Chemistry Commons^™

Aircraft Engine Particulate Matter Emissions From Sustainable Aviation Fuels: Results From Ground-Based Measurements During The Nasa/Dlr Campaign Eclif2/Nd-Max, Tobias Schripp, Bruce E. Anderson, Uwe Bauder, Bastian Rauch, Joel C. Corbin, Greg J. Smallwood, Prem Lobo, Ewan C. Crosbie, Michael A. Shook, Richard C. Miake-Lye, Zhenhong Yu, Andrew Freedman, Philip D. Whitefield, Claire E. Robinson

Chemistry Faculty Research & Creative Works

The use of alternative jet fuels by commercial aviation has increased substantially in recent years. Beside the reduction of carbon dioxide emission, the use of sustainable aviation fuels (SAF) may have a positive impact on the reduction of particulate emissions. This study summarizes the results from a ground-based measurement activity conducted in January 2018 as part of the ECLIF2/ND-MAX campaign in Ramstein, Germany. Two fossil reference kerosenes and three different blends with the renewable fuel component HEFA-SPK (Hydroprocessed Esters and Fatty Acids Synthetic Paraffinic Kerosene) were burned in an A320 with V2527-A5 engines to investigate the effect of fuel naphthalene/aromatic …

Identification Of Nitrates Within Coldwater Cave, Blake Schany, Joshua Sebree

Fall 2022 - Chemical Analysis Class Projects

Agricultural runoff has the potential to greatly damage the ecosystem of Coldwater Cave. Agricultural runoff includes elements found in herbicides and fertilizers used on crops as well as increased amounts of nitrogen in the water due to runoff from cattle sites. Identification of the presence of water soluble pollutants from cattle feedlot runoff and toxic components found in common herbicides used in maintaining cropland within the cave is needed to address the potential damage that the contaminants can do to the ecosystem of the cave. Identifying contaminants present within the cave systems using UV Vis will allow for more targeted …

An Investigation Of Fluorescent Synthetic Rocks At The Shrine Of The Grotto Of The Redemption, Austin Heidbreder, Joshua Sebree

Fall 2022 - Chemical Analysis Class Projects

The Grotto of the Shrine of Redemption is a religious site in West Bend, Iowa. The large structure is made of a variety of minerals and rocks, some synthetic, that can be studied. Many of these synthetic rocks are a product of smelting crayons together. It was found that several of these synthetic rocks were fluorescent. Those found in the Grotto of the Shrine of Redemption were studied with fluorescence spectroscopy and cross-referenced with knowledge of pastel dyes in use in the 1930s. It was found that some of the fluorescing rocks were likely made using crayons containing various red …

Determination Of The Elemental Composition Of ‘Druzy’ In Crystalline Quartz Using Uv & X Ray Fluorescence, Margaret Ierien

Fall 2022 - Chemical Analysis Class Projects

The purpose of this experiment was to identify and detected the elemental composition of ‘druzy’ in quartz and to differentiate its compositions from other crystalline minerals, including other forms of quartz, calcite, and fluorite. The methods of UV fluorescence and X ray fluorescence were used. The composition of druzy quartz was analyzed and found to exhibit multiple elements absent in clear quartz and other crystalline minerals.

Water Quality Mapping Throughout Coldwater Cave, Jade Nuehring, Joshua Sebree, Raquel Wilhelm, Blake Schany

Fall 2022 - Chemical Analysis Class Projects

Coldwater Cave, located in Decorah, Iowa is surveyed to contain 17.2 miles of passageways. This study is a mapping of how dissolved oxygen levels and water conductivity compare throughout water samples taken at 9 different locations within the cave. In this study we want to know how what is on the surface is impacting the cave water quality as Coldwater Cave sits between two above ground rivers and is covered with land used for agricultural purposes. Water quality studies done on other major rivers have shown that typical conductivity levels are within the 200-1000 micro-Siemen/cm range, and it is important …

Raman Analysis Of Fluorescent Minerals And Rocks At The Shrine Of The Grotto Of The Redemption, Samrin Shahnaz, Joshua Sebree

Fall 2022 - Chemical Analysis Class Projects

The Shrine of the Grotto of the Redemption is a religious tourist attraction in West Bend, IA, which also happens to be the world’s largest grotto. A Catholic priest, Fr. Dobberstein , constructed the grotto using precious stones from all over the US about a hundred years ago, and the caretakers have questions about the chemical compositions of the rocks and minerals, both natural and synthetic. Raman Spectroscopy is a non destructive method for qualitative and quantitative analysis of chemical compounds. In this project, Raman analysis was performed on various fluorescent rocks found at the grotto. This included both natural …

Extraction And Analysis Of Rare Earth Elements From Coal Fly Ash Using Atomic Emission, Owen Lerg, Colleen Lehrer, Joshua Sebree

Fall 2022 - Chemical Analysis Class Projects

• Coal fly ash is a waste product from burning coal
• Recent research has been focusing on if coal fly ash could be a source of rare earth elements (REE)
• REE are a critical raw material needed for many technologies
• Growing importance for finding alternative sources of REE as demand increases every year
• Most of REE export from China
• Goal of this research is to determine what REE are present in the coal fly ash
• Atomic Emission (AE) is the technique that will be used to determine if REE are present
• AE was chosen due to its low limits of detection …

Composition Of Particle-Size Separated Iowa Fly Ash, Colleen P. Lehrer, Joshua Sebree, Owen Lerg

Fall 2022 - Chemical Analysis Class Projects

• Fly ash is a complex mixture of metallic oxides, unburnt carbon compounds, and other particulate which are a byproduct of the industrial burning of coal or biofuels for power production.
• Environmental contaminants including arsenic, lead, cadmium, chromium, and mercury are known to be found in fly ash, prompting EPA regulation and government action in the event of spills.
• Ash composition and morphology are closely related to the composition and processing of its parent fuel. [1,2] Subsequently, the extent to which environmental contaminants are concentrated in fly ash is know to vary.
• Sieving processes are used in many industries as an …

Chemical Interactions And Cytotoxicity Of Terpene And Diluent Vaping Ingredients, Yanira Baldovinos, Alexandra Archer, James C. Salamanca, Robert M. Strongin, Christie Sayes

Chemistry Faculty Publications and Presentations

Vaping devices have risen in popularity since their inception in 2007. The practice involves using a variety of commercially available devices. Internal heating systems in devices aerosolize e-liquid formulations of complex mixtures including an active ingredient (e.g., THC, CBD, and nicotine), diluents (or cutting agents), solvents, and flavoring agents (e.g., terpenes and aldehydes). The vaping toxicology literature consists of cytotoxicity studies of individual chemicals and commercial formulas. Because of the variation of e-liquid composition, there is a limited understanding of the toxicity of ingredient combinations. This study analyzed the cytotoxic effects after exposure to individual and binary mixtures of a …

Taking Action: Two Years After The Asp Diversity, Equity And Inclusion Committee’S Call To Action, Lesley Ann Giddings, Christine Salomon, Asp Dei Committee

Chemistry: Faculty Publications

TASP Newsletterhe three main goals of the ASP Diversity, Equity and Inclusion Committee are to (1) build a pipeline that overcomes structural barriers of entry for underrepresented groups of scientists who wish to engage in natural products research, (2) work with members of the ASP to create a more equitable, inclusive, and supportive community, and (3) recognize and highlight the contributions that members from underrepresented communities make to the ASP. In the summer of 2020, we published an article for the ASP Newsletter that described a series of actions to support these three goals. Here we provide an update on …

Application Of Nanodisc Technology To A Membrane-Bound P450: Functional Studies And Resonance Raman Studies On Cyp51a1, Yuanqi Jing

Dissertations (1934 -)

Membrane-bound cytochrome P450s are highly insoluble and tend to form aggregations in aqueous solution due to its hydrophobic N-terminal transmembrane anchor. The traditional methodology of studying membrane-bound proteins depends on the use of detergent; however, detergent solubilization of membrane P450s does not satisfy many criteria of biochemical and biophysical studies on membrane proteins. A well-developed Nanodisc technology has been proven to be an extraordinarily efficient method of studying membrane-bound P450s. The human sterol 14-demethylases (CYP51A1) are membrane-bound P450 enzymes that catalyze oxidative removal of the C32 methyl group of lanosterol by first forming an alcohol, then an aldehyde, and finally …

Evaluating The Impact Of Submarine Groundwater Discharge On Nutrients And Trace Elements In Coastal Systems: The Examples Of The Tuckean Swamp (Australia) And The Mississippi Sound (Usa), Amy Moody

Dissertations

Submarine groundwater discharge (SGD) is the advective flow of both fresh terrestrial groundwater and recirculating seawater through aquifer sediments, which is released into the coastal ocean. In this dissertation, I evaluated the impact of SGD on the distributions and input of trace metals and nutrients. In the Tuckean Swamp, an estuary in Australia dominated by coastal acid sulfate soils, I determined the impact of groundwater on Ba and U during the flood season, when the local aquifer is flushed out after a rapid increase in water table elevation. For Ba and U, groundwater contributed up to 18 and 66 % …

Self-Assembling Porous Supramolecular Networks Capable Of Post-Synthetic Modification With A New Approach To Reticular Design With Semiconductor Potential, Steven A. Sloope

Theses and Dissertations

In past decades, research in self-assembling supramolecular frameworks have been produced with vast surface area, inherent from their porous nature. Predesigning monomers in a reticular manner allows a framework’s structure to be known before self-assembly occurs. This is very helpful since high porosity is sought after for many purposes such as hosting guests within the framework, post-synthetic modifications, sensing and detection, selective catalysis, semiconduction, etc. Methods of design usually focus on forming intrinsic porosity and unfortunately, sometimes the network formed is not as expected and porosity is lost.

In Chapter 1, we discuss novel ways of network formation, their potential …

Computational Investigation Into Heteroleptic Photoredox Catalysts Based On Nickel(Ii) Tris-Pyridinethiolate For Water Splitting Reactions, Avik Bhattacharjee, Dayalis S.V. Brown, Trent E. Ethridge, Kristine M. Halvorsen, Alejandra C. Acevedo Montano, Theresa M. Mccormick

Chemistry Faculty Publications and Presentations

This work demonstrates a strategy to fine-tune the efficiency of a photoredox water splitting Ni(II) tris-pyridinethiolate catalyst through heteroleptic ligand design using computational investigation of the catalytic mechanism. Density functional theory (DFT) calculations, supported by topology analyses using quantum theory of atoms in molecules (QTAIM), show that the introduction of electron donating (ED) −CH3 and electron withdrawing (EW) −CF₃ groups on the thiopyridyl (PyS–) ligands of the same complex can tune the pK_a and E0, simultaneously. Computational modeling of two heteroleptic nickel(II) tris-pyridinethiolate complexes with 2:1 and 1:2 ED and EW −CH₃ and −CF_{3 …}

Redefining The Catalytic Hect Domain Boundaries For The Hect E3 Ubiquitin Ligase Family, Emma I. Kane, Steven A. Beasley, Johanna M. Schafer, Justine E. Bohl, Young Sun Lee, Kayla J. Rich, Elizabeth F. Bosia, Donald E. Spratt

Chemistry

There are 28 unique human members of the homologous to E6AP C-terminus (HECT) E3 ubiquitin ligase family. Each member of the HECT E3 ubiquitin ligases contains a conserved bilobal HECT domain of approximately 350 residues found near their C-termini that is responsible for their respective ubiquitylation activities. Recent studies have begun to elucidate specific roles that each HECT E3 ubiquitin ligase has in various cancers, age-induced neurodegeneration, and neurological disorders. New structural models have been recently released for some of the HECT E3 ubiquitin ligases, but many HECT domain structures have yet to be examined due to chronic insolubility and/or …

Deciphering The Molecular Circuitry That Controls Iron Regulation In Non-Pathogenic Yeast, Debolina Hati

Theses and Dissertations

The trace metal iron is essential for the survival of almost all living organisms. It is a co-factor for many proteins involved in a variety of vital functions such as respiration, nitrogen fixation, and DNA biosynthesis, to name a few. Iron homeostasis in non-pathogenic fungi such as Schizosaccharomyces pombe has been extensively studied over the past few decades to better understand how intracellular iron is regulated under different environmental conditions. Iron regulation in S. pombe is controlled by two Fe-responsive transcriptional repressors known as Php4 and Fep1. Both rely on iron-sulfur (Fe-S) clusters as signals to balance iron acquisition, storage, …

Characterization Of The Interaction Between Grx4-Bol2 And The Iron-Responsive Transcription Factor Aft1 In Candida Glabrata, Evan A. Talib

Theses and Dissertations

Iron is an indispensable protein cofactor that plays a critical role in biological functions such as cellular respiration. However, excess iron causes cellular damage via the generation of reactive oxygen species. To obtain optimal intracellular iron levels, eukaryotic cells have developed mechanisms to tightly regulate iron levels. The molecular mechanism for iron regulation in the pathogenic yeast Candida glabrata has not yet been explored, although this yeast bears iron regulation pathways that are very similar to the model yeast Saccharomyces cerevisiae. Understanding how C. glabrata regulates iron levels is critical for the treatment of infections caused by this opportunistic …

Mechanistic Insights Into An Iron-Responsive Repressor, Fep1, From Schizosaccharomyces Pombe, Allison Nicole Kimsey

Theses and Dissertations

Iron is an essential metal cofactor required for a variety of biochemical pathways in most living organisms. In recent years, the nonpathogenic fungi Schizosaccharomyces pombe has been used to study iron regulation and uncover the molecular mechanisms for controlling intracellular iron levels. Some of these regulation pathways are conserved with those of pathogenic fungi, making these studies applicable for the future development of antifungals that target iron homeostasis. In S. pombe, the GATA-type transcriptional repressor Fep1 is responsible for repressing iron uptake genes during times of iron abundance. Previous reports have proposed that the binding of an iron-sulfur (Fe-S) …

The Optimization Of Anion Exchange Membrane Fuel Cells And Water Electrolyzers By Varying Catalyst Design And Changing Gas Inlet Composition, Jasmine D. Bohannon

Theses and Dissertations

Researchers around the globe are looking to avoid the consequences of climate change by shifting away from the burning of fossil fuels as a source of energy. While using fossil fuels have negatively affected the earth’s climate for at least the last hundred and fifty years, the introduction of renewables looks to use abundant and naturally occurring resources. Sources of renewable energy include solar power, wind power, hydropower, geothermal energy, and biomass2 . These sources work by converting the abundant source into mechanical, electrical, or chemical energy that can be used to power industrial plants or residential areas and they …

Kinetics Of Isotope-Labeled Pathways In The Ozone Forming Recombination Reaction, Elizaveta Grushnikova

Dissertations (1934 -)

The ozone layer in Earth’s atmosphere is unique and plays a vital role in the development of life. Studying the mechanism behind ozone formation helps us understand the development of our planet’s atmosphere. We focus here on the anomalous mass-independent isotope effect.1 In 1981, Mauersberger et al.2 performed an experiment using weather balloons, resulting in the discovery of the anomalous isotope effect for ozone formation. Since then, other chemists have continued to investigate the theory behind this phenomenon. To understand the nature of the isotope effect, we must consider all stages of ozone formation. The basic reaction for ozone formation …

Stemficohort1preinterviewdata, Rebecca L. Sansom, Bryn Stclair, Jamie Jensen, Richard West

ScholarsArchive Data

The science, technology, engineering, and mathematics faculty institute (STEMFI) is a National Science Foundation funded project designed to provide support, measurement, and training to BYU faculty developing their own student-centered curriculum.

This PDF file contains pre-institute participation interview data from the first cohort of faculty involved in the STEM faculty institute (2018).

Mixed Quantum/Classical Theory For Collisional Quenching Of Pahs In The Interstellar Media, Bikramaditya Mandal, Carolin Joy, Alexander Semenov, Dmitri Babikov

Chemistry Faculty Research and Publications

A computationally affordable methodology is developed to predict cross sections and rate coefficients for collisional quenching and excitation of large molecules in space, such as PAHs. Mixed quantum/classical theory of inelastic scattering (MQCT) is applied, in which quantum state-to-state transitions between the internal states of the molecule are described using a time-dependent Schrodinger equation, while the scattering of collision partners is described classically using mean-field trajectories. To boost the numerical performance even further, a decoupling scheme for the equations of motion and a Monte Carlo sampling of the initial conditions are implemented. The method is applied to compute cross sections …

Reversible Dioxygen Binding To Co(Ii) Complexes With Noninnocent Ligands, Praveen Kumar, Laxmi Devkota, Maximilian C. Casey, Anne A. Fischer, Sergey V. Lindeman, Adam T. Fiedler

Chemistry Faculty Research and Publications

A series of mononuclear Co(II) complexes with noninnocent (redox-active) ligands are prepared that exhibit metal–ligand cooperativity during the reversible binding of O₂. The complexes have the general formula, [Co^II(L^S,N)(Tp^R2)] (R = Me, Ph), where L^S,N is a bidentate o-aminothiophenolate and Tp^R2 is a hydrotris(pyrazol-1-yl)borate scorpionate with R-substituents at the 3- and 5-positions. Exposure to O₂ at room temperature results in one-electron oxidation and deprotonation of L^S,N. The oxidized derivatives possess substantial “singlet diradical” character arising from antiferromagnetic coupling between an iminothiosemiquinonate (ITSQ^•–) …

Advances Of Biowaste-Derived Porous Carbon And Carbon–Manganese Dioxide Composite In Supercapacitors: A Review, A. Zekenova, M. Nazhipkyzy, Wanlu Li, A. Kalybayeva, G. Zhumanova, O. Zubova

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

One of the global problems is environmental pollution by different biowaste. To solve the problem, biowaste must be recycled. Waste-free technology is also a way of saving exhaustible raw materials. Research on electrochemical energy sources is currently the most dynamically developing area of off-grid energy. Electrochemical capacitors can operate for a long time without changing performance, they have smaller dimensions, high mechanical strength, and a wide operating temperature range. These properties are effective energy-saving devices. Therefore, supercapacitors are widely used in various industries. This review discussed the methods of obtaining and the characteristics of biowaste-derived activated carbon and carbon–manganese oxide …

Estimation Of The Bubble Point Pressure Of Multicomponent Reservoir Hydrocarbon Fluids, Benjamin Sunday Usen, Chidi Obi

Makara Journal of Science

This study developed a novel C-sharp (C#) programming language for the estimation of bubble point pressure (BPP) of various hydrocarbon mixtures at equilibrium state. The methodology was based on vapor–liquid equilibrium calculation using Peng Robinson equation of state implementation, thermodynamic equilibrium calculation and Newton-Raphson’s method for the successive substitution of the unknown variables. The equal fugacity constraint can be satisfied by obtaining the equilibrium which serves as a criterion for two or more phases to exist at equilibrium. The problem was resolved by searching for a pressure that will satisfy the two constraints. Complex calculation was performed by successively substituting …

Comparative Study Of Bismuth Ferrite Deposition Method On Tio2 Nanotube And Performance Of Hydrogen Evolution In A Photoelectrochemical Dye-Sensitized Solar Cell Tandem System, Yunita Yunita, Muhammad Iqbal Syauqi, Jarnuzi Gunlazuardi

Makara Journal of Science

Hydrogen is a renewable and environmentally friendly energy source that can replace fossil fuels by utilizing solar energy through water splitting. The hydrogen production was conducted in this research by using a tandem system of dye-sensitized solar cell–photoelectrochemical cell (DSSC–PEC) and a TiO₂ nanotube coated with BiFeO₃ (BiFeO₃/TNT) as a photoanode in the PEC. The deposition of BiFeO₃ on TNT was prepared using the following three methods: successive ionic layer adsorption and reaction (SILAR), ultrasonication-assisted SILAR, and ultrasonic– immersion method by varying the number of deposition cycles in each method. In this study, the optimum …

Structural And Functional Studies Of Mtr4 And The Tramp Rna Surveillance Complex, Sean Johnson

Funded Research Records

No abstract provided.

Generation Of Geochemical Exploration Targets From Regional Stream Sediment Data Using Principal Component And Factor Analysis: A Case Study Of Kibaya-Kiteto, Manyara-Tanzania, Yusto J. Shine, Charles D. Moye, Godfrey J. Mallya, Ambaliche L. Tamambele

Tanzania Journal of Science

A regional-scale stream sediment geochemical sampling was carried out with an average sampling density of one sample per nine square-kilometre in Kiteto District, Manyara Region. A total of 358 stream sediment samples were collected and analysed for major and trace elements by X-ray fluorescence (XRF) and fire assay with atomic absorption spectrometry (AAS) finish methods. In this study, Factor and Principal Component Multivariate (FPCM) analyses have been used to the stream geochemical data to delineate potential mineralization zones by plotting correlated factors as geochemical anomaly maps. Four factors that account for 73.7% of the total variance of the stream sediment …

Mineralogy And Geochemistry Of The Asanje Iron Ore Deposit Within The Mayamaya-Hombolo Belt, Dodoma Region, Central Tanzania, Yusto J. Shine, Michael M. Msabi, Jagarlamudi Seetharamaiah

Tanzania Journal of Science

This paper presents the mineralogy and chemical composition including iron ore impurities to ascertain its suitability for industrial applications. The Asanje iron ore deposit is hosted in Precambrian volcano-sedimentary rocks in the Mayamaya-Hombolo Belt in Dodoma region, within the Lake Nyanza Superterrane. Iron ores are found in two parallel ridges trending NW-SE. Ridge I occurs as vein and banded hematite-type ore and Ridge II as massive-type ore. A total of 24 ore samples were analysed for major and trace elements by XRF and petrographic studies by optical microscopy and XRD. The XRD results revealed that hematite and goethite are the …

Evaluation Of Natural Antifungal Compounds From Artemisia Afra And Its Effectiveness On Prevention Of Aflatoxins, Noela G. Kilenga, Daniel Maeda, Oscar Kibazohi, Lilian D. Kaale

Tanzania Journal of Science

Artemisia afra is a medicinal plant with antimicrobial activities, known to treat tuberculosis, measles, cough, and influenza. In consequence, its applications have increasingly become pivotal to control various microbes which cause different diseases. This study therefore, evaluated the chemical composition and the antifungal activity of A. afra essential oil. The extraction of essential oil was done using steam distillation. The essential oil chemical composition was analysed by GC-MS. The analysis revealed 19 compounds from A. afra. The main compounds were borneol (71.529%), terpinen-4-ol (8.582%), β-thujone (3.283%), β-terpineol (2.590%), α-terpineol (1.791%), chrysanthenone (1.507%), myrtenal (1.393%), eucalyptol (1,8-cineole) (1.263%), cis-sabinene hydrate (1.172%) …