Physical Sciences and Mathematics Commons^™

3d Printed Microfluidic Devices For Advanced Fluid Manipulation In Biomedical Applications, Kathrine Curtin

Graduate Theses, Dissertations, and Problem Reports

Microfluidics are valuable devices in the biomedical field because of their remarkable ability to manipulate small volumes of fluid and facilitate reactions. Microfluidics have several significant advantages, including their portability, low cost, fast reaction times, and high surface area-to-volume ratios. Microfluidics be used for a multitude of applications, including bioanalysis, cellular assays, organ-on-a-chip, and separations. Microfluidics have great potential to overcome many challenges in conventional chemical and biological applications. However, complex fabrication procedures in silicon, glass, thermoplastics, and (polydimethylsiloxane) PDMS devices make rapidly optimizing and prototyping devices challenging. Microfluidic fabrication techniques have been a long-standing challenge in successfully translating these …

Synthesis And Characterization Of Polymer Grafted Nanoparticles, Eric Gerald Ruzicka

Theses and Dissertations

This dissertation focuses on the design, synthesis, and characterization of well controlled interfaces on nanoparticle surfaces. Reversible addition-fragmentation chain transfer (RAFT) polymerization was used to synthesize block copolymers and polymer grafted silica nanoparticles (PGNs) with precise control over molecular weight, graft density, and architectures.

In the first chapter, polymer molecular weights were determined through diffusion ordered spectroscopy NMR (DOSY NMR) as an alternative to size exclusion chromatography (SEC). Polymer standards of known molecular weight were analyzed through DOSY to obtain their respective diffusion coefficients. A calibration curve was generated correlating diffusion coefficients with polymer molecular weights. The reliability of the …

Structural And Functional Modulation Of Metal-Organic Supercontainers (Moscs) And Their Applications In Supramolecular Catalysis, Shrijana Dc

Dissertations and Theses

Metal-organic supercontainers (MOSCs), a breakthrough development in our laboratory since 2012, have emerged as promising enzyme mimics, showcasing their prowess in encapsulating guest molecules and catalyzing confined chemical reactions. The intrigue surrounding MOSCs stems from their extraordinary traits, encompassing multiple binding domains, high stability, large surface area, tunable pore size, and structural modularity. Primarily comprising sulfonylcalix[4]arenes, divalent metal ions, and carboxylate linkers, MOSCs' quintessential architecture comprises both endo- and exo- nano-cavities, amenable to guest interaction, with geometry and functionality manipulation achievable through precise precursor selection. Nonetheless, early MOSC models exhibit limited reactivity, often necessitating more potent nucleophiles or electrophiles. This …

The Design And Characterization Of Gold Nanoclusters As Elementary Building Blocks, Heather Gaebler

Theses and Dissertations (Comprehensive)

Gold nanoclusters with diameters in the quantum size regime (< ~2 nm) are promising building blocks for the design of novel nanomaterials as they exhibit unique size-dependent properties that can be altered and fine-tuned. The research outlined in this PhD thesis employs density functional theory to construct and analyze small ligand-protected cage and rod-shaped nanoclusters. Chapter 2 reports stable halide-protected gold nanocages that were engineered to have a closed-shell valence electron count of 18. This study finds that nanocages comprised of 19 and 20 gold atoms can be converted into stable magic number species containing 18 valence electrons by modifying their charged states via adsorption of halide ligands to the cage’s surface. Chapter 3 reports stable ligand-protected gold nanoclusters with a tetrahedral Au₄ core that were engineered to have a closed-shell valence electron count of 2. This study investigates the structural and electronic effects of halide and alkoxy ligands on the tetrahedral nanocluster and concludes that the results support the broader conclusion that it’s possible to fine-tune the stability and electronic properties of small gold nanoclusters using appropriate ligands. Chapter 4 reports stable gold nanorods that have diameters in the quantum regime that were constructed from elementary building blocks that contain “halide-staples”. This study presents different orientations of the “halide-staple” motifs on …

Contrasting Seasonal Cycling Of Arsenic In A Series Of Subarctic Shield Lakes With Different Morphometric Properties, Jeremy Harbinson

Theses and Dissertations (Comprehensive)

The subarctic shield near Yellowknife, Northwest Territories (NWT), is populated with thousands of small lakes (<1.5 km²) and several large lakes. Historic mining activities in the region have left a legacy of environmental impacts and widespread arsenic (As) contamination in both aquatic and terrestrial environments. In particular, several small subarctic lakes near Yellowknife have been previously documented to be contaminated with high levels of As. Subarctic lakes are characterized by seasonal ice-cover that can persist for more than half of the year, yet little is known about the under-ice spatial and seasonal dynamics of As cycling. The objective of …

Mechanistic Studies Of Co2 Electrochemical Reduction (Co2er) On Cu And Cuo Nanoparticles With In-Situ Atr-Ftir Spectroscopy, Jason Hsu

Theses and Dissertations (Comprehensive)

Global climate change is a major challenge facing the world in the 21st century. This environmental crisis originated from excess amounts of atmospheric carbon dioxide (CO2) released from burning fossil fuels. One promising remediation method to decrease atmospheric CO2 levels is called carbon dioxide electrochemical reduction (CO2ER). In CO2ER, the CO2 gas undergoes chemical reduction to other hydrocarbon fuels. For CO2ER to take place, an energy source and a catalyst are needed. In this thesis, three aspects of CO2ER were investigated using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy coupled with other surface sensitive characterization tools. First, we studied …

Enzymatic Removal Of Diclofenac And Aceclofenac From Synthetic Wastewater By Soybean Peroxidase, Sarah Pishyar

Electronic Theses and Dissertations

Pharmaceutical medications that are a class of emerging contaminants have been detected in wastewater treatment facilities' influent and effluent, and they have reached water sources in amounts ranging from ng/L to ug/L. They threaten the environment and non-target life. Soybean peroxidase (SBP)-catalyzed process was studied to remove two non-steroidal anti-inflammatory drugs (NSAIDS) diclofenac and aceclofenac through enzymatic oxidation from synthetic wastewater. SBP can be extracted from soybean hulls, a by-product of the soybean industry. First, the experiments studied the viability of SBP-catalyzed removal on these two compounds, then the operational parameters including pH, the molar ratio between hydrogen peroxide and …

Functional Characterization Of Hodi, A Dead-Box Rna Helicase In Toxoplasma Gondii, Using Rna-Protein Tethering Assay, Ronaldo Eid

Electronic Theses and Dissertations

Toxoplasma gondii, an obligate intracellular apicomplexan parasite, is the causative agent of toxoplasmosis which has serious complications in immunocompromised individuals and in offspring of infected mothers. Central to the parasite’s pathogenesis and transmission is its adaptation to various forms of cellular stress. A conserved stress response by Toxoplasma gondii is translational control induced by phosphorylation of TgIF2α, during which non-translating mRNAs accumulate in messenger ribonucleoprotein (mRNP) granules that disassemble upon stress relief. DEAD-box RNA helicases are candidates involved in the regulation of mRNP granules and also function in translational control. In this study, it was shown that the flanking …

Sediment Microbial Community Diversity And Function In Response To Legacy And Prevailing Pollutants In Southern Ontario Watersheds, Nicolas Falk

Electronic Theses and Dissertations

Managing and mitigating point and non-point contamination to freshwater resources depends on reliable and sensitive monitoring of ecosystem health. Microorganisms in surface waters and sediments respond rapidly to anthropogenic disturbances, making them valuable bioindicators of human-induced landscape change. However, there lacks a baseline understanding of microbial community composition and function in industrially and agriculturally impacted regions of the Great Lakes. Without a reference state of microbial diversity and activity, future investigations seeking to integrate microorganisms into ecosystem assessments will lack context. Using genomic tools and measurements of chemical and nutrient contaminants, this thesis provides case studies of microbial community responses …

Mechanistic Study Of The Conductance And Enhanced Single-Molecule Detection In A Polymer-Electrolyte Nanopore, Fabio Marcuccio, Dimitrios Soulias, Chalmers C.C. Chau, Sheena E. Radford, Eric Hewitt, Paolo Actis, Martin Andrew Edwards

Chemistry & Biochemistry Faculty Publications and Presentations

Solid-state nanopores have been widely employed in the detection of biomolecules, but low signal-to-noise ratios still represent a major obstacle in the discrimination of nucleic acid and protein sequences substantially smaller than the nanopore diameter. The addition of 50% poly(ethylene) glycol (PEG) to the external solution is a simple way to enhance the detection of such biomolecules. Here, we demonstrate with finite-element modeling and experiments that the addition of PEG to the external solution introduces a strong imbalance in the transport properties of cations and anions, drastically affecting the current response of the nanopore. We further show that the strong …

Facile Synthesis Of Nite2-Co2Te2@Rgo Nanocomposite For High-Performance Hybrid Supercapacitor, Maziar Farshadnia, Ali A. Ensafi, Kimia Zarean Mousaabadi, Behzad Rezaei, Muslum Demir

Chemistry & Biochemistry Faculty Publications and Presentations

The design of bimetallic tellurides that exhibit excellent electrochemical properties remains a huge challenge for high-performance supercapacitors. In the present study, tellurium is consolidated on CoNi₂@rGO for the first time, to synthesize NiTe₂-Co₂Te₂@rGO nanocomposite by using a facile hydrothermal method. As-prepared NiTe₂-Co₂Te₂@rGO nanocomposite was characterized by EDS, TEM, FESEM, Raman, BET, XRD, and XPS techniques to prove the structural transformation. Upon the electrochemical characterization, NiTe₂-Co₂Te₂@rGO has notably presented numerous active sites and enhanced contact sites with the electrolyte solution during …

The Kappa Opioid Receptor: Candidate Pharmacotherapeutic Target For Multiple Sclerosis, Brian Reed, Surya Dutta

Faculty Works: BCES (1999-2023)

Multiple sclerosis (MS) afflicts millions of people worldwide. While multiple therapeutics have recently been developed and approved as treatment agents, they are not 100% effective. Recent developments investigating the endogenous opioid system involvement in MS has revealed that agonists of the kappa opioid receptor (KOR) have beneficial effects in both animal models of MS (and demyelinating disorders more generally) as well as in vitro models of remyelination. Several groups have contributed to this development. We summarize here the findings of these published studies, with comparisons of the effects and discussion of similarities and differences. The effects of KOR agonists involve …

Modulating Photochemical Properties To Enhance The Stability Of Electronically Dimmable Eye Protection Devices, Sruthy Baburaj, Jayachandran Parthiban, Sarvar Aminovich Rakhimov, Rasheedah Johnson, Ludmila Sukhomlinova, Paul Luchette, Steffen Jockusch, Malcolm D. E. Forbes, Jayaraman Sivaguru

Chemistry Faculty Publications

The study evaluates compatibility of stabilizers with dye doped liquid crystal (LC) scaffolds that are used in electronically dimmable materials. The photodegradation of the materials was investigated and suitable stabilizers were evaluated to slow the degradation process. Various types of benzotriazole-based stabilizers were evaluated for stabilizing the liquid crystals. Based on spin trapping experiments, radicals generated upon UV exposure is likely responsible for the degradation of the system. The radical generation is competitively inhibited by the addition of stabilizers.

Abbreviations: LC, liquid crystal; STB, stabilizers.

Chitosan Blending With Water-Soluble Polymers As Dissolving Microneedles For Controlled Drug Release, Fuad Abdullah Farhan Saleh

Chulalongkorn University Theses and Dissertations (Chula ETD)

Chitosan has gained significant interest due to its ability to film-forming, biodegradability, and biocompatibility, making it suitable for topical and transdermal drug delivery such as fabricating microneedles. In this study, chitosan microneedles were prepared by incorporating polyvinylpyrrolidone (PVP) and polyvinyl alcohol (PVA) in three different ratios (1:1, 2:1, and 3:1 chitosan: polymers) to control drug release. The microneedles were fabricated using a molding method, their mechanical properties were tested using the universal testing machine (UTM), and their skin penetration ability was tested using pig skin (ex vivo). The results indicated that the microneedles exhibited sufficient strength to penetrate the outer …

การพัฒนาบล็อกคอนกรีตปูพื้นจากกากของเสียในกระบวนการเผาไหม้แบบฟลูอิไดซ์เบด, ณัฐวรรณ ดวงแก้ว

Chulalongkorn University Theses and Dissertations (Chula ETD)

งานวิจัยนี้ศึกษาการใช้ประโยชน์เถ้าลอย และทรายของเสีย (ขนาดละเอียดและหยาบ) จากกระบวนการเผาไหม้แบบฟลูอิไดซ์เบดเพื่อนำความร้อนมาใช้ในการอบแห้งในกระบวนการผลิตกระดาษ มาใช้เป็นวัตถุดิบในการเตรียมบล็อกคอนกรีต 2 ประเภทวัสดุ คือ คอนกรีตฐานปูนซีเมนต์ปอร์ตแลนด์ และคอนกรีตฐานจีโอพอลิเมอร์ สำหรับการเตรียมคอนกรีตฐานปูนซีเมนต์ปอร์ตแลนด์ ได้ศึกษาผลของการใช้เถ้าลอยทดแทนส่วนของปูนซีเมนต์ปอร์ตแลนด์ (วัสดุประสาน) และศึกษาอัตราส่วนของทรายของเสีย (มวลรวม) ต่อวัสดุประสาน ที่มีต่อสมบัติของคอนกรีต ขึ้นรูปด้วยวิธีการอัด บ่มชิ้นงานเป็นเวลา 1 7 และ 28 วัน พบว่าตัวอย่างที่มีเถ้าลอยทดแทนปูนซีเมนต์ปอร์ตแลนด์ร้อยละ 15 โดยน้ำหนักของวัสดุประสาน และมีอัตราส่วนของ มวลรวมต่อวัสดุประสาน เท่ากับ 1:1 โดยน้ำหนัก ที่อายุ 7 วัน มีค่ากำลังอัด 45 MPa เป็นไปตามมาตรฐาน มอก.827-2531 นอกจากนั้นยังได้นำส่วนผสมดังกล่าวมาเตรียมบล็อกประสานปูพื้นฐานปูนซีเมนต์ปอร์ตแลนด์ที่มีขนาดและรูปทรงตามมาตรฐานดังกล่าวด้วยเครื่องผลิตบล็อกคอนกรีต พบว่าสามารถเตรียมบล็อกประสานปูพื้นฐานปูนซีเมนต์ปอรต์แลนด์ที่มีเถ้าลอยทดแทนส่วนของปูนซีเมนต์ปอร์ตแลนด์ได้ ในส่วนของการศึกษาความเป็นไปได้ในการผลิตบล็อกฐานจีโอพอลิเมอร์เป็นการทดลองเตรียมจีโอพอลิเมอร์แบบส่วนเดียว โดยใช้เถ้าลอยร่วมกับสารแอลคาไลซึ่งประกอบด้วย โซเดียมซิลิเกตและโซเดียมไฮดรอกไซด์ (วัสดุประสาน) และผสมกับมวลรวมในสัดส่วนของวัสดุประสานต่อมวลรวมเท่ากับ 1:1 เช่นเดียวกับการเตรียมบล็อกคอนกรีตฐานซีเมนต์ ใช้อัตราส่วนผสมน้ำต่อวัสดุประสานเท่ากับ 0.31 ขึ้นรูปด้วยวิธีการอัด โดยศึกษาผลของสัดส่วนของเถ้าลอยต่อสารอัลคาไล และสัดส่วนของโซเดียมซิลิเกตต่อโซเดียมไฮดรอกไซด์ ที่มีต่อสมบัติของคอนกรีต พบว่าชิ้นงานที่ใช้เถ้าลอยร้อยละ 80 โดยน้ำหนักของวัสดุประสาน และใช้สารอัลคาไล (โซเดียมซิลิเกตต่อโซเดียมไฮดรอกไซด์เท่ากับ 60:40 โดยน้ำหนัก) ร้อยละ 20 โดยน้ำหนักของวัสดุประสาน ที่อายุ 28 วัน มีกำลังอัด 5.45 MPa ซึ่งเป็นค่าที่ต่ำกว่าค่าตามมาตรฐาน มอก.827-2531 จึงไม่สามารถใช้ทำบล็อกประสานปูพื้นได้ แต่ค่ากำลังอัดของบล็อกฐานจีโอพอลิเมอร์ก็สูงมากพอสำหรับผลิตบล็อกกลวงไม่รับน้ำหนักตาม มอก.58-2560

การผลิตไฮโดรเจนจากน้ำกากส่าด้วยตัวเร่งปฏิกิริยาเชิงแสงไทเทเนียมไดออกไซด์เจือทอง, ภาณุวัฒน์ วงษ์ยงน้อย

Chulalongkorn University Theses and Dissertations (Chula ETD)

งานวิจัยนี้ศึกษาการผลิตไฮโดรเจนและการลดสีจากน้ำกากส่าจากอุตสาหกรรมผลิต เอทานอล โดยใช้ตัวเร่งปฏิกิริยาเชิงแสงไทเทเนียมไดออกไซด์เจือ ทอง (Au/TiO2) ตัวแปรที่ศึกษาคือ ร้อยละโดยน้ำหนัห ของ Au ต่อ TiO2 ที่ 0.1 0.3 0.5 และ 0.7 การเจือจางสารละลายน้ำกากส่า ที่ 0 50 100 และ 150 เท่า ร้อยละโดยปริมาตรของสารล่าโฮล ในช่วง 10 15 และ 20 และปริมาณตัวเร่งปฏิกิริยาเชิงแสงต่อปริมาตรสารละลาย ในช่วง 2 3 4 และ 5 กรัมต่อลิตร พบว่าตัวเร่งปฏิกิริยาที่ร้อยละ 0.3 โดยน้ำหนัก ของ Au ต่อ TiO2 (0.3Au/TiO2) สามารถผลิตไฮโดรเจนได้มากที่สุดคือ 210 ไมโคร โมลต่อกรัม และการลดสีร้อยละ 64.4 ที่ภาวการณ์เจือจางสารละลายน้ำกาก ส่า 100 เท่า ปริมาณของสารล่าโฮลชนิดเอทานอลที่ร้อยละ 15 โดยปริมาตร ปริมาณ ตัวเร่งปฏิกิริยา 3 กรัมต่อลิตร และความเข้มแสง 4.5 มิลลิวัตต์ต่อตาราง เซนติเมตร เนื่องจากทองที่เติมสามารถลดแถบช่องว่างพลังงานของ TiO2 ทำให้ สามารถดูดกลืนแสงได้กว้างขึ้นทั้งช่วงของแสงยูวีและแสงที่ตามองเห็นได้ อีกทั้ง โลหะที่สัมผัสกับสารกึ่งตัวนำ จะสร้างกำแพงชอทท์กี้จึงสามารถลดการรวมกลุ่มของ คู่อิเล็กตรอนและโฮล และทำหน้าที่เป็นตัวเร่งปฏิกิริยาร่วมในการผลิตไฮโดรเจนและ ลดสีได้

Structural Engineering Of Thermostable Fluorescent Proteins Tgp-E And Ytp-E And Crystal Structure Of Tgp-E, Matthew Ryan Anderson

MSU Graduate Theses

Thermostable fluorescent proteins, such as thermal green protein (TGP) and yellow thermal protein (YTP), could be used as biosensors to monitor cellular activity and as a fusion tag to monitor a protein of interest. The use of fluorescent proteins can sometimes be limited in certain organelles with low pH and in thermophilic organisms. This research aims to improve the thermal stability of TGP and YTP. TGP was created from a synthetically derived eCGP123 protein to improve solubility by substituting residues on the positively charged b- barrel surface with negatively charged glutamate (E) at Los Alamos National Lab. YTP was developed …

Impact Of Sample Conditions On Dna Phosphodiester Backbone Bi/Bii Conformational Equilibrium Dynamics, Autumn C. Pilarski

MSU Graduate Theses

DNA damage, such as single base lesions and mismatches, is highly prevalent within cells. If these DNA damage events are not repaired, they could lead to mutations and thus disease and cancer. Intricate repair mechanisms are in place to fix these damage events, one such being Base Excision Repair (BER) and associated enzyme: Thymine DNA Glycosylase (TDG). The first step of this repair process, recognition of the lesion by TDG, is not well understood. The following thesis presents results to better understand the fundamental biophysical question of how a DNA lesion within a mismatch context is recognized in a million …

Computational Comparison Of Platinum, Base Metals, And Binary Intermetallic Compounds’ Efficiency In Hydrogenation Catalysis, Lauren M. Sayler

MSU Graduate Theses

In the petroleum industry, platinum is used as a catalyst in hydrogenation reactions during petroleum refining. Although platinum is extremely effective as a catalyst, it is expensive. This is an investigation into platinum and what characteristics make it so efficient, with the end goal of finding intermetallic compounds composed of base metals that are as effective in hydrogenation catalysis. The metals used in this investigation are Fe, Co, Ni, Mo, and W. The research performed here is computational and used to support and direct decisions made in the laboratory. The computation is first-principle, which is accomplished using Vienna Ab initio …

Renewable Fuels: Molecular Dynamics Investigations Into Pyrolysis Of Methyl Linoleate, Elson Osakpolor Eguaosa

MSU Graduate Theses

With the rapid depletion of the world’s supply of fossil fuels, especially petroleum products, petroleum prices have risen by approximately 800% between the 1970s and now and are projected to continue rising. It is also expected that the world’s consumption of energy will increase commensurate with its growing population. Although biodiesel is a good renewable alternative, it has its limitations including high production costs and poor low-temperature performance. We seek to improve conventional biodiesel with pyrolysis to produce low molecular-weight compounds with high energy densities. Understanding the pyrolysis path on the atomic scale is key as it will allow us …

Development Of Novel Cellular Assay Model And Therapeutic Deep Eutectic Solvents To Optimize The Activity Of Anticancer Agents, Nizam Uddin

Electronic Theses and Dissertations

Multidrug resistance (MDR) is the major burden behind chemotherapeutic treatment failure. It is the principal mechanism by which cancer cells evade chemotherapeutic treatment. As a result, aggressive cancer cells survive and continue uncontrolled cell division. Multidrug resistance affects survival rate of almost all types of cancer patients and death toll rises at an alarming rate. There are seven different mechanisms for evolving MDR. The most common mechanism in efflux activity of overexpressed ABC transporters. MRP1 is a prominent ABC transporter that pumps out a wide variety of anticancer drugs from the cells and thereby reduces intracellular drug concentrations and develops …

Design, Synthesis, And Biological Evaluation Of Novel Steroidal Analogs: Potential Anticancer Agents, Trevor Ostlund

Electronic Theses and Dissertations

Cancer is a malicious disease with low survivability rates primarily due to lack of reliable treatment options. Treatments are often non-specific for patients, and cancer resistance to treatment is becoming more prevalent as fast as new therapies are created. Previous studies in our laboratory have focused on the Epidermal Growth Factor Receptor (EGFR) and its downstream kinase family members as a key target for cancer. This cascade controls cell proliferation, anti-apoptotic effects, cell regulation, and other survival factors. Additionally, ABC transporters, responsible for efflux of chemotherapeutic material from cells, are key targets to combat drug resistance. We first evaluated a …

Cytotoxicity Profiling And Apoptotic Potential Of Carboxylic Acids-Based Deep Eutectic Solvents On Mammalian Cell Lines, Mavis Korankye

Electronic Theses and Dissertations

In the past few years, there has been a notable surge in demand for high-purity medicines due to the prevalence of chronic diseases such as cancer, hypertension, diabetes, cardiovascular diseases, and neurological disorders. Considerable efforts have been dedicated to discovering new solvents that are environmentally friendly and cost-effective that are well-suited for industrial applications. Deep eutectic solvents have gained recognition as a highly promising alternative to organic solvents and ionic liquids due to their easily sourced raw materials, simple and cheap preparation methods, high tunability, low volatility, low toxicity, and biodegradability. The industrial utilization of deep eutectic solvents (DESs) is …

Advanced Analytical Techniques For The Analysis Of Toxic Inhaled Agent Exposure And Pharmacokinetic Investigation, Sharmin Sultana

Electronic Theses and Dissertations

Toxic inhalation agents (TIAs) (i.e., chlorine (Cl2), cyanide (HCN), etc.) are highly poisonous. However, they have a variety of industrial uses, such as health, agro-food, building, textiles, transport, leisure activities, cosmetics, etc. In addition, TIAs can be used as chemical agents in terrorist events or conventional warfare. The ability to detect TIAs in biological and environmental samples is important for preparing use, determining individual exposure, limiting hazardous exposure, etc. Therefore, developing simple and sensitive analytical methods for TIAs, TIA metabolites, and antidotes for those toxic agents is very important. The focus of this study was chlorine and cyanide. Chlorine is …

Synthesis And Kinetic Investigation Of Oxidation In A Palladium-Methyl System, Richard A. Cardrino , '23

Senior Theses, Projects, and Awards

The current industrial syngas process for transforming methane to methanol is an indirect process that requires the initial oxidation of methane to carbon monoxide with a subsequent reduction to form methanol under high pressure and temperature conditions. An alternative green chemical process is desirable, especially one that directly oxidizes gaseous methane to liquid methanol under mild conditions with an environmentally benign oxidant, such as dioxygen. The current study investigates the synthesis of a novel palladium complex with activated methane and the selective oxidation of this complex resulting in the liberation of methanol under more ambient conditions, a model system for …

A Computational Study Of The Copper-Catalyzed Trifluoromethylation Of Boronic Acids, Kevin Nyhuis

Theses, Dissertations and Culminating Projects

This work is a computational study of a reaction mechanism for the trifluoromethylation of boronic acids. Three steps of the proposed reaction mechanism are studied, •CF₃ addition to a copper catalyst center, base promoted transmetalation between copper and aryl boronic acid, and bond forming reductive elimination in which the CF₃ and aryl substituent form a bond. Limited information is known about this mechanism. This study uses computational methods to attempt to elucidate the mechanism and provide the groundwork for potential improvement. Quantum chemical methods in conjunction with tight-binding based conformational sampling methods are used to investigate the possible …

Coconut Shell Waste Treatment Technology For A Sustainable Waste Utilization: A Case Study Of The Smes In Bohol Village, Indonesia, Wahyu Anggo Rizal, Ria Suryani, Roni Maryana, Dwi Joko Prasetyo, Diah Pratiwi, Yuli Ary Ratnawati, Dini Ariani, Andri Suwanto

ASEAN Journal of Community Engagement

This project focused on the introduction of liquid smoke and bio briquette manufacturing technology to small and medium enterprises (SMEs) located in Bohol Village, Gunungkidul, Indonesia through technology transfer, training, and mentoring. These SMEs are engaged in the food business with the main product jenang ketan, a traditional food from Gunungkidul, especially in Rongkop District, and very popular among communities around and outside Gunungkidul. The traditional preparation of jenang ketan produces several by-products in the form of waste, which is dominated by coconut shell biomass. The project’s technology transfer was carried out through the procurement of a series of pyrolysis …

Combustion Soot Nanoparticles: Mechanism Of Restructuring And Mechanical Properties, Ali Hasani

Dissertations

Soot, a product of incomplete combustion of fossil fuels, is a global warming agent. The effect of soot particles on climate depends on their morphology. Freshly released soot particles are fractal lacey aggregates, but they often appear collapsed in atmospheric samples collected away from emission sources. A body of work has concluded that the collapse is caused by liquid shells when they form by vapor condensation around soot aggregates. However, some recent studies argue that soot remains fractal even when engulfed by the shells, collapsing only when the shells evaporate. To reconcile this disagreement, the effects of the condensation and …

Non-Traditional Methods For The Green Synthesis Of Fine Chemicals, Tara Renée Mooney

Graduate Masters Theses

Herein, the advancement of microwave-assisted flow synthesis is reviewed and the green nitration of arenes is investigated. First, microwave-assisted flow systems are described, followed by their synthetic and environmental applications. Microwave-assisted flow synthesis has been applied successfully in organic, inorganic, material, and biochemical syntheses as well as environmental applications such as water desalination and the removal of volatile organic compounds from the atmosphere. In the second part of the Thesis, the methodological development of the first catalyst and solvent-free nitration of m-xylene using only nitric acid is detailed. This environmentally friendly reaction proceeds without the use of harsh Brønsted acids, …

Palladium (Ii)-Catalyzed Selective Reduction Of 4’-(Phenylethynl)Acetophenone In The Presence Of A Formic Acid-Triethylamine Mixture, Suzanne Chayya, Akram Hijazi, Anis Daou, Ali Alaaeddine, Mohamad Sakr, Ghassan Younes, Mohammad El-Dakdouki

BAU Journal - Science and Technology

An efficient and straightforward palladium acetylacetonate-catalyzed hydrogen transfer of 4'- (phenylethynyl)acetophenone was developed in this study. Formic Acid was found to be the best hydrogen source in this catalytic system in the presence of triethylamine. Excellent conversions and selectivity were obtained in reducing the starting internal aromatic alkyne to either (E)-1-(4- styrylphenyl)ethanone or an interesting cyclic product, 1-(phenanthrene-3-yl)ethenone, over the ketone functional group present. Over-reduction was rarely seen. The reaction conditions were optimized in terms of the choice of the palladium catalyst, temperature, solvent, and the H-donor/base combination. Using this catalytic system, a one-step synthetic pathway of the …