Chemistry Commons^™

Co2 Capture Utilizing Novel Deep Eutectic Solvents: Modeling, Process Simulation, And Cost Analysis, Nazneen Aspi Kolah

Masters Theses

One of the most pressing global issues that humans face is climate change caused by anthropogenic greenhouse gas emissions, especially carbon dioxide (CO2). Conventional solvents utilized for CO₂ capture, such as amines, are widely used in industrial applications due to their high CO2 absorption capacity. However, deep eutectic solvents (DES) have attracted a lot of academic attention recently due to their biodegradability and low energy for regeneration.

This research serves as a foundational proof-of-concept for using DESs in industrial gas separation processes. Five DES are evaluated for CO2 removal from flue gases. Aspen Plus is utilized to simulate the performance …

Synergistic Anticancer Effect Of Pistacia Lentiscus Essential Oils And 5-Fluorouracil Co-Loaded Onto Biodegradable Nanofibers Against Melanoma And Breast Cancer, Obaydah Abd Alkader Alabrahim, Hassan Mohamed El Said Azzazy

Faculty Journal Articles

Chemoresistance and severe toxicities represent major drawbacks of chemotherapy. Natural extracts, including the essential oils of Pistacia lentiscus (PLEO), exhibit substantial anticancer and anti-inflammatory activities where different cancers are reported to dramatically recess following targeting with PLEO. PLEO has promising antimicrobial, anticancer, and anti-inflammatory properties. However, the therapeutic properties of PLEO are restricted by limited stability, bioavailability, and targeting ability. PLEO nanoformulation can maximize their physicochemical and therapeutic properties, overcoming their shortcomings. Hence, PLEO was extracted and its chemical composition was determined by GC–MS. PLEO and 5-Fluorouracil (5FU) were electrospun into poly-ε-caprolactone nanofibers (PCL-NFs), of 290.71 nm to 680.95 nm …

Bioremediation Of Effluent Water In A Coal Ash Disposal Area: Optimizing Microbial Sulfate Reduction, Ryka Shea

Electronic Theses and Dissertations

Coal combustion residues (CCR) pose a serious environmental threat, even long after they are disposed of in specialized landfills, due to their complex composition and potential for leaching into waterways. This study focuses on the issue of elevated sulfate concentrations at the Martin Lake Steam Electric Station (MLSES) A-I Disposal Area in Panola County, Texas, where CCR are disposed of in a permanent landfill. Currently, this site is exceeding its regulatory limit of sulfate concentrations in its effluent and is in need of a cost-effective and sustainable solution to this problem. This research utilized benchtop experiments to investigate sulfate reducing …

Ai Is A Viable Alternative To High Throughput Screening: A 318-Target Study, Izhar Wallach, Denzil Bernard, Kong Nguyen, Gregory Ho, Adrian Morrison, Adrian Stecula, Andreana Rosnik, Ann Marie O'Sullivan, Aram Davtyan, Ben Samudio, Bill Thomas, Brad Worley, Brittany Butler, Christian Laggner

Chemistry Faculty Research & Creative Works

High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, …

Fitting Quality Of Nmr Relaxation Data To Differentiate Asphalt Binders, Rebecca M. Herndon, Kevin Lai, Magdy Abdelrahman, Klaus Woelk

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Asphalt binder performance grades (PGs) are important metrics in designing pavements for effective transportation infrastructure. the PG system relies on the binder's stiffness and is determined through energy- and time-intensive physical testing. Physical properties, like stiffness, can also be determined by spin–lattice NMR relaxometry, a non-destructive chemical method. NMR relaxometry can quantify the molecular mobility of materials by determining relaxation times from exponential decays of excited nuclear magnetization. While relaxation times have been used to determine physical properties of materials, a quantitative relation to the PG grades of asphalt binder is yet to be established. in this study, T1 NMR …

Rare Variants Of Dna Ligase 1 Show Distinct Mechanisms Of Deficiency, Jenna H. Veenstra, Alexandria Chabez, Terrance J. Haanen Iii, Austin Keranen, Charlotte Cunningham-Rundles, Patrick J. O'Brien

Faculty Work Comprehensive List

Human DNA ligase 1 (LIG1) performs the final step in DNA repair and recombination pathways by sealing DNA breaks, and it functions as the main replicative ligase. Hypomorphic LIG1 variants R771W and R641L cause immune deficiencies in LIG1 Syndrome patients. In vitro these LIG1 variants have decreased catalytic efficiency and increased abortive ligation and it is not known if either biochemical defect is sufficient on its own to cause immune deficiency. We investigated the enzymatic activity of several new candidate LIG1 Syndrome variants chosen based on their structural proximity to known clinical variants, low minor allele frequency (MAF), high level …

Synthesis Of Novel Chromenone Esters For Biochemical Assays, Andrew Dean Helmerich

Undergraduate Honors Thesis Collection

This project details the synthesis of a variety of novel chromenone esters to be used as enzymatic probes. A robust, initial library of 22 chromenone esters was successfully synthesized with differences in chain length, branching, and the incorporation of cyclic and heteroatomic moieties. These new chromenones were fully characterized by 1HNMR, 13CNMR, DEPT HRMS, 19FNMR, and HSQC. The utility of these compounds comes from the fact that they will fluoresce upon cleavage of the ester; thus, this property makes them ideal candidates to be used in the monitoring of enzymatic activity of esterases. Elucidating the enzyme-substrate structure activity relationship (SAR) …

Impact Of Water Ionic Chemistry On Kombucha Fermentation, Katherine A. Thompson-Witrick, Olivia Sundman, Sadie Disselkoen, Nicholas Hanson, Cheyenne Butler, Victoria Jordan, Ian Galbraith, Jada Spake, Seiler Pollock, Drew M. Budner

Chemistry

Kombucha is made by using a symbiotic culture of bacteria and yeast (SCOBY) to ferment sweetened tea. This fermentation produces a beverage with a unique aroma and acidic flavor. Kombucha has recently gained popularity in the United States and has been reported to have numerous health benefits. While there is a wide variation in kombucha composition, little is known about the impact water’s chemistry has on the fermentation and the resulting kombucha. Brewing water for kombucha was altered using the following ions: bicarbonate, chloride, calcium, magnesium, and sulfate at different concentrations. Pre-(tea) and post-(kombucha) fermentation (kombucha) products were analyzed for …

Use Of Equine H3n8 Hemagglutinin As A Broadly Protective Influenza Vaccine Immunogen, David Verhoeven, Brett A. Sponseller, James E. Crowe, Sandhya Bangaru, Richard J. Webby, Brian M. Lee

Chemistry

Development of an efficacious universal influenza vaccines remains a long-sought goal. Current vaccines have shortfalls such as mid/low efficacy and needing yearly strain revisions to account for viral drift/shift. Horses undergo bi-annual vaccines for the H3N8 equine influenza virus, and surveillance of sera from vaccinees demonstrated very broad reactivity and neutralization to many influenza strains. Subsequently, vaccinating mice using the equine A/Kentucky/1/1991 strain or recombinant hemagglutinin (HA) induced similar broadly reactive and neutralizing antibodies to seasonal and high pathogenicity avian influenza strains. Challenge of vaccinated mice protected from lethal virus challenges across H1N1 and H3N2 strains. This protection correlated with …

Theoretical Investigation Of Hydrogen Abstraction From Fluorinated Propanones And Fluorinated Propanals, Laurel Washburn

Honors Theses

Per- and polyfluoroalkyl substances (PFAS) are a class of thousands of industrially used compounds often called “forever” chemicals because of their slow degradation process that leads to accumulation in soil, dust, drinking water, and the body. PFAS are used for their grease and water resistance properties but some of these compounds are toxic at extremely low levels. To better understand the effects of these types of compounds, the main pathways of their degradation need to be further investigated. This study analyzes computationally the hydrogen abstraction reactions by both hydroxyl radical and triplet oxygen atom for all possible fluorinated propanones and …

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

Mechanical and Aerospace 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 of 10 °C. Obtained results showed that thermal …

Elucidating The Significant Roles Of Root Exudates In Organic Pollutant Biotransformation Within The Rhizosphere, Michael O. Eze, Chinedu F. Amuji

Chemistry Faculty Research & Creative Works

Biotransformation of organic pollutants is crucial for the dissipation of environmental pollutants. While the roles of microorganisms have been extensively studied, the significant contribution of various root exudates are still not very well understood. Through plant growth experiment, coupled with gas and liquid chromatography-mass spectrometry methods, this study examined the effect of the presence of M. sativa on microbial-associated biochemical transformation of petroleum hydrocarbons. The results of this study revealed that the concentration of exudates within the soil matrix is a function of proximity to root surfaces. Similarly, biodegradation was found to correlate with distance from roots, ranging from ≥ …

Decoding Fgf/Fgfr Signaling: Insights Into Biological Functions And Disease Relevance, Oshadi Edirisinghe, Gaetane Ternier, Zeina Alraawi, Thallapuranam Krishnaswamy Suresh Kumar

Chemistry & Biochemistry Faculty Publications and Presentations

Fibroblast Growth Factors (FGFs) and their cognate receptors, FGFRs, play pivotal roles in a plethora of biological processes, including cell proliferation, differentiation, tissue repair, and metabolic homeostasis. This review provides a comprehensive overview of FGF-FGFR signaling pathways while highlighting their complex regulatory mechanisms and interconnections with other signaling networks. Further, we briefly discuss the FGFs involvement in developmental, metabolic, and housekeeping functions. By complementing current knowledge and emerging research, this review aims to enhance the understanding of FGF-FGFR-mediated signaling and its implications for health and disease, which will be crucial for therapeutic development against FGF-related pathological conditions.

Investigation Of Magnesium-Potassium Phosphates As Potential Nuclear Waste Form For The Immobilization Of Minor Actinides, Hans Conrad Zur Loye, Petr Vecernik, Monika Kiselova, Vlastislav Kašpar, Hana Korenkova, Vlastimil Miller, Petr Bezdicka, Jan Šubrt, Natalija Murafa, Volodymyr Shkuropatenko, Sergey Sayenko

Faculty Publications

Several recent studies have evaluated technologies of spent nuclear fuel processing specifically for solidifying transuranic (TRU) waste as a by-product of fission. Of the TRU group, plutonium and the minor actinides will be responsible for the bulk of the radiotoxicity and heat generation of spent nuclear fuel in the long term (300 to 20,000 years). In this study, we investigated magnesium potassium phosphate (MKP)-based compounds as host waste forms for the encapsulation of inactive trivalent Nd and Sm as analogues of the minor trivalent actinides, Am and Cm. Waste forms were fabricated under ambient atmospheric conditions by adding 5 wt.% …

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 …