties of DIAPH1 in the context of disease pathology. Herein, I show that DIAPH1 has a dynamic structure which is regulated through negative cooperativity, …

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Effect Of Annealing On Photoluminescence From Defects In Gan, Oleksandr Andrieiev Jan 2024

Effect Of Annealing On Photoluminescence From Defects In Gan, Oleksandr Andrieiev

Theses and Dissertations

Annealing is a critical process in modern GaN technology, essential for achieving p-type conductivity by activating the MgGa acceptor, as first demonstrated by Shuji Nakamura in the early 1990s. Despite the omnipresence of hydrogen as an impurity in GaN crystals, the precise mechanisms governing hydrogen diffusion and acceptor passivation remain only partially understood. The presented research investigates the effects of annealing-induced activation and hydrogen passivation on C and Be acceptors in GaN grown by MOCVD, HVPE, and MBE methods. We explored these effects by using several annealing techniques, gas compositions, and thermal regimes. A transient behavior between the C …

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Lessons Learned From Laboratory Study And Field Application Of Re-Crosslinkable Preformed Particle Gels Rppg For Conformance Control In Mature Oilfields With Conduits/Fractures/Fracture-Like Channels, Baojun Bai, Thomas P. Schuman, David Smith, Tao Song Jan 2024

Lessons Learned From Laboratory Study And Field Application Of Re-Crosslinkable Preformed Particle Gels Rppg For Conformance Control In Mature Oilfields With Conduits/Fractures/Fracture-Like Channels, Baojun Bai, Thomas P. Schuman, David Smith, Tao Song

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

This Paper Surveys the Role of Re-Crosslink able Preformed Particle Gels (RPPG) in Addressing Conformance Challenges within Mature Oilfields. Despite Widespread Preformed Particle Gel (PPG) Application in 15,000+ Wells, their Limitations in Sealing Fractures and Conduits Prevalent in Mature Reservoirs Have Driven the Development of RPPG Formulations. Synthesized in Various Sizes from Micrometer to Millimeter Levels, These Environmentally Friendly RPPGs Are Tailored for Diverse Reservoir Conditions. Findings Showcase the Successful Laboratory-Scale Creation and Upscaling of RPPG Products, Offering Adaptability to Temperatures from 20 to 175°C, Customizable Sizes, Swelling Ratios (5 to 40 Times), and Re-Crosslinking Times Spanning Minutes to Days. …

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Molecular Understanding And Design Of Deep Eutectic Solvents And Proteins Using Computer Simulations And Machine Learning, Usman Lame Abbas Jan 2024

Molecular Understanding And Design Of Deep Eutectic Solvents And Proteins Using Computer Simulations And Machine Learning, Usman Lame Abbas

Theses and Dissertations--Chemical and Materials Engineering

Hydrophobic deep eutectic solvents (DESs) have emerged as excellent extractants. A major challenge is the lack of an efficient tool to discover DES candidates. Currently, the search relies heavily on the researchers’ intuition or a trial-and-error process, which leads to a low success rate or bypassing of promising candidates. DES performance depends on the heterogeneous hydrogen bond environment formed by multiple hydrogen bond donors and acceptors. Understanding this heterogeneous hydrogen bond environment can help develop principles for designing high performance DESs for extraction and other separation applications. This work investigates the structure and dynamics of hydrogen bonds in hydrophobic DESs …

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