Chemistry Commons^™

Comparative Analysis Of Azo Dye Restriction In The International Textile Industry, Kayla Demark

Apparel Merchandising and Product Development Undergraduate Honors Theses

Azo dyes are the most used type of dye in the textile industry. Some of these dyes have the potential to be extremely toxic to both human health and the environment. While regulations of these dyes vary across the world, it is suggested that not enough is being done to protect consumers and the environment from potentially harmful azo dyes (Rawat et al., 2016). It is the responsibility of apparel companies to ensure that their products that contain azo dyes are safe for consumers.

The purpose of this study was to understand how azo dyes and their by-products are restricted …

New Applications For The Kinetic Exclusion Assay (Kinexa), Mark Harrison Smith

Boise State University Theses and Dissertations

This dissertation examines the fundamental principles and applicability of the kinetic exclusion assay (KinExA), developed and marketed by Sapidyne Instruments of Boise, Idaho, since 1995. Chapter One reviews and consolidates the manufacturer’s guidance and many early papers that delineate the practical and theoretical aspects of the technology. In brief, KinExA is a two stage analytical system. In stage one, a number of solutions are prepared, whereby one of the partners is kept constant (the constant binding partner, or CBP), while the other (the titrant) is varied, usually in serial dilution. As the titrant is increased, the free CBP decreases, and …

Isolated Point Discharges Into Coastal Swashes As Nutrient Sources To Coastal Waters, Mary E. Olsen

Honors Theses

Coastal water quality in the Grand Strand of South Carolina is directly influenced by human activities. Nutrient-rich runoff, stemming from numerous anthropogenic sources, finds its way into coastal waters through freshwater inputs often through tidal creeks, termed swashes. In order to better describe the amount of nutrient inputs into Singleton Swash and White Point Swash, we examine anthropogenic runoff from isolated identifiable point discharges and their nutrient concentrations. We report concentrations of dissolved inorganic nitrogen (DIN, as the sum of nitrate, nitrite and ammonium) and phosphate in discharge and creek water. We hypothesize that nutrient concentrations of isolated, minor point …

Analyzing The Lysergic Acid Amide Content Extracted From The Seeds Of Argyreia Nervosa Via The Use Of Lc-Ms, Elisabeth Barone

Forensic Science Master's Projects

Psychedelic plant use by humans can be traced back centuries to the times when early cultures used these plants in activities ranging from healing rituals to religious ceremonies. In recent years, several of these plants have reemerged on the drug scene and are currently being marketed as “legal highs” (since the plant seeds are legal to purchase through a variety of online vendors). With the growing number of internet forums where recreational drug users can write about their experiences and share them with others, it has become relatively simple for almost anyone to obtain the materials necessary to experience a …

The Impact Of Service-Learning On General Chemistry Ii Students At The University Of Nebraska At Omaha, Kayla Rud

Theses/Capstones/Creative Projects

Service-learning has been shown to enhance academic and leadership skills while promoting community engagement and exposing students to different career opportunities (Esson et al., 2005). While the benefits of service-learning courses are clear, few STEM courses include service-learning components (Esson et al., 2005). Here, students in a totally online 2nd semester UNO chemistry course completed a service-learning project where they remotely led a live, inquiry-based STEM activity for Girl Scouts. To quantify the impact of service-learning on professional development, future career plans, and future volunteerism, a series of pre and post surveys were administered. Paired-sample t-tests revealed a statistically significant …

Synthesis, Characterization, And Reactivity Of Organometallic Complexes For Catalytic Carbon-Hydrogen Bond Activation, Sophia Neglia

Honors Theses

Styrene can be produced directly from benzene and ethylene through an atom economical oxidative hydroarylation process. In this process, an electrophilic homogeneous transition metal catalyst activates the C-H bond in benzene. I propose to explore this reaction in two fronts: 1) the synthesis of electron-poor trans-spanning bidentate pyridine ligands and 2) the computational study of pyridine-functionalized bidentate diimines. The trans-spanning ligand will utilize either a Ru(II) or Co(III) metallohinge with cis-coordinated 2-ethynylpyridine ligands. The complex [(p-cym)Ru(PMe3)(C2-2-py)2] (1) where (p-cym = para-cymene and C2-2-py = 2-ethynylpyridine) can be prepared from (p-cym)Ru(PMe3)(Cl)2 and HC2-2-py in the presence of lithium bis(trimethylsilyl)amide (LiHMDS). Complex …

Understanding Shear Thinning Using Brownian Dynamics Simulation, Mackenzie Nicole Wall

Honors Theses

In this work, we study the changes in structure during the shear thinning regime using Brownian Dynamics with a simple steady-state shear flow of binary charged colloidal suspension. Previous research has analyzed the viscosity, radial distribution, elasticity and plasticity of materials with rheo-SANS experimentation; however, less research has been conducted to replicate the experiment through computer simulations. With Brownian Dynamic Simulation, this study was able to reproduce the results obtained in a recent rheo-SANS experiment and it also explored the viscosity, radial distribution, elastic and plastic behavior of a system under different parameters. The comparison of simulated data with experimental …

The Effect Of The Apolipoprotein A1 (Apoa1): The Stability And Folding In Potassium Chloride Environment, Alexandra Paladian

Honors Theses

Healthy levels of potassium chloride (KCl) can significantly affect the workings of the cholesterol level of the human body and how they pertain to an individual person. The search for a better salt additive for the human diet can provide a better option for people who experience high cholesterol levels and heart disease. The study focuses on the experimental design of the Molecular Dynamic (MD) simulation of the Apolipoprotein A1 (APOA1) in the potassium ion solution environment to determine the stability and folding of the protein. The study also compares its data to the previous experimental design of chloride ions …

Molecular Dynamic Simulation Of The Complex Folding Patterns Of Apolipoprotein A1 In Various Concentrations Of Potassium Chloride, Hannah Holmberg

Honors Theses

Apopliprotein or ApoA-1 is a complex lipoprotein that functions in the removal of cholesterol from the blood, removing cholesterol from the area around white blood cells and promoting the excretion of lipids through the lymphatic system. Previous research has found that ApoA-1 shows both folded and unfolded conformations depending on the concentration of NaCl in solution in the water around it. The protein was studied using molecular dynamics simulations. Once this state of equilibrium was reached, various structural properties of the protein were measured including the radius of gyration and the radial distribution function. The goal of the project was …

Anti-Inflammatory And Immunomodulatory Properties Of Fermsented Plant Food, Roghayeh Shahbazi, Farzaneh Sharifzad, Rana Bagheri, Nawal Alsadi, Hamed Yasavoli-Sharahi, Chantal Matar

Chemistry Faculty Publications and Presentations

Fermented plant foods are gaining wide interest worldwide as healthy foods due to their unique sensory features and their health-promoting potentials, such as antiobesity, antidiabetic, antihypertensive, and anticarcinogenic activities. Many fermented foods are a rich source of nutrients, phytochemicals, bioactive compounds, and probiotic microbes. The excellent biological activities of these functional foods, such as anti-inflammatory and immunomodulatory functions, are widely attributable to their high antioxidant content and lactic acid-producing bacteria (LAB). LAB contribute to the maintenance of a healthy gut microbiota composition and improvement of local and systemic immunity. Besides, antioxidant compounds are involved in several functional properties of fermented …

Spectroscopic Analysis Of Potential Astromolecules Via Quantum Chemical Quartic Force Fields, Mason Gardner

Honors Theses

Astrochemistry has been substantially aided by computational techniques, particularly through the use of Quartic Force Field (QFF) analysis. Several methods have proven useful at correlating computed spectroscopic data with experimental observations. The F12-TZ QFF correlated well with experimental data for silicon oxide compounds, particularly those potentially involved in development from rocky bodies to planetary masses [27]. Compared to argon matrix experimental data, the vibrational frequencies for the molecules SiO2, SiO3, Si2O3, and Si2O4 become less accurate as the complexity of the molecules increases but should still be predictive of infrared characteristics of silicon oxides as they form clusters in space …

Determination Of Metals In Whey And Vegan Protein Supplements Using Inductively Coupled Plasma Mass Spectrometry, Megan Lofaso

Honors Theses

Driven by a demand for health and wellness products worldwide, the dietary supplement industry continues to expand with an economic impact >$100 billion in the USA alone. However, the industry is plagued by a lack of regulation and incidents of contamination, including with toxic heavy metals that can put consumers at potential risk. In this study, eight trace elements (Cd, Pb, Fe, Co, Mn, V, Cu, and Cr), including heavy metals (Cd and Pb), were determined in whey and vegan protein powder by inductively coupled plasma mass spectrometry (ICP-MS) after microwave-assisted digestion using nitric acid and hydrogen peroxide. Samples were …

Organic Synthesis For Solving Clinical Conundrums Of Drug Activation And For Facilitating Natural Product Drug Discovery, Elkin Libardo Romero

Open Access Theses & Dissertations

Organic chemistry is an exploratory world in which chemists translate their knowledge by creating new molecules and explore their biological and physical properties. For the past three years, our research has been focused on organic synThesis and chemical biology to solve challenges in this area. Two major approaches have been faced: First, the chemical synThesis of the active metabolite of antithrombotic prodrug Plavix (clopidogrel). Clopidogrel (CPG) has been widely used as an antithrombotic prodrug, which undergoes extensive metabolism in patients; among it, only a trivial portion is converted through a series of cytochrome P450 (CYP)-catalyzed thiophene degradation to form active …

Electrodeposition Of Hydrogen Molybdenum Tungsten Bronze Films And Electrochemical Reduction Of Carbon Dioxide., Mohammad Bajunaid

Electronic Theses and Dissertations

The foremost aim for performing this study was to focus on the electrodeposition of mixed hydrogen molybdenum tungsten bronze films, which have the potential for e^– transfer interactions carrying out the reduction of carbon dioxide. A yellow peroxymolybdic tungstate solution was prepared and used for the electrodeposition of hydrogen molybdenum tungsten bronze films on conductive carbon paper. Electrodeposition was carried out at -2.0 V from 20 - 120 minutes to determine the effect of deposition time on film thickness and CO₂ reduction. These films were characterized by X-ray photoelectron spectroscopy. The deposited films served as a working electrode …

Temperature-Dependent Rotationally Inelastic Collisions Of Ohˉ And He, Eric S. Endres, Steve Ndengué, Olga Lakhmanskaya, Seunghyun Lee, Francesco A. Gianturco, Richard Dawes, Roland Wester

Chemistry Faculty Research & Creative Works

We have studied the fundamental rotational relaxation and excitation collision of OHˉJ = 0 ↔ 1 with helium at different collision energies. Using state-selected photodetachment in a cryogenic ion trap, the collisional excitation of the first excited rotational state of OHˉ has been investigated and absolute inelastic collision rate coefficients have been extracted for collision temperatures between 20 and 35 K. The rates are compared with accurate quantum scattering calculations for three different potential-energy surfaces. Good agreement is found within the experimental accuracy, but the experimental trend of increasing collision rates with temperature is only in part reflected in the …

Removal Of Arsenic (Iii) And Arsenic (V) From Aqueous Solution Via Solanum Lycopersicum Phytoremediation And Essential Nutrient Analysis, Grecia W. Garcia Salazar

Theses and Dissertations

ICP-OES was used to investigate the uptake of arsenic (V) and arsenic (III) from aqueous solution using tomato seedlings. The effect of arsenic on essential nutrient uptake by tomato was analyzed. The experiment was performed at three levels of arsenic: 1ppm, 2 ppm and 5 ppm [added as sodium arsenate (Na3AsO4) and arsenic trioxide (As2O3)], in nutrient solution. Plants remained in solution for two weeks. Arsenic accumulation depended on arsenic concentration in solution, when exposed to higher arsenic concentrations the plant uptake increased. The highest arsenic accumulation was found in roots, followed by stems and leaves in that order. Essential …

Virtual Screening For Potential New Chemotherapeutic Agents For The Gpr119 Receptor, A Target For Type Ii Diabetes, Jennifer Lizeth Bravo

Theses and Dissertations

Three frames from a molecular dynamics simulation run of a GPR119 receptor homology model were used for this study. The homology model was validated by virtually screening 76 known GPR119 receptor. 85% of these agonists bound to the receptor. Following the validation, 21,000 molecules were selected for the virtual screening study. 862 ligands came from the GPCR Selleckchem/Prestwick library, 42 compounds from the Prestwick Phytochemical library, 20,000 compounds from the ZINC library, plus four molecules from the literature. All ligands were built, geometry-optimized, and docked in the GPR119 models using a protocol combining High Throughput Virtual Screening, Standard Precision, and …

Investigation Of The C—Cn Bond Activation Of Fluorinated Benzonitriles With [Ni(Dmpe)] And Dft Benchmarking Study With [Ni(Dippe)], Dominique C. Gallegos

Theses and Dissertations

Carbon-carbon bond activation has become a rapidly growing area of research due to its extensive range of applications. Despite the significant progress that has been made in this field, the cleavage of kinetically inert and thermodynamically stable C—C σ-bonds under mild homogeneous conditions remains a challenge. The activation is primarily limited to systems in which either relief of strain or aromatization serves as a driving force. A notable exception to this is the oxidative addition of unstrained C—CN bonds of nitriles. In this study, we are looking at the effect of fluoro substituents. We hypothesized …

Limits Of Variationality In Full Configuration Interaction For The H2 Model System, Oscar Obed Rodriguez Vargas

Theses and Dissertations

We proposed a framework for exploring the limits of variationality in full configuration interaction (FCI) calculation of molecular electronic structure. We performed FCI calculations on the minimal basis (STO-3G) H2 model for the energy, gradient, and derivative coupling. These calculations were validated by finite difference. These quantities were recalculated with controlled injection of error in the FCI coefficient. The gradient was observed to be highly sensitive to error, while the energy and derivative coupling were robust to errors in the coefficients of nearly 10%. This study lays the groundwork for calculation of other derived quantities, such as the Hessian, adiabatic …

Flexible And Surface Modified Znsno3 Nanocubes For Enhanced Piezoelectric Power Generation And Wireless Sensory Application, Sk Md Ali Zaker Shawon

Theses and Dissertations

Piezoelectric systems and their mechanisms are held in high regard, due to their cost-effective structure and mechanical proficiency to harvest renewable energy. In the present article, we propose an aluminum-doped zinc stannate (ZnSnO3) piezoelectric nanogenerator that can be employed for the harvest of energy and sensory applications. In order to ensure and further enrich the piezoelectric mechanics and product outcome in our device, ZnSnO3 was doped with 1 wt% to 5 wt% of aluminum nanoparticles. We reported that 2 wt% of aluminum-doped ZnSnO3 showed the highest electrical output in terms of open circuit voltages and short circuit current.

The nanogenerator …

A Study Of Nanogenerator Based Flow Sensor, Farzana Tasnim

Theses and Dissertations

The utilization of kinetic energy from fluid flow to power sensory systems is experiencing an all-time high research focus. Invention of nanogenerators have fueled this research focus with unprecedented flexibility of applications. Many studies have reported on utilizing the mechanism of nanogenerator for sensing fluid flow. In this short work, we have summarized different types of self-powered nanogenerator-based flow sensors and their applications. We have also classified the use of Nanogenerator based flow sensors in different fields, such as Bio-medical Application, Fluid velocity sensing, and Chemical Detection. In the Bio-medical field, the flow sensor can be used for the patient’s …

Theranostic Nanoparticles Folic Acid-Carbon Dots-Drug(S) For Cancer, Godwin Kweku Babanyinah

Electronic Theses and Dissertations

This study aims to prepare theranostic nanoparticles (NPs) that are expected to increase cancer diagnostics and therapeutic efficacy. We prepared the NPs constituting carbon dots (CDs) as an imaging agent, folic acid as a targeting agent, doxorubicin (DOX), or gemcitabine (GEM) as chemotherapy agents. The NPs include noncovalent FA-CDs-DOX, covalent CDs-FA-DOX, and covalent FA-CDs-GEM. Through ultraviolet-visible spectroscopy, fluorescence spectroscopy, and Fourier transform-infrared spectroscopy, the fabrication of these NPs was confirmed. It was discovered that the high drug loading efficiency is the noncovalent series while the high drug loading capacity is the covalent series The in-vitro pH-dependent drug release data indicate …

Investigating The Role Of Charge Separation In Triplet State Formation In Zinc Dipyrrin Photosensitizers, Irene Y. Dzaye

Electronic Theses and Dissertations

About 85% of the world’s energy is derived from non-renewable sources—coal, petroleum, and natural gas. Solar photocatalysis is one way to potentially generate cheap renewable fuels by harnessing energy from the sun using a photosensitizer and converting it into chemical energy. The efficiency of a photosensitizer depends on its capacity to form a prolonged triplet excited state. Zinc dipyrrin complexes have the potential to be efficient sensitizers for reductive photochemistry, but their ability to form long-lived triplet excited states still needs extensive research. The overall aim of this research is to probe the role charge separation plays in the formation …

Pectin And Alginate Extraction To Treat Liquid Cafo Manure, Clare Sunderman

Honors Projects

For this project, various extraction methods were used to extract pectin from Pastinaca Sativa and alginate from Macrocystis. These extractions were then dried and used in treating 250mL of manure along with a CaCl₂ or FeCl₃ coagulant. It was found that CaCl₂ was not as effective as FeCl₃ in coagulating manure. But the results obtained suggest that pectin and alginate obtained with a simpler extraction method is just as effective as the highly purified and refined pectin and alginate produced for the food industry, in the treatment of CAFO manure. The liquid portion of the …

Development Of Biomaterials For Drug Delivery, Raquel De Castro

Graduate Theses and Dissertations

Drug delivery systems (DDS) have highly evolved in the last decades with the development of hydrogels and nanoparticles. However, high systemic uptake, side effects, low bioavailability, and encapsulation efficiency continue to be a major hurdle faced by such DDSs.

Nanoparticles and hydrogels can be specifically designed for targeted DDSs to mitigate some of the problems. This dissertation aimed to design two DDSs for ocular drug delivery and one for cancer treatment. The first project sought to develop chitosan nanoparticles (Cs-NP) using PEGDA as a copolymer to encapsulate gentamicin (GtS) for ocular drug delivery. Cs-NPs contain positive charges that can interact …

Electronic Structure And Dynamics Of Uranyl-Peroxide Species, Ethan T. Hare

Honors Thesis

Uranyl-peroxide nanocapsules are a unique family of self-assembled actinide species. Uranyl ions rapidly self-assemble in basic peroxidic media through a myriad of reactions to coalesce into a single nanocapsule that includes both peroxide and hydroxide bridging groups between the uranyl moieties. A wide variety of capsules can be formed, and it has been proposed that square and pentagonal building blocks assemble prior to nanocapsule formation. We have studied the speciation of the pentagonal 2) uranyl-peroxide nanocapsule building blocks using density functional theory calculations. We predicted the most favorable speciation pathways for the self-assembly of the building blocks prior to cluster …

Biochemical Characterization Of Small Molecule Inhibitor Binding On A Ras Related Gtpase And Its Effector Interactions, Djamali Muhoza

Graduate Theses and Dissertations

The Ras superfamily of GTPases has 167 proteins that are involved in various cellular processes such as proliferation, transformation, migration, and inhibition of cell death. Mutations, abnormal expression, and function of these proteins are observed in many diseases, including several forms of cancer. Even though these GTPases were among the first discovered oncogenes, no successful Ras drug candidate has successfully passed clinical trials. Drugs targeting these proteins have failed mainly because of the complexity of their regulation, their high affinity to GTP, and their structure’s dynamic nature. Recently, novel promising targeting approaches have renewed interest in the Ras drug discovery …

Lc-Ms/Ms Method Development And Analysis Of Tricyclic Antidepressants In Human Plasma, Shahbaz Gul

Honors Theses

Depression has become one of the most prominent problems in society, disrupting both personal and social lives. Tricyclic antidepressants (TCAs) were first developed in the 1950’s and became some of the leading anti-depressant medications on the market later that decade. Today, newer anti-depressants have risen to the forefront, being safer and having a lower side-effect probability. Nonetheless, TCAs continue to be prescribed for severe depression, especially in cases where the newer anti-depressants have failed. However, TCAs are still highly potent, the toxicity associated with these compounds cannot be ignored. They have considerable cardiovascular and neurological toxicity, and in the event …

A Conductivity Analysis Of A Newly Synthesized Poly(Ethylene Glycol) Methyl Ether Hydroxide Electrolyte, Sarah Marie Peterson

Honors Theses

This thesis investigates the synthesis and conductive properties of a Poly (ethylene glycol) methyl ether-based polymer electrolyte. The goal of the synthesis is to enhance the hydroxide ion conduction properties of the polymer with its cationic groups attached. The MePEG backbone contained seven ethylene glycol groups and was modified to substitute the hydroxide group in the MePEG with trimethylamine. In addition, the bromide added in the synthesis was exchanged for hydroxide ions to allow for the transportation of hydroxide ions in polymeric electrolytes that can be used in Anion Exchange Membrane Fuel Cells. The newly synthesized polymer was compared to …

Kinetics For Enzymatic Conversion Of Biomass To Glucose, Jordan Broadwater

Undergraduate Honors Theses

Biofuels are a sought-after alternative for fossil fuels in today’s society. More specifically, cellulose-based biofuel is an avenue of research intending to limit waste and provide new renewable energy. Cellulose is a rigid polymer of glucose monomers that is found abundantly across different agriculture crops. However, its stability is a barrier to energy production from this source. Pretreatment followed by hydrolysis of cellulosic materials serves a potential to produce glucose to be used in biofuels in larger quantities compared to other methods. This project studied the effect microwave pretreatment and oxygenation have on hydrolysis of cellulose in Arundo Donax. Arundo …