Chemistry Commons^™

Experimental Evaluation Of A Recrosslinkable Co2-Resistant Micro-Sized Preformed Particle Gel For Co2 Sweep Efficiency Improvement In Reservoirs With Super-K Channels, Adel Alotibi, Tao Song, Ali Al Brahim, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

A recross linkable CO₂-resistant branched preformed particle gel (CO₂-BRPPG) was developed for controlling CO₂ injection conformance, particularly in reservoirs with super-permeable channels. Previous work focused on a millimeter-sized CO₂-BRPPG in open fractures, but its performance in high-permeability channels with pore throat networks remained unexplored. This study used a sand pack model to evaluate a micro-sized CO₂-BRPPG under varying conditions of salinity, gel concentration, and pH. at ambient conditions, the equilibrium swelling ratio (ESR) of the gel reached 76 times its original size. This ratio decreased with increasing salinity but remained stable …

Sufex-Enabled Stereospecific Deoxygenative Diversification Of Alcohols, Amaechi Odoh

All Dissertations

Alcohols represent an important class of functional group in organic synthesis and medicinal chemistry, given that they are structurally diverse and prevalent in many natural products, biomolecules and renewable feedstocks. As such, they are highly attractive precursors for building-block synthesis, late-stage functionalization, and numerous synthetic transformations. However, existing strategies for the deoxygenative diversification of alcohols operate under constrained conditions, often leading to competing pathways (such as elimination), poor stereospecificity, low efficiencies, and limited substrate compatibility. To address these challenges, we have developed a conceptually novel use of sulfonyl fluorides as bifunctional reagents for the one-step deoxygenative diversification of complex alcohol …

Composites Developed By The Reaction Of Elemental Sulfur With Biologically Derived Fats And Oils, Katelyn Tisdale

All Dissertations

Human civilization’s modern infrastructure relies mainly on cement and petrochemical products. However, the production of these building materials have harmful ecological effects such as green gas emissions, therefore intensifying the need to develop alternative, sustainable structural materials from renewably sourced or waste material precursors. The work presented herein investigates various biomass derived resources that serve as the olefin source for reaction with elemental sulfur, another abundant waste source, via inverse vulcanization to form high strength composites competitive with that of traditional building materials.

Chapter one reviews various techniques that have been developed and executed in an effort towards lignin valorization …

Influence Of Glycopolymer Structure On Amphiphilic, Hybrid, Linear Branched Block Copolymer Properties For Use In Biomedical Applications, Kevin Green

Dissertations

The focus of this dissertation is evaluating and adding fundamental knowledge regarding the structure-property relations of glycopolymers used in the design of hybrid block copolymers (HBC) that are cable of self-assembling into delivery vehicles for biomedical applications. A shift to the utilization of natural materials in the design and fabrication of drug-delivery vehicles has garnered significant attention. Understanding the effects of linear glycopolymers content and composition on the resulting HBCs properties can provide valuable insight into how these materials may be tailored for use in targeted biological applications.

The first chapter introduces current literature on the need for improvement in …

Understanding Defect Dynamics In Black Phosphorene Under Noble Gas Ion Irradiation., Saransh Gupta

Electronic Theses and Dissertations

Controlled introduction of defects in phosphorene using high-energy ion beams offers a promising route to design novel high-performance materials for energy technologies. However, this potential remains underexplored due to a lack of fundamental understanding of the atomic-scale mechanisms governing the production, accumulation, and temporal evolution of defects during ion irradiation. Here, we employ a combination of classical and ab initio molecular dynamics simulations to elucidate the effects of ion energy, angle of incidence, noble gas ion size/mass, and fluence on (a) defect generation (i.e., point defects, topological imperfections, voids), (b) atomic-scale mechanisms of defect formation and re-arrangement, and (c) defect …

Density Functional Theory And Machine Learning Analysis Of C—C Reductive Coupling From Terminal Cyanido And Cyaphido Complexes, Roberto Magdiel Escobar

Theses and Dissertations

Carbon–carbon (C–C) bond activation has gained increased attention as a direct method for the synthesis of pharmaceuticals and industrial chemistry. Due to the thermodynamic stability and kinetic inaccessibility of the C–C bonds, however, activation of C–C bonds by homogeneous transition-metal catalysts under mild homogeneous conditions is still a challenge. Most of the systems in which the activation occurs either have aromatization or relief of ring strain as the primary driving force. The activation of unstrained C–C bonds of phosphaalkynes does not have this advantage. This study employs Density Functional Theory (DFT) calculations using the Gaussian16 package to elucidate and compare …

Assessing Reproducibility Challenges In Clinical Metabolics, Darcy Lin Cochran

Dissertations and Doctoral Documents, University of Nebraska-Lincoln, 2023–

Current metabolomics research is expanding to be multiplatform and interdisciplinary. Metabolomic analysis has the potential to provide detailed insight into any biological system of interest to analyze the underlying molecular mechanisms of variables like environment, disease, and genetics. Human clinical metabolomics is a major research area that is often focused on finding biomarkers or panels of biomarkers for different diseases. However, results are difficult to compare across different laboratories since the field of metabolomics has yet to widely adopt best practices for sample preparation, data acquisition and data processing, results are difficult to compare across different laboratories.

This thesis focuses …

Thermal Conductivity Characterization Of High Oleic Vegetable Oils Based Hybrid Nanofluids Formulated Using Gnp, Tio2, Mos2, Al2o3 Nanoparticles For Mql Machining, Anthony Chukwujekwu Okafor, Tobechukwu Kingsley Abor, Saidanvar Esanjonovich Valiev, Ignatius Echezona Ekengwu, Abiodun Saka, Monday Uchenna Okoronkwo

Chemical and Biochemical Engineering Faculty Research & Creative Works

This paper presents the results of thermal conductivity characterization of six high oleic soybean oil (HOSO) and four high oleic canola oil (HOCO)-Based hybrid nanofluids formulated with four types of nanoparticles (Graphene nanoplatelet (xGnP), TiO₂, MoS₂, and Al₂O₃) at nanoparticles wt.% concentration from 1 % to 7 % in 1 % increment using the two-step method for use in MQL machining of difficult-to-cut metals. Thermal conductivity of the formulated hybrid nanofluids were measured using Thermtest Transient Hot Wire Liquid Thermal Conductivity Meter at temperatures from 25 °C to 75 °C in increment …

Optimization And Purification Of Magnesium Borides Fabricated By Combustion Synthesis And By High-Temperature Sintering, Miguel Joaquin Camarena

Open Access Theses & Dissertations

Hydrogen as a fuel provides several benefits over the use of fossil fuels; however, one challenge in utilizing hydrogen as an energy carrier revolves around its storage. Achieving sufficient volumetric hydrogen density in a storage solution will facilitate hydrogenâ??s adoption for use in both stationary and mobile applications. Solid-state hydrogen storage provides a promising pathway to solving this problem. However, the hydrogenation of these materials is characterized by slow kinetics and extreme thermodynamic conditions. Magnesium borohydride (Mg(BH4)2) is a promising material in hydrogen storage due to its reversible properties and a theoretical hydrogen capacity of 14.9 wt.%. To synthesize this …

Functionalized Carbon Quantum Dots: A Promising Nanomaterial For Investigating Their Potential In Neurodegenerative Disease Treatment, Sherin M. El Morsy

Open Access Theses & Dissertations

Neurodegenerative diseases such as Parkinson's Disease (PD), Alzheimer's Disease (AD), and Huntington's Disease (HD) remain incurable, despite extensive research into therapeutic development. In the United States of America, the annual cost of PD and AD in terms of patient care and lost productivity is approximately $200 billion. Consequently, there is a critical and unaddressed need for the development of innovative drugs and drug delivery systems that can decelerate, stop, or ideally reverse neurodegenerative diseases. The dissertation presented here focuses on devising strategies to target PD through multiple mechanisms, including the inhibition of protein aggregation and the reduction of oxidative stress. …

Evaluation Of Polymerization Condition Reactions Of Methyl Vinyl Ketone For Hydrogen Storage, Rituborna Ghosh

Theses and Dissertations

Hydrogen is widely regarded as one of the most promising clean alternative fuel sources; however, its widespread adoption has been hindered by significant challenges related to storage and transportation. Various storage methods have been proposed and developed, with continuous advancements being made to address these issues. Among the most effective solutions is the utilization of polymers, which serve as safe and efficient hydrogen storage media. This work investigated the polymerization of methyl vinyl ketone using different ratio of monomer: initiator and monomer: crosslinker using N,N′-methylenebisacrylamide (MBA) as crosslinker and ammonium persulfate (APS) as initiator in a free radical polymerization mechanism. …

Physicochemical Property Effects On Immune Modulating Polymeric Nanoparticles: Potential Applications In Spinal Cord Injury, Daniel J. Kolpek, Jaechang Kim, Hisham Mohammed, John C. Gensel, Jonghyuck Park

Markey Cancer Center Faculty Publications

Nanoparticles (NPs) offer promising potential as therapeutic agents for inflammation-related diseases, owing to their capabilities in drug delivery and immune modulation. In preclinical studies focusing on spinal cord injury (SCI), polymeric NPs have demonstrated the ability to reprogram innate immune cells. This reprogramming results in redirecting immune cells away from the injury site, downregulating pro-inflammatory signaling, and promoting a regenerative environment post-injury. However, to fully understand the mechanisms driving these effects and maximize therapeutic efficacy, it is crucial to assess NP interactions with innate immune cells. This review examines how the physicochemical properties of polymeric NPs influence their modulation of …

Unraveling Phytosulfokine Trafficking In Arabidopsis Thaliana Using Fiber-Optic Fluorescence Microscopy, Issaka Obuaba

Electronic Theses and Dissertations

As sessile organisms, plants manage stress through complex signaling networks involving phytohormones such as phytosulfokine (PSK). PSK, a disulfated pentapeptide, regulates plant growth, development, and stress responses by interacting with specific PSK receptors (PSKRs). In this study, we explored the trafficking dynamics of PSK, its post-application fate, and the synthesis of an analog. We administered both native PSK and a fluorescent version tagged with TAMRA (5(6)-carboxytetramethylrhodamine) to various Arabidopsis thaliana genotypes, including wild type, a PSKR-deficient mutant, and a strain overexpressing PSKR1 tagged with green fluorescent protein (GFP) over the wild-type background. Fiber-optic fluorescence microscopy revealed that receptor presence influences …

Investigating Phytosulfokine Trafficking: Insights Into The Role Of Phytohormones In Plant Signaling, Martin Tindi

Electronic Theses and Dissertations

Phytosulfokine is a critical signaling peptide involved in plant growth, development, and stress responses. This thesis investigates the trafficking mechanisms of Phytosulfokine (PSK) in Arabidopsis thaliana, employing fluorescently labelled PSK for non-destructive imaging using a custom-built fiber-optic fluorescence microscope. The study aims to determine the mobility and fate of PSK in plant tissues. Experimental results reveal the short-range and long-range movement of PSK across leaves. Additionally, the project highlights the optimization of non-destructive imaging techniques and the synthesis of caged dexamethasone to facilitate optogenetic studies. These findings provide new insights into PSK trafficking mechanisms in plants, enhancing our understanding …

Liquid Chromatography-Mass Spectrometry Based Metabolomics, Lipidomics And Epitranscriptomics., Raobo Xu

Electronic Theses and Dissertations

Metabolomics and lipidomics are the comprehensive studies of metabolites and lipids in cells, biological fluids, tissues, or organisms. These distinct chemical fingerprints are left behind by cellular processes. Epitranscriptomics is the field that focuses on examining chemical modifications on RNA molecules at the transcriptome level. Liquid chromatography-mass spectrometry (LC-MS) has been widely used in those omics studies. In this dissertation, I developed and applied both untargeted and targeted approaches using LC-MS based various analytical platforms to conduct omics studies. Firstly, I investigated caffeine metabolites in human urine and discovered three potential functional biomarkers to differentiate the stages of alcohol-associated liver …

Nickel Electrocatalysts On Carbon Supports For The Hydrogen Evolution Reaction., Mohan Paudel

Electronic Theses and Dissertations

Hydrogen is an important energy storage alternative to fossil fuels due to its high energy density. Currently, most hydrogen is produced through petroleum feedstocks, which produce large amounts of carbon dioxide. However, a more eco-friendly method is the electrocatalytic splitting of water into hydrogen and oxygen. Efficient catalysts for the hydrogen evolution reaction (HER) are typically platinum group metals, which are rare and expensive. There is growing interest in developing HER electrocatalysts with earth-abundant metals for water electrolysis. Nickel, which lies in the same group in the periodic table as Pt and has similar chemical properties, is explored extensively for …

Phytoplankton Responses To Changing Irradiance And Carbon Fertilization, Alison Siersma

Graduate Theses and Dissertations (2019 - present)

Phytoplankton play a crucial role in marine ecosystems due to their innate ability to fix carbon. As atmospheric CO2 levels continue to rise from fossil fuel combustion, the resulting increase in dissolved CO2 and the concurrent decrease in ocean pH are likely to impact the phytoplankton community. The response of phytoplankton to elevated CO2 can vary significantly among species and environmental conditions (e.g. light, temperature, nutrient availability). To address these variations, an experiment was conducted using a controlled photobioreactor system, maintaining high and low light, constant temperature, nutrient levels, and two pCO2 concentrations. This study focused on two regionally relevant …

Aars Online: A Collaborative Database On The Structure, Function, And Evolution Of The Aminoacyl-Trna Synthetases, Jordan Douglas, Haissi Cui, John J. Perona, Oscar Vargas-Rodriguez, Henna Tyynismaa, Claudia Alvarez Carreno, Jiqiang Ling, Lluis Ribas De Pouplana, Xiang-Lei Yang, Multiple Additional Authors

Chemistry Faculty Publications and Presentations

The aminoacyl-tRNA synthetases (aaRS) are a large group of enzymes that implement the genetic code in all known biological systems. They attach amino acids to their cognate tRNAs, moonlight in various translational and non-translational activities beyond aminoacylation, and are linked to many genetic disorders. The aaRS have a subtle ontology characterized by structural and functional idiosyncrasies that vary from organism to organism, and protein to protein. Across the tree of life, the 22 coded amino acids are handled by 16 evolutionary families of Class I aaRS and 21 families of Class II aaRS. We introduce AARS Online, an interactive Wikipedia-like …

Synthesis Of Chemical Fuels And Feedstocks From Co2 For Extraterrestrial Applications, Samuel Keith Conlin

Graduate Theses and Dissertations

The reduction of CO₂ into products for either the storage of renewable electricity or to act as a source of renewable feedstock for industry, is not economically feasible given the current costs of renewable energy. Significant amounts of work have gone into attempting to optimize both electrochemical and nonthermal plasma-based CO₂ reduction systems in an attempt to reduce side reactions and improve energy efficiency in order to meet cost feasibility targets. These techniques can also be adapted for In-Situ Resource Utilization (ISRU) contexts, which are far less sensitive to the cost of renewable energy yet have more strenuous …

Machine Learning Optimized Depolymerization Of Pet (Polyethylene Terephthalate) Via Glycolysis, Mehwash Aamir

Theses and Dissertations

Over 90% of the approximately 1 million PET bottles sold every minute end up in landfills or oceans, where they can persist for centuries. Plastic pollution urgently needs sustainable management and recycling solutions to mitigate the environmental impact of PET waste. From all techniques to recycle plastic waste, catalytic glycolysis stands out for its rapid reaction time, high monomer yields, lower costs, and enhanced durability.

In this work glycolysis of PET was evaluated under microwave conditions using 1,5,7-Triazabicyclo [4.4.0] dec5-ene (TBD) and 1,8-Diazabicyclo [5.4.0] undec-7-ene (DBU) as catalysts, being DBU as the best catalyst for further analysis. The effect of …

The Disordered Negatively Charged C-Terminus Of The Large Hect E3 Ubiquitin Ligase Herc2 Provides Structural And Thermal Stability To The Hect C-Lobe, Kelly L. Waters, Kayla J. Rich, Noah D. Schwaegerle, Tianyi Yang, Shuanghong Huo, Donald E. Spratt

Chemistry

Homologous to the C-terminus of E6AP (HECT) and RCC1-like domain (RLD)-containing protein 2 (HERC2) is a large, 528 kDa E3 ubiquitin ligase that is associated with cancer, oculocutaneous albanism type 2, Prader-Willi syndrome, and other neurological diseases. HERC2 has been found to contribute to double-stranded DNA break repairs, tumor suppression, maintaining centrosome architecture, and ubiquitylation. The C-terminal portion of the HECT domain (C-lobe) of HERC2 is responsible for transferring ubiquitin to a substrate but the precise function of the other eight domains in HERC2 are unknown. Interestingly, HERC2 contains a unique and negatively charged C-terminal …

Selective Hydroxyl Functionalization Using Novel Bifunctional Macrocyclic Catalysts And Sufex-Based Methodologies, Austin Seilkop

All Dissertations

The research behind this dissertation explores innovative strategies for the functionalization of alcohols. Alcohols are abundant in biologically relevant molecules and pharmaceutical drugs, so designing new methods for modifying them has gained significant interest over the years. The first and second chapters of this dissertation focus on the selective functionalization of a particular class of alcohols, amino alcohols, a well-represented functional handle in biomolecules. The hydroxyl functionalization of amino alcohols often demands multiple synthetic steps. We developed a new class of macrocyclic catalysts to enable precise and efficient transformations of amino alcohols, advancing the scope and efficiency of amino alcohol …

Hydrothermal Synthesis, Characterisation, And Magnetic Study Of First-Row Transition Metal Molybdates And First-Row Transition Metal Vanadates, Mahsa Foroughian Foroughian

All Dissertations

Growing high-quality single crystals of transitional metal oxides have been of interest over the last two centuries because of the many applications of these transparent materials in various industries, such as optics, magnetism, semiconductors, and batteries. During this period, a variety of crystal growth techniques have been utilized, each offering unique advantages and disadvantages to the solid-state community.

Traditionally, metal oxides such as molybdates and vanadates are produced using high-temperature techniques (700 to 1200 °C). These methods can cause oxygen to be expelled, resulting in the creation of lattice defects and lower-valence metal ions and complicate precise measurements of physical …

Recyclable Composites Prepared From Animal Coproducts And Industrial Waste Sulfur, Perla Y. Sauceda-Oloño

All Dissertations

Pursuing sustainable and environmentally friendly materials has become a significant objective in materials science, particularly flame retardants and construction materials. This dissertation explores the development and evaluation of novel composites and high sulfur-content materials (HSMs) as potential alternatives to conventional, environmentally harmful materials.

Chapter one reviews recent advancements in environmentally benign flame-retardant additives, highlighting the potential of bio-derived phenols, polysaccharide derivatives, and greener phosphorus sources. The review discusses how green additives can enhance the flame retardancy, thermal stability, and smoke suppression properties of various polymers while addressing the challenges and future directions in the field.

Chapter two investigates the production …

Lessons Learned From Establishing And Running A Mössbauer Laboratory In Industry, Paulo De Souza

Research outputs 2022 to 2026

Mössbauer spectroscopy offers unique capabilities for primary industry sectors such as mining, mineral processing, and steelmaking, as well as in environmental services and advanced manufacturing. However, there are three key limiting factors: the time required to record a single spectrum, the challenges of managing an additional radioactive source on company premises, and the lack of personnel skilled in analysing Mössbauer spectra and understanding its operation. More commonly used techniques such as XRD, SEM, or XRF have technical staff who can interpret data with support from standard libraries and user-friendly software packages. In contrast, Mössbauer spectroscopists, who often hold degrees in …

Insights From Diverse Environments: Investigating The Fate And Transport Of Semivolatile Organic Contaminants In Alpine, Arctic, And Arid Regions, Jeffrey Perala-Dewey

All Graduate Theses and Dissertations, Fall 2023 to Present

This dissertation investigates the fate and transport of pollutants through four field-based studies in a diverse array of environments. These pollutants travel through the atmosphere and end up in places far from their original sources. In this work I explore how chemical properties of the pollutants and the environmental processes that are present change the way the pollutants travel through the environment. In the first study, pollutants from car engines were quantified in the vegetation along transects in three alpine valleys. Using these measurements, I investigated how the chemical properties of the pollutants impacted their interplay with wind systems in …

Microwave-Assisted Green Synthesis Of Spiroindolinopyranopyrazoles, Esther Owusu

Theses and Dissertations

Green Chemistry, usually known as sustainable chemistry, is widely implemented worldwide to safeguard human health and the environment. Recent investigations in organic synthesis and chemical transformation have demonstrated that green chemistry techniques are significantly reducing both chemical waste and reaction time. In order to fulfill this ecological requirement, it is crucial to lessen the utilization of perilous solvents and noxious chemicals, while also creating innovative reaction methods that decrease the production of trash. The implementation of such methodologies can greatly enhance the field of green chemistry. A more environmentally friendly synthetic method was utilized to generate spiro chemicals and their …

Novel, Ultra-Fast Electrochemical Sensors For The Enhanced Detection Of Neurotransmitters And Toxic Heavy Metals In Aqueous Solutions, Noel Manring

Theses and Dissertations

Neurodegenerative diseases (NDDs) are a growing global health concern, affecting millions of people worldwide. NDDs arise from the progressive loss of neuronal cell function, ultimately leading to cell death. Abnormal levels of neurotransmitters, the chemical messengers in the brain, have also been linked to NDDs. Despite various treatments and medications aimed at alleviating physical and mental symptoms, there is currently no cure or means to halt disease progression. While the exact pathogenesis of NDDs remain poorly understood, cognitive decline is largely attributed to brain volume reduction, particularly in the hippocampus. Clinical studies suggest that environmental factors, such as exposure to …

Synthesis Of Photocleavable Molecules For Neurological Applications, Nishal Madujith Egodawaththa Arachchilage Don

Theses and Dissertations

In recent biomedical research, the precise control of molecular dynamics through light activation has emerged as a powerful tool, particularly in the field of neurobiology. This approach involves the use of photocleavable cages or photoprotective groups (PPGs) that are chemically tethered to biologically active molecules such as neurotransmitters or calcium chelators. These cages remain inert until exposed to specific wavelengths of light, typically in the visible range, triggering the release of the active compound with high spatiotemporal precision.

For neurotransmitter systems, such as glutamate (Glu), which plays a critical role in synaptic transmission and memory formation, researchers have developed novel …

The Application Of High-Resolution Mass Spectrometry For The Analysis Of Biopolymers, Metabolites, And Biologically Relevant Small Molecules, Christ Duc Tran

Graduate Doctoral Dissertations

High-resolution mass spectrometry (HRMS), as its name suggests, possesses high resolving power that enables the separation of ions with very close mass values. This is particularly beneficial for analyzing complex samples where numerous compounds may have similar masses, as it helps prevent signal overlaps and ensures an accurate spectral analysis. The current work explores the diverse applications of high-resolution mass spectrometry in oligonucleotide research, organic synthesis and medicinal chemistry. Oligonucleotide research: Chapters 2-5 present the research results from studies that employed ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UHPLC-HRMS) to understand the pharmacokinetics of RNA interference (RNAi) therapeutics. The …