Chemistry Commons^™

New Fluorescent Sensors Based On Thiazolinyl Quinoline Derivatives For Metal Ion Detection, Kavisara Srithadindang

Chulalongkorn University Theses and Dissertations (Chula ETD)

Heavy metals can severely impact human health by causing neurotoxicity and other serious disorders at high concentrations. This dissertation focuses on developing chemosensors designed for the selective detection and measurement of Cu2+ and Zn2+, two of the most abundant heavy metals on earth. The initial section outlines the design, synthesis, and characterization of four novel fluorescent sensors (8-TQ1, 2-TQ2, 3-TQ2, and 8-TQ2). Conceptually, these probes are designed to possess an aminoquinoline scaffold linked with a thiazoline unit as a receptor to enable selective metal ion detection. 8-TQ1 probe, which features a secondary amine group within its structure and is connected …

Lead-Free Perovskite/Metal Oxide Heterojunction Photocatalyst For Sustainable Toluene Oxidation, Zakarya Hazaea

Chulalongkorn University Theses and Dissertations (Chula ETD)

An important field of study is the ecologically benign synthesis of useful compounds such as benzaldehyde and benzyl alcohol from the organic contaminant toluene. Lead-free halide perovskites are excellent options for photocatalysis due to their exceptional photoelectric properties. Nonetheless, they have notable challenges, such as fast charge recombination and ineffective charge separation. In this work, we present a simple anti-solvent technique to create a heterojunction between lead-free halide perovskite Cs2AgBiBr6 (CABB) with Cu2O and Cu-Cu2O. This combination facilitates the photocatalytic activation of C(sp3)−H bonds, which in turn increases the oxidation of toluene. The Cu2O and Cu-Cu2O creating a Z-scheme heterojunction …

Amination Of 2-Bromo-6-Methylaminopyridine, Matthew H. Elterman

Honors College Theses

Extended metal atom chains (EMACs) represent molecular structures comprising a linear arrangement of metal ions, accompanied by supporting ligands. These compounds possess intriguing properties, yet remain understudied, drawing interest from diverse fields such as physics. However, synthesizing these multimetallic complexes poses significant challenges due to their intricate nature and specificity. Bridging ligands like silyl aminopyridine (SAP) and dipyridyl amine (DAP) have been utilized successfully to support EMACs, with SAP's application in this context being limited to a single published case, highlighting the urgent need for stabilization. This project aims to address this challenge through the synthesis of a novel scaffolded …

Assessment Of The Extraction And Quantification Of Pfbs From Sprague Dawley Rat Adipose Tissues, Joshua O. Osaghae

Honors College Theses

Per- and polyfluoroalkyl substances (PFAS) are a group of complex synthetic chemicals that have applications ranging from automotives to consumer products. PFAS have been found to bioaccumulate in the ecosystem as their carbon-fluorine bonds are among the strongest bonds in organic chemistry. Perfluorobutanesulfonic acid (PFBS) compounds are used as surfactants in water- and stain-repellent coatings for fabrics and carpets, cleaning agents, and paints. The persistence of PFAS has led to their accumulation in sources of groundwater, making them ubiquitous drinking water contaminants of concern with evidence linking PFAS exposure to adverse health effects, including reduced kidney function, thyroid disruption, and …

Numerical Solution Of Hybrid Nanofluid And Its Stability Over Permeable Wedge Sheet With Heat Transfer Analysis, Aisha M. Alqahtani, Zeeshan, Waris Khan, Florentin Smarandache, Nidhal Becheikh, Roobaea Alroobaea, Taseer Muhammad

Branch Mathematics and Statistics Faculty and Staff Publications

The inclusion of nanoparticles has the potential to improve the thermal efficiency of the base fluid. The field of nanofluid (NF) dynamics has attracted important attention due to its extensive range of practical uses like fuel cells, solar energy, medication administration, heat transfer, microfabrication, coolant applications, and other related domains. The aim of this study is to scrutinize the impact of Lorentz force, thermal energy, joule heating, heat source and injection parameters, and Brownian and thermoporetic diffusions on the hybrid nanofluid over the moving wedge. The stability inquiry is reported for the existing work in order to confirm the stable …

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), …

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 …

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 …

Dna Origami-Assisted Regioselective Organization Of Anisotropic Gold Nanotriangle Clusters, Wenyan Liu, Prashant Gupta, Yuwei Zhang, Krishna Thapa, Srikanth Singamaneni, Risheng Wang

Chemistry Faculty Research & Creative Works

The manipulation of anisotropic nanoparticles, such as gold nanorods and nano prisms, has attracted great attention in nanotechnology due to their sensitive geometry-dependent properties. However. traditional synthesis and assembly methods for these particles face challenges in size uniformity and higher-order structuring. To address these limitations, this study presents a strategy using DNA origami triangles, not just as templates, but as encapsulating agents for gold nanotriangles (AuNTs). This method enables the construction of diverse nanoparticle clusters with precisely controlled distance and orientation. The formed clusters exhibit unique optical characteristics, demonstrated by UV-visible spectroscopy and supported by finite-difference time domain (FDTD) simulations. …

Enzymatic And Ultrasound-Assisted Extraction Of Bioactive Triterpenoids From Centella Asiatica, Zue Zue Win Myat

Chulalongkorn University Theses and Dissertations (Chula ETD)

Centella asiatica (L.) Urban, commonly known as gotu kola or bua-bok in Thai, is a medicinal herb valued for its rich content of pharmacologically active triterpenoids, notably asiaticoside, madecassoside, asiatic acid, and madecassic acid. These compounds contribute to a range of therapeutic effects, including wound healing, antioxidant, anti-inflammatory, antibacterial, and neuroprotective activities. However, conventional extraction methods such as maceration and Soxhlet extraction are often constrained by long processing times, high solvent usage, and low extraction efficiency. To address these limitations, this study investigates an integrated green extraction strategy that combines enzymatic pretreatment with ultrasound-assisted extraction (UAE) for the efficient recovery …

การนำกลับคืนอะลูมิเนียมจากพลาสติกลามิเนตด้วยเครื่องปฏิกรณ์ไพโรไลซิสแบบสกรูเดี่ยว, ธนกร โลวาศรี

Chulalongkorn University Theses and Dissertations (Chula ETD)

“กระบวนการไพโรไลซิส” เป็นหนึ่งในกระบวนการที่ได้รับความสนใจในการจัดการขยะพลาสติก เพราะเป็นกระบวนการที่ส่งผลกระทบต่อสิ่งแวดล้อมน้อย ซึ่งในกรณีของขยะพลาสติกผสมชั้นอะลูมิเนียม กระบวนการไพโรไลซิสสามารถกำจัดส่วนที่เป็นพลาสติกออกไป และนำอะลูมิเนียมกลับคืนมาได้ โดยในงานวิจัยนี้จะศึกษาการนำอะลูมิเนียมกลับคืนจากขยะพลาสติกผสมชั้นอะลูมิเนียมด้วยเครื่องปฏิกรณ์ไพโรไลซิสแบบสกรูเดี่ยว โดยมีวัตถุประสงค์เพื่อหาภาวะที่เหมาะสมที่จะได้อะลูมิเนียมความบริสุทธิ์สูงกลับคืนมา งานวิจัยนี้แบ่งการศึกษาออกเป็น 2 ส่วน คือการศึกษากระบวนการไพโรไลซิส และการวิเคราะห์ข้อมูลเชิงเศรษฐศาสตร์ โดยการศึกษาส่วนแรกมี 2 ตัวแปรที่ศึกษา คืออุณหภูมิที่ใช้ในกระบวนการไพโรไลซิสที่ 425, 450 และ 475 องศาเซลเซียส และความเร็วรอบสกรูในเครื่องปฏิกรณ์ที่ 6, 7 และ 8 รอบต่อนาที จากการวิเคราะห์วัตถุดิบขยะพลาสติกพบว่ามีการสลายตัวของพอลิเมอร์ที่อุณหภูมิ 420-480 องศาเซลเซียส ในส่วนของการศึกษาอิทธิพลของอุณหภูมิที่ใช้ในกระบวนการไพโรไลซิสพบว่าเมื่ออุณหภูมิสูงขึ้น ทำให้พอลิเมอร์สลายตัวออกไปได้มากขึ้น และส่งผลให้อะลูมิเนียมมีความบริสุทธิ์สูงขึ้น และในการศึกษาอิทธิพลของความเร็วรอบสกรูในเครื่องปฏิกรณ์พบว่าเมื่อความเร็วรอบลดลง พอลิเมอร์จะสลายตัวได้มากขึ้น แต่ความบริสุทธิ์ของอะลูมิเนียมที่ได้นั้น ไม่เป็นไปตามทฤษฎี อย่างไรก็ตามกระบวนการไพโรไลซิสนี้สามารถนำอะลูมิเนียมกลับคืนได้ถึง 95% ที่ความบริสุทธิ์สูงสุดประมาณ 89% จากการดำเนินการที่อุณหภูมิ 475 องศาเซลเซียส ความเร็วรอบ 8 รอบต่อนาที และในส่วนของการวิเคราะห์ข้อมูลเชิงเศรษฐศาสตร์ พบว่าจะมีผลกำไรจากการขายอะลูมิเนียมที่นำกลับคืนมา 593,180 บาทต่อปี และจะใช้เวลา 7 ปีในการคืนทุน

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 …

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 …

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 …

Biaryl Anion Radical Formation By Potassium Metal Reduction Of Aryl Isocyanates And Triaryl Isocyanurates, Steven J. Peters, Sean H. Kennedy, Colton J. Christiansen

Faculty Publications – Chemistry

The potassium metal reduction of aryl isocyanates(aryl = phenyl, p-tolyl, 3,5-dimethylphenyl, 4-biphenylyl, and 1-naphthyl) in THF with 18-crown-6 or in HMPA results in the formation of the corresponding triaryl isocyanurate anion radicals. Continued exposure to potassium results in loss of the isocyanurate anion radical and the eventual formation of the respective biaryl anion radical. The 1,1′-binaphthyl anion radical is found to undergo a cyclodehydrogenation reaction, which leads to formation of the perylene anion radical. When authentic triaryl isocyanurates are reduced with metal, the heterocyclic ring undergoes fragmentation with elimination of carbon monoxide to produce a triarylbiuret dianion. This ring opening …

Frsc 480-002: Forensic Microscopy, Fisher David

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

The Effect Of Ions On The Adsorption Of So2 On A Water Nanoparticle, Nathaniel W. Gillispie

Mahurin Honors College Capstone Experience/Thesis Projects

Secondary Organic Aerosols (SOAs) have been of interest to atmospheric chemists for their harmful effects on human health and implications for climate change. Here, we explore a likely system from the early stages of SOA formation. Using compu- tational methods, water nanoparticles with and without ions were simulated. We observe the effects of ions on the adsorption of SO2 on this system. SO2 in the at- mosphere is associated with greater production of SOAs, so its study is important to SOA formation. We find that the overall structure of water is the most important observable affecting the location of SO2 …

Permafrost Carbon: Progress On Understanding Stocks And Fluxes Across Northern Terrestrial Ecosystems, Claire C. Treat, Anna-Maria Virkkala, Eleanor Burke, Lori Bruhwiler, Abhishek Chatterjee, Joshua B. Fisher, Josh Hashemi, Frans-Jan W. Parmentier, Brendan M. Rogers, Sebastian Westermann, Jennifer D. Watts, Elena Blanc-Betes, Matthias Fuchs, Stefan Kruse, Avni Malhotra, Kimberley Miner, Jens Strauss, Amanda Armstrong, Howard E. Epstein, Bradley Gay, Mathias Goeckede, Aram Kalhori, Dan Kou, Charles E. Miller, Susan M. Natali, Youmi Oh, Sarah Shakil, Oliver Sonnentag, Ruth K. Varner, Scott Zolkos, Edward A.G. Schuur, Gustaf Hugelius

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Significant progress in permafrost carbon science made over the past decades include the identification of vast permafrost carbon stocks, the development of new pan-Arctic permafrost maps, an increase in terrestrial measurement sites for CO₂ and methane fluxes, and important factors affecting carbon cycling, including vegetation changes, periods of soil freezing and thawing, wildfire, and other disturbance events. Process-based modeling studies now include key elements of permafrost carbon cycling and advances in statistical modeling and inverse modeling enhance understanding of permafrost region C budgets. By combining existing data syntheses and model outputs, the permafrost region is likely a wetland methane …

Design Of Kappa Opioid Receptor Agonists For Potential Treatment Of Multiple Sclerosis, Lindsay Kornberger

Theses and Dissertations--Pharmacy

Multiple Sclerosis (MS) is a neurodegenerative disease of the central nervous system characterized by demyelination and neuroinflammation. There is currently no cure for MS. There is a critically unmet need for the development of pharmacotherapies that can induce remyelination promoting both repair and recovery. The kappa opioid receptor (KOR) has been identified as a potential target for the development of remyelinating pharmacotherapies. KOR activation has been shown to promote functional recovery and remyelination preclinically. However, typical KOR agonists like U50,488 have limitations such as sedation and dysphoria limiting their use. This necessitates further development of new KOR agonists that maintain …

Inorganic Chemical Reasoning Skills: An Exploratory Study Into Understanding Students’ Choices And Thought Processes, Hannah P. Thompson

Graduate Theses/Dissertations

Predicting the products of reactions is a fundamental skill for practicing inorganic chemists. However, the current knowledge of the strategies that students use to solve them is limited. Presumably, instructors of inorganic chemistry courses give complete-the-reaction assessment items hoping that students will use their knowledge of inorganic concepts to solve them; but it is conceivable that a successful student could use heuristics or domain general problem-solving methods. I proposed this study to determine which strategies were used by students when solving complete-the-reaction tasks in inorganic chemistry, and also to make qualitative connections between strategy and accuracy. This was done in …

The Kinetic Modulation Of Α - Synuclein Fibrillation And Toxicity By 4-Phenylbutyric Acid, Kristos Awuah Baffour

Graduate Theses/Dissertations

ABSTRACT

The Protein misfolding and aggregation of alpha-synuclein (α-syn) into neurotoxic amyloids underlies the pathogenesis of neurodegenerative diseases such as Parkinson's disease (PD). 4-Phenylbutyrate (PBA), an FDA drug approved for treating urea cycle disorders, has garnered significant attention as a potential chemical chaperone for targeting alpha-synuclein (α-syn) aggregation. Using in vitro assays, we demonstrated that PBA treatment alters the pattern of α-syn aggregation, as evidenced by reduced formation of oligomeric species and its increased susceptibility to proteolytic cleavage under the influence of PBA. Proteinase K assay, surface plasmon resonance, and Nile red studies indicate that PBA interacts with the extensive …

Development Of Functional Plasmonic Nanoceria For The Ultrasensitive Detection Of Ebola Glycoprotein, Carissa A. Sutton

Graduate Theses/Dissertations

Infectious diseases have been increasing in both severity and prevalence, leading to increasing economic burdens and health concerns. Ebola hemorrhagic fever is an infectious disease that is both highly communicable and highly fatal. Current detection methods for the virus have high specificity and sensitivity but have long and/or complicated procedures that do not allow for early virus detection in highly affected areas. Compared to the lengthy procedure of reverse transcription-polymerase chain reaction (RT-PCR), real-time RT-PCR is more time-efficient; however, specificity and sensitivity are reduced. Since early detection of the virus is the only way to increase survival rates, sensitive detection …

Additive-Dependent Regioselective Boracarboxylation Of Alkenes Using Low Valent Copper And Co2, Carly H. Gordon Ph.D.

Graduate Theses, Dissertations, and Problem Reports (ETD)

As a major greenhouse gas, carbon dioxide (CO₂) is an abundant and renewable C₁ feedstock, and developing methods for fixing CO₂ into high-value products is a major interest for the movement of greener chemistry. The boracarboxylation of alkenes provides access to difunctionalized products containing pharmaceutically relevant motifs, including carboxylic acids and boron-containing moieties. Significant work has been done to improve the versatility and efficiency of this methodology, with the recent expansion into a wide variety of terminal alkenes. The use of different phosphine and alkene additives have demonstrated positive effects on reaction rates and productivity, indicating …

Experimental And Chemical Modeling Of Applied Dc Electric Field Induced H2 – Air Axisymmetric Laminar Co-Flow Diffusion Flames With Low Carbon Impurities, Susith Dilshan Pathmasiri Gunamuni Halowitage

Graduate Theses, Dissertations, and Problem Reports (ETD)

The effect of externally applied DC electric fields on flame structure was investigated in a stationary atmospheric axisymmetric laminar H₂–Air flame with less than 100 ppm carbon equivalent impurities. Flame OH chemiluminescence signals were recorded using a UV-sensitive CCD array as a function of voltage (+10 to -10 kV) applied to a stainless-steel ring electrode placed around the burner nozzle. Changes in chemiluminescence signal are reported as a function of electrode height above the burner, airflow, and fuel composition. Significant changes in OH* distributions were observed for voltages below -5 kV. Under optimum conditions, the height of the …

Development Of Lab-On-A-Chip Platforms Incorporating A Novel Acoustic Atomization Induced Pump Based On A Vibrating Sharp Edge Capillary., Balapuwaduge Lihini Tharanga Catherine Mendis

Graduate Theses, Dissertations, and Problem Reports (ETD)

Capillary Vibrating Sharp-edge Ionization device (cVSSI device) was developed by our laboratory with a low cost and an easy fabrication procedure. The generation of small liquid droplets by this technique has been used as an ionization source for mass spectrometry analysis platforms. On usual applications incorporating the cVSSI device a syringe pump was connected to the back end of the vibrating sharp tip capillary to ensure continuous loading of sample into the capillary to sustain the ionization process at the tip end of the vibrating sharp tip capillary. We were able to observe that upon the generation of droplets the …

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 …

Investigation Of Space Charge Effects On Co2 Electrocatalytic Reduction On Gd-Doped Ceria Via Scanning Kelvin Probe And Model-Based Bayesian Analysis, Alejandro Mejia

Graduate Theses, Dissertations, and Problem Reports (ETD)

In studying novel energy conversion and storage systems, such as high-temperature electrolysis, numerous underlying fundamental physical processes remain unclear or inadequately understood. Among these, the modeling and comprehension of surface reaction mechanisms, coupled with the intricate effects of space‑charge interfaces, remains an unclear and challenging area of research.

The work of this dissertation involves the development of a 2D finite element analysis model, leveraging the robust MOOSE framework from INL. This model, featuring inhomogeneous defect thermodynamics for near-surface chemistry, formulated through Poisson‑Cahn variational theory, has been exploited for studying the electrocatalytic reduction of CO₂ on gadolinia doped ceria. The …

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. …

Nickel-Catalyzed Regioselective Three-Component Coupling Of Phenyl Vinyl Sulfones With Alkynes, Stephen M. Long

Graduate Theses, Dissertations, and Problem Reports (ETD)

Benzene rings are some of the most prevalent motifs found in small molecule drugs with only a few dominant substitution patterns, 1-, 1,2-, 1,4-, and 1,2,4-. Nucleophilic aromatic substitution and electrophilic aromatic substitution are traditional methods for the synthesis of substituted benzenes and are robust and commonly used by chemical manufacturers, which explains in part the observed distribution of substitution patterns. Current methods to access substituted benzenes comprise of transition-metal-catalyzed C-H activation, transition-metal-catalyzed cross-coupling, and aryne chemistry. In general, the present methods require directing/leaving groups in specific positions to proceed, which inherently puts a limitation on substrate scope. Transition-metal-catalyzed [2+2+2] …

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 (^MesPDP^Ph) 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 [(^MesPDP^Ph)Fe(C(CO₂Me)(4-FPh) and (^MesPDP^Ph)Fe(C(CO₂Me)(4-MeOPh)] demonstrated a weak Fe-O interaction between the iron center and ester function group while the (^MesPDP^Ph)Fe(IMe) displayed a C_2v symmetric structure in the …