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Spectroscopic Analysis Of Potential Astromolecules Via Quantum Chemical Quartic Force Fields, Mason Gardner 2021 University of Mississippi

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 ...


Thorium Dioxide Extraction From Monazite Ore, Jason Pan, Niall Phelan Terry, Katherine Glass, Eli Jenkins, Connor High 2021 University of Tennessee, Knoxville

Thorium Dioxide Extraction From Monazite Ore, Jason Pan, Niall Phelan Terry, Katherine Glass, Eli Jenkins, Connor High

Chancellor’s Honors Program Projects

No abstract provided.


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 2021 Missouri University of Science and Technology

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 calculations.


Mitigation Of Odor And Gaseous Emissions From Swine Barn With Uv-A And Uv-C Photocatalysis, Myeongseong Lee, Jacek A. Koziel, Wyatt Murphy, William S. Jenks, Baitong Chen, Peiyang Li, Chumki Banik 2021 Iowa State University

Mitigation Of Odor And Gaseous Emissions From Swine Barn With Uv-A And Uv-C Photocatalysis, Myeongseong Lee, Jacek A. Koziel, Wyatt Murphy, William S. Jenks, Baitong Chen, Peiyang Li, Chumki Banik

Agricultural and Biosystems Engineering Publications

UV-A (ca. 365 nm wavelength, a.k.a. ‘black light’) photocatalysis has been investigated to comprehensively mitigate odor and selected air pollutants in the livestock environment. This study was conducted to confirm the performance of UV-A photocatalysis on the swine farm. The objectives of this research were to (1) scale-up of the UV-A photocatalysis treatment, (2) evaluate the mitigation of odorous gases from swine slurry pit, (3) test different UV sources, (4) evaluate the effect of particulate matter (PM) and (5) conduct preliminary economic analyses. We tested UV-A photocatalysis at a mobile laboratory-scale capable of treating ~0.2–0.8 ...


Isolated Point Discharges Into Coastal Swashes As Nutrient Sources To Coastal Waters, Mary E. Olsen 2021 Coastal Carolina University

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 ...


Pectin And Alginate Extraction To Treat Liquid Cafo Manure, Clare Sunderman 2021 Bowling Green State University

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 manure ...


Developing Advanced Electrodes And Electrolytes For Energy Storage Beyond Li Ion Batteries, Kevin V. Nielson 2021 Utah State University

Developing Advanced Electrodes And Electrolytes For Energy Storage Beyond Li Ion Batteries, Kevin V. Nielson

All Graduate Theses and Dissertations

Electric vehicles, smart phones, and portable computers are all powered by lithium-ion batteries. This is because Li-ion batteries can store more energy in less space than other battery technologies. Also, they are rechargeable and last for a long time. The most recent 2019 Nobel prize in chemistry was awarded to John Goodenough, M. Stanley Whittingham and Akira Yoshino “for the development of lithium-ion batteries”. Through their work, they have made possible cars that do not burn fossil fuels and phones that are wireless and portable. Not only can Li-ion power your phone, it is an incredibly efficient way to store ...


Synthesis And Conductivity Analysis Of A Methyl (Polyethylene Glycol) Comb Polymer, Olivia Fox 2021 University of Mississippi

Synthesis And Conductivity Analysis Of A Methyl (Polyethylene Glycol) Comb Polymer, Olivia Fox

Honors Theses

The overall goal of work in this field is to improve materials for use in a variety of applications in fuel cell and battery production. This thesis specifically investigates the synthesis of two variations of a methyl (polyethylene glycol) comb polymer electrolyte (MePEGnwhere n=7) to understand how the molecular structure of an ion-conducting polymer affects its electrochemical properties. The MePEG used in this synthesis contains seven ethylene glycol groups and was added to a poly (methylhydrosiloxane) comb polymer backbone. In the first sample, the polymer contained only the MePEG sidechain, and in the second sample, the polymer ...


Chemical Shift Assignments Of The N-Terminal Domain Of Psd95 (Psd95-Nt), Yonghong Zhang, Johannes W. Hell, James B. Ames 2021 The University of Texas Rio Grande Valley

Chemical Shift Assignments Of The N-Terminal Domain Of Psd95 (Psd95-Nt), Yonghong Zhang, Johannes W. Hell, James B. Ames

Chemistry Faculty Publications and Presentations

Postsynaptic density protein-95 (PSD95) contributes to the postsynaptic architecture of neuronal synapses and plays an important role in controlling synaptic plasticity. The N-terminal domain of PSD95 (residues 1–71, called PSD95-NT) interacts with target proteins (calmodulin, α-actinin-1 and CDKL5), which regulate the Ca2+-dependent degradation of glutamate receptors. We report complete backbone NMR chemical shift assignments of PSD95-NT (BMRB No. 50752).


Evaluation Of Tio2 Based Photocatalytic Treatment Of Odor And Gaseous Emissions From Swine Manure With Uv-A And Uv-C, Myeongseong Lee, Jacek A. Koziel, Wyatt Murphy, William S. Jenks, Baitong Chen, Peiyang Li, Chumki Banik 2021 Iowa State University

Evaluation Of Tio2 Based Photocatalytic Treatment Of Odor And Gaseous Emissions From Swine Manure With Uv-A And Uv-C, Myeongseong Lee, Jacek A. Koziel, Wyatt Murphy, William S. Jenks, Baitong Chen, Peiyang Li, Chumki Banik

Agricultural and Biosystems Engineering Publications

It is essential to mitigate gaseous emissions that result from poultry and livestock production to increase industry sustainability. Odorous volatile organic compounds (VOCs), ammonia (NH3), hydrogen sulfide (H2S), and greenhouse gases (GHGs) have detrimental effects on the quality of life in rural communities, the environment, and climate. This study’s objective was to evaluate the photocatalytic UV treatment of gaseous emissions of odor, odorous VOCs, NH3, and other gases (GHGs, O3—sometimes considered as by-products of UV treatment) from stored swine manure on a pilot-scale. The manure emissions were treated in fast-moving air using a ...


Biomedical Applications And Syntheses Of Selected Anthraquinone Dyes, Richard Sirard 2021 Liberty University

Biomedical Applications And Syntheses Of Selected Anthraquinone Dyes, Richard Sirard

Senior Honors Theses

Anthraquinones are aromatic organic compounds that have multiple applications in the biomedical field. Some anthraquinone-based compounds are used as fluorophores to contrast cell nuclei while others act as chemotherapeutic agents. However, there are not many fluorescent anthraquinone cell stains currently available. In this study, commercially available anthraquinone dyes, in addition to other dye families and compounds, were reviewed for their unique properties, advantages, and drawbacks. The development and characterization of three novel anthraquinone fluorophores revealed promising photophysical characteristics, like large Stokes shifts. One of the compounds, RBS3, was chosen for fixed and live cell staining and exhibited desirable biomedical properties ...


Modeling The Problem Of Integral Geometry On A Family Of Hyperbolic And Spherical Curves, Azamat Pirimbetov, N. Uteuliev, G. Djaykov 2021 Karakalpak State University

Modeling The Problem Of Integral Geometry On A Family Of Hyperbolic And Spherical Curves, Azamat Pirimbetov, N. Uteuliev, G. Djaykov

Karakalpak Scientific Journal

The problems of integral geometry in a strip on a family of curves of hyperbolic and spherical type are considered which have numerous applications in problems of geophysics, thermoacoustic and photoacoustic tomography. Explicit formulas are obtained for the Fourier image of the solution of integral geometry problems in the class of smooth compactly supported functions. Further, the obtained formulas are investigated for stability using numerical methods. To solve the problems, algorithms are constructed. Numerical and graphical results of applying these algorithms to solving the problems are presented.


Water Splitting By Mixed Chalcogenide Catalysts, Isabella Feltenstein 2021 Missouri University of Science and Technology

Water Splitting By Mixed Chalcogenide Catalysts, Isabella Feltenstein

Undergraduate Research Conference at Missouri S&T

The depleting supply of fossil fuels has led to deeper investigation of water-splitting as a sustainable energy source. Specifically, using transition metal chalcogenides to catalyze the water-splitting reaction through oxygen and hydrogen evolution reactions. While the decreasing electronegativity of the chalcogenide group increases their activity, it also decreases their stability, leading to the investigation of mixed anion chalcogenides in order to keep both the stability and activity high. This research will further the understanding and efficiency of water-splitting for energy storage and inspire more research in the future. In these experiments, cobalt telluroselenide (Cox-Tey-Sez) and nickel telluroselenide (Nix-Tey-Sez) catalysts were ...


Thermal, Mechanical, And Rehealing Properties Of Cross-Linked Ionene Networks, Katelyn Lindenmeyer 2021 Murray State University

Thermal, Mechanical, And Rehealing Properties Of Cross-Linked Ionene Networks, Katelyn Lindenmeyer

Honors College Theses

Polymers which contain ionic liquid groups have numerous applications in a wide variety of fields. Past research from our group has shown that IL-containing polymers which exist in covalently crosslinked networks can exhibit good ionic conductivities despite the hindrance in polymer chain mobility and relaxation. In part one of this thesis, efforts to create ionic networks which have the capability of being rehealed after exposure to an external stimulus are discussed. Thermoreversible maleimide-furan chemistry was incorporated into an imidazolium-containing ionene network. Maleimide-terminated, imidazolium-containing monomers were coupled with furan-functionalized monomers, prepared from commercially available multifunctional acrylates. Thermal, mechanical and rheological characterization ...


Effect Of Precise Control Of Crosslink Density On The Thermal, Mechanical, And Conductive Properties Of Covalently Crosslinked Ionene Networks, Alexander Thome 2021 Murray State University

Effect Of Precise Control Of Crosslink Density On The Thermal, Mechanical, And Conductive Properties Of Covalently Crosslinked Ionene Networks, Alexander Thome

Honors College Theses

Ionic liquids (ILs), besides being well known as environmentally friendly solvents, have attracted attention for a wide variety of other applications, including gas separation, 3D-printing and electrochemical actuators. However, for many such applications, incorporation of the IL moiety into a polymeric material eliminates the use of mechanically unstable free ILs while maintaining many of their electrochemical benefits. Such polymers can take two basic forms: poly(ionic liquid)s are ion-containing polymers in which the IL group is attached pendant to the polymeric backbone, while ionenes are ion-containing polymers in which the IL group is anchored directly into the backbone of ...


Chemically Resolved Nuclear Spin Relaxation, Megan Sly 2021 Missouri University of Science and Technology

Chemically Resolved Nuclear Spin Relaxation, Megan Sly

Undergraduate Research Conference at Missouri S&T

In Nuclear Magnetic Resonance (NMR) Spectroscopy, the excitation of nuclear spins is used to generate spectra of radiofrequency resonance signals. The signal frequencies are typically used to determine the structure of chemical compounds, while the relaxation of the spins to thermodynamic equilibrium provides useful information about the molecular vicinity of a material. When a chemical compound occurs in different molecular environments, a single resonance signal can have multiple relaxation times. To quantify how much material is in how many different environments, a multi-exponential analysis was developed resolving resonance signals and relaxation times in two-dimensional contour plots. Samples of known resonance ...


Amorphous Carbon Aerogels From Xerogel Powders, Daniel Greenan 2021 Missouri University of Science and Technology

Amorphous Carbon Aerogels From Xerogel Powders, Daniel Greenan

Undergraduate Research Conference at Missouri S&T

Carbon aerogels are well known for their high surface areas and high porosities. Their applications have been demonstrated in a wide range of areas such as CO2 capture, electrodes for electrochemical cells, etc. They are typically made from pyrolysis of carbonizable polymeric aerogels, which in turn are synthesized via sol-gel methods. Preparation of those polymeric aerogels involves supercritical fluid drying of wet-gels by replacing the pore-filling solvent with liquid CO2 that can be vented off as a gas, thus allowing pores to retain their shape and size. In contrast, here a new alternative route is proposed for the synthesis of ...


Interrogating The Functions Of The Histone H2a Repression Domain In Relation To Cell-Cycle Progression In Saccharomyces Cerevisiae, Taylor Nattress 2021 Susquehanna University

Interrogating The Functions Of The Histone H2a Repression Domain In Relation To Cell-Cycle Progression In Saccharomyces Cerevisiae, Taylor Nattress

Senior Scholars Day

In eukaryotic cells, DNA is wrapped around histone proteins to form the basic repeating unit of chromatin, the nucleosome core particle. Most nucleosomes consist of two copies each of histones: H2A and H2B in a heterodimer and histones H3 and H4 in a heterotetramer. Because of their intimate association with DNA, histones regulate all DNA-templated processes such as transcription, DNA replication, and DNA damage response and repair. Several studies have illustrated the importance of a small portion of the histone H2A amino terminal domain which regulates global transcription. This domain is responsible for the repression of ~4% of the yeast ...


Using Tattoo Inks To Develop Undergraduate General Chemistry And High School Level Chemistry Students’ Understanding Of Atomic Emission, Emma Horoszewski 2021 Binghamton University--SUNY

Using Tattoo Inks To Develop Undergraduate General Chemistry And High School Level Chemistry Students’ Understanding Of Atomic Emission, Emma Horoszewski

Undergraduate Honors Theses

An effective way to promote student engagement in the laboratory is to substitute traditional reagents for recognizable, real-world products. In this work, two laboratory experiments are outlined – one geared toward undergraduate general chemistry students and one for high school introductory level chemistry students – which replace solutions of metal salts with tattoo inks in the classic flame test experiment. The main objective of both experiments is to familiarize students with the subatomic mechanism occurring during atomic emission. Additionally, the undergraduate level experiment features the use of spectroscopy to identify metals present within tattoo inks through analysis of atomic emission spectra.


041— Fiber Decomposition And Pretreatment Analysis Of Cannabis Sativa L.: Hemp, Dina Bu, Jessica Roggie, Sarah Schmidlin, Barnabas Gikonyo 2021 SUNY Geneseo

041— Fiber Decomposition And Pretreatment Analysis Of Cannabis Sativa L.: Hemp, Dina Bu, Jessica Roggie, Sarah Schmidlin, Barnabas Gikonyo

GREAT Day

Hemp is a subspecies of Cannabis sativa L. along with marijuana, yet the two differ in chemical constituent levels of delta-9-tetrahydrocannabinol (THC) and cannabidiol (CBD). Hemp contains 0.3% THC, compared to marijuana 17.1%, allowing it to be a safe and compelling biomass for investigation. The refined products of hemp are vast due to its fast-growing properties; therefore various commercial industries have included refined hemp in biofuels, biodegradable plastics, textiles, dietary supplements, paper, clothing, and much more. Construction and manufacturing applications have also been seen to include hemp to strengthen their composite products. The high-yielding, sustainable, and environmentally friendly ...


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