Chemistry Commons^™

Comparison Of Chalk Types And Their Ghosting Effects, Felicienne Alexandre, Shoshanna Coon, Kirk Manfredi

Summer Undergraduate Research Program (SURP) Symposium

Chalkboard ghosting is a faint image on a chalkboard's surface after writing is erased. Many types of chalk leave a positive image, while the Crayola An-du-septic Anti-dust chalk leaves a negative image. To better understand what cause the ghosting effects, two different types of Crayola chalk (regular and anti-dust) were investigated. Raman spectroscopy and infrared (IR) spectroscopy were used to determine the majority material the chalk was made of, by comparison with pure substances. To identify the organic compound binders holding the chalk sticks together, pulverized chalk was immersed in 40 mL of toluene for at least 30 minutes. After …

Identification Of Fungi And Their Secondary Metabolites From Wind Cave [Poster], Kyle J. Biscoglia, Kirk Manfredi Ph.D.

Summer Undergraduate Research Program (SURP) Symposium

Eighteen fungal samples were isolated from samples of water collected in Wind Cave, South Dakota. Ten of the samples underwent chemical extraction, a growth inhibition test, and were analyzed using proton nuclear magnetic resonance spectroscopy and liquid chromatography-mass spectroscopy. All eighteen of the fungal samples were able to be identified to the genus level using the ITS region of their DNA, however confident identification of the species level was more difficult to attain just looking at one portion of the sequence.

The Phosphorescence Of Wind Cave Cavern, And The Level Of Organics Associated With It, Steven Gomez, Joshua Sebree

Summer Undergraduate Research Program (SURP) Symposium

An analysis of the level of organics in Wind Cave Cavern, South Dakota.

Fabrication Of Electrospun Nanofiber Composite Of G-C3n4 And Au Nanoparticles As Plasmonic Photocatalyst, Dipendu Saha, Pasquale Gismondi, Kurt W. Kolasinski, Samantha L. Shumlas, Sylvie Rangan, Babak Eslami, Amy Mcconnell, Taevaughn Bui, Kayla Cunfer

Chemistry Faculty Publications

In this research, we have fabricated a composite nanofiber mat of plasmonic photocatalyst consisting of g-C3N4, gold nanoparticles (AuNPs) and random nanofibers of polyvinylidene fluoride (PVDF) by electrospinning. The structure and chemical properties of the nanofiber mat were investigated in detail by ESEM, TEM, AFM, XPS, FTIR, XRD, TGA, PL spectroscopy and UV-Vis reflectance spectra. Imaging of the composite map confirmed that the fiber diameter was in the range of 100-400 nm with the g-C3N4 size in the range of 2-8 μm. Backscattered (Zcontrast) electron imaging in ESEM revealed that the AuNP particle size is in the range of 60-160 …

Designing Atomic Edge Structures In 2d Transition Metal Dichalcogenides For Improved Catalytic Activity, Raymond R. Unocic, Xiahan Sang, Guoxiang Hu, Victor Fung, Jingsong Huang, Matthew G. Boebinger, Kai Xiao, Panchapakesan Ganesh

Publications and Research

Designing new materials for functional applications depends upon our ability to understand and correlate the materials structure and chemistry to functional material properties. This is even more important for two-dimensional (2D) materials where thicknesses are on the order of a single atom to a few-atomic layers; therefore, any structural or chemical modification at these length scales can have a profound effect on modifying physical and chemical properties. 2D transition metal dichalcogenides (TMDs) such as MoS2 have emerged as a promising catalyst for the hydrogen evolution reaction with defects such as vacancies and edges being linked to high catalytic active sites …

Bifunctional Bf2 Complexes Of Polydentate Bis(Amidinates): Synthesis, Structures, And Photoluminescence Properties, Alvaro Calderon-Diaz

Master of Science in Chemical Sciences Theses

Five novel bis(difluoroboryl)-bis(amidinates) L^1-5(BF₂)₂ were synthesized in yields of 12−33%. Ethylene-linked bis(difluoroboryl)-bis(amidinates) represent an unprecedented class of new bifunctional fluorophores that have the potential to serve as air stable indicators and sensors for applications in medicine, materials science, and supramolecular chemistry.

The syntheses of the precursor bis(amidines) L^1-5H₂ were carried out through a proven three-step method of by treating 2 equivalents of pivoloyl chloride with ethylene diamine in CH₂Cl₂ to yield a bis(amide) as a colorless powder in 76% yield. The bis(amide) was subsequently reacted with 2 equivalents of …

Electrochemical Studies Of Poly 3-(4-Methoxyphenyl)[5] Ferrocenophane-1,5-Dimethylene And Copolymers With Styrene And N-Phenylmaleimide, Niyati Arora

Electronic Theses & Dissertations

Ferrocene is an organometallic compound in which an iron atom is sandwiched between two cyclopentadienyl rings. Ferrocene containing polymers receive a considerable amount of research because of their known chemistry, stable redox reactions and useful electrical systems. Noteworthy are their uses as electrode coatings, electro-catalysts and as an anode in battery applications. In this research, the synthesis and polymerization of a ferrocenophane diene is reported. Using a Wittig reaction 3-(4-methoxyphenyl)[5]ferrocenophane-1,5-dimethylene was synthesized from 3-(4-methoxyphenyl)[5]ferrocenophane-1,5-dione. The homopolymer and copolymers with styrene and N-phenylmaleimide were synthesized via free radical polymerization from 3-(4-methoxyphenyl)[5]ferrocenophane-1,5-dimethylene using AIBN as the initiator. These polymers were characterized using …

Synthesis Of Small Molecules For The Treatment Of Infectious Diseases, Elena Bray

USF Tampa Graduate Theses and Dissertations

Drug discovery’s impact on modern healthcare cannot be measured. In the past year, the world has watched scientists all around the globe work together to help protect the public from the novel coronavirus pandemic. Although sometimes slow and costly, drug discovery is important for advancing modern society. Drug discovery is at the core of treating diseases and in particular, infectious diseases. In the first chapter an overview of drug discovery will be discussed in a brief manner.

The second chapter will introduce infectious diseases. In modern society, the development of small molecule treatments for treating bacteria, viruses, and fungi has …

Chemical Waste Management In Educational Institutions, Zuy Maria Magriotis, Adelir Aparecida Saczk, Hélvia Mara Ribeiro Salgado, Isael Aparecido Rosa

Journal of Environmental Science and Sustainable Development

Green universities and Education for Sustainable Development have an important role in reaching a sustainable society. However, there is many gaps in this area. This study aimed to report the implementation and the results of the Chemical Waste Management Program (CWMP) of the Federal University of Lavras (UFLA). The CWMP have been implemented in 2009 to solve the existing environmental problem of inadequate disposal of chemical waste generated in UFLA’s laboratories. In order to carry out the CWMP actions, the Chemical Waste Management Laboratory (CWML) was created in 2009, with the function of collecting, treating, and giving a final destination …

Pt-Containing Conjugated Polymers And Small Molecules For Bhj Photovoltaic Devices, Yunjeong Kwon

Chemistry and Chemical Biology ETDs

The current state of organic photovoltaic (OPV) devices involve series of small molecular or polymeric systems that can absorb light from the solar spectrum in concert with another material that acts as an acceptor material. Together these materials serve to generate and split bound excitation species then transport the separate charges to their respected electrode. Several limitations have restricted the widescale use of these materials. Since these devices have their genesis in organic materials the OPV devices inherit short exitonic lifetimes, narrow absorption window and a lack of precise control over the morphology. To overcome these limitations, additional molecular engineering …

A Sustainable Approach To Cathode Delamination Using A Green Solvent, Onurcan Buken, Kayla Mancini, Amrita Sarkar

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Designing an environment-friendly delamination process for an end-of-life (EoL) composite cathode is a crucial step in direct cathode recycling. In this study, the green solvent dimethyl isosorbide (DMI) is explored to extract cathode active materials (AMs) from the Al current collector via dissolving the polyvinylidene fluoride (PVDF) binder. Mechanistic insight suggests that binder removal from the Al substrate proceeds via reducing polymer interchain interaction through DMI penetrating into the PVDF crystalline region. Polymer-solvent interaction may increase via establishing hydrogen bond between PVDF and DMI, which facilitates binder removal. Analytical characterizations including 1H NMR, FTIR, XRD and SEM-EDS reveal that the …

Biomaterials With Structural Hierarchy And Controlled 3d Nanotopography Guide Endogenous Bone Regeneration, Shixuan Chen, Hongjun Wang, Valerio Luca Mainardi, Giuseppe Talò, Alec Mccarthy, Johnson V. John, Matthew J. Teusink, Liu Hong, Jingwei Xie

Department of Chemistry: Faculty Publications

Biomaterials without exogenous cells or therapeutic agents often fail to achieve rapid endogenous bone regeneration with high quality. Here, we reported a class of three-dimensional (3D) nanofiber scaffolds with hierarchical structure and controlled alignment for effective endogenous cranial bone regeneration. 3D scaffolds consisting of radially aligned nanofibers guided and promoted the migration of bone marrow stem cells from the surrounding region to the center in vitro. These scaffolds showed the highest new bone volume, surface coverage, and mineral density among the tested groups in vivo. The regenerated bone exhibited a radially aligned fashion, closely recapitulating the scaffold’s architecture. The organic …

Method Development Of Standard Dilution Analysis On Molecules And Dissolution Studies Of Ibuprofen Tablets Along With Common Beverage Constituents, Scott Richardson

Master of Science in Chemical Sciences Theses

The United States Pharmacopeia sets the standards for the manufacturing, storage, and analysis of medicinal formulations. One analysis, dissolution testing evaluates the rate at which the medicinal formulation forms a solution to predict in vivo drug release. Dissolution testing on ibuprofen tablets alone and in the presence of ascorbic acid or caffeine was performed to mimic the administration using orange juice or caffeinated soft drinks to assess their impact on the dissolution rate of ibuprofen. Results using the external calibration method produced a dissolution rate of ibuprofen that decreased 4% in the presence of ascorbic acid and increased 1% in …

Degumming Of Hemp Fibers Using Combined Microwave Energy And Deep Eutectic Solvent, Bulbul Ahmed

LSU Master's Theses

Hemp is considered as one of the sustainable agricultural fiber materials. Degumming or surface modification of hemp bast is needed to produce single fibers for ensuing textile and industrial applications. The traditional degumming process necessitates a high amount of alkali, which causes detrimental environmental pollution. This study offers a new method to degum hemp fibers with reduced use of harmful alkali and precious water resources. In this work, hemp bast fibers were degummed by using combined microwave energy and deep eutectic solvent (DES). The properties of hemp fibers manufactured by this method were investigated and compared with the traditional alkali …

Morphology Transformation Of Foldamer Assemblies Triggered By Single Oxygen Atom On Critical Residue Switch, Byung-Chang Oh, Eunyoung Yoon, Jintaek Gong, Jaewook Kim, Russell W. Driver, Yongjun Kim, Woo Youn Kim, Hee-Seung Lee

Chemistry and Physics Faculty Articles

The synthesis of morphologically well-defined peptidic materials via self-assembly is challenging but demanding for biocompatible functional materials. Moreover, switching morphology from a given shape to other predictable forms by molecular modification of the identical building block is an even more complicated subject because the self-assembly of flexible peptides is prone to diverge upon subtle structural change. To accomplish controllable morphology transformation, systematic self-assembly studies are performed using congener short β-peptide foldamers to find a minimal structural change that alters the self-assembled morphology. Introduction of oxygen-containing β-amino acid (ATFC) for subtle electronic perturbation on hydrophobic foldamer induces a previously inaccessible solid-state …

Motif Wfyy Of Human Primpol Is Crucial To Stabilize The Incoming 3′-Nucleotide During Replication Fork Restart, Patricia R. Calvo, María I. Martínez-Jiménez, Marcos Díaz, Gorazd Stojkovic, Kazutoshi Kasho, Susana Guerra, Sjoerd Wanrooij, Juan Méndez, Luis Blanco

Chemistry and Physics Faculty Articles

PrimPol is the second primase in human cells, the first with the ability to start DNA chains with dNTPs. PrimPol contributes to DNA damage tolerance by restarting DNA synthesis beyond stalling lesions, acting as a TLS primase. Multiple alignment of eukaryotic PrimPols allowed us to identify a highly conserved motif, WxxY near the invariant motif A, which contains two active site metal ligands in all members of the archeo-eukaryotic primase (AEP) superfamily. In vivo and in vitro analysis of single variants of the WFYY motif of human PrimPol demonstrated that the invariant Trp⁸⁷ and Tyr⁹⁰ residues are essential …

Torsional Profiles Of Thiophene And Furan Oligomers: Probing The Effects Of Heterogeneity And Chain Length, Morgan A. Perkins, Laura M. Cline, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

A systematic analysis of the torsional profiles of 55 unique oligomers composed of two to four thiophene and/or furan rings (n = 2 to 4) has been conducted using three density functional theory (DFT) methods along with MP2 and three different coupled-cluster methods. Two planar or quasi-planar minima were identified for each n = 2 oligomer system. In every case, the torsional angle (τ) between the heteroatoms about the carbon-carbon bond connecting the two rings is at or near 180° for the global minimum and 0° for the local minimum, referred to as anti and syn conformations, respectively. These oligomers …

Desorption Of Non-Exchangeable Radiocesium In Soil From Fukushima Prefecture, Japan, Grayson Phillips

Master of Science in Chemical Sciences Theses

The Fukushima Daiichi Nuclear Powerplant was struck by an earthquake and a tsunami resulting in the meltdown of four of the six reactor cores operating at the plant. As a result, nuclear waste was released from the plant, contaminating the soil in the region. Most of the contamination was sequestered within the few inches of the soil but unluckily the contamination, radiocesium formed a non-exchangeable bond. The Japanese government bagged this soil and has stored it in fields surrounding the exclusion zone. Long-term storage facilities have not been determined. This is a study of the available resources to determine if, …

Bridging The 12-6-4 Model And The Fluctuating Charge Model, Pengfei Li

Chemistry: Faculty Publications and Other Works

Metal ions play important roles in various biological systems. Molecular dynamics (MD) using classical force field has become a popular research tool to study biological systems at the atomic level. However, meaningful MD simulations require reliable models and parameters. Previously we showed that the 12-6 Lennard-Jones nonbonded model for ions could not reproduce the experimental hydration free energy (HFE) and ion-oxygen distance (IOD) values simultaneously when ion has a charge of +2 or higher. We discussed that this deficiency arises from the overlook of the ion-induced dipole interaction in the 12-6 model, and this term is proportional to 1/r …

Genotoxicity And Inflammatory Potential Of Stainless Steel Welding Fume Particles: An In Vitro Study On Standard Vs Cr(Vi)-Reduced Flux-Cored Wires And The Role Of Released Metals., Sarah Mccarrick, Valentin Romanovski, Zheng Wei, Elin M Westin, Kjell-Arne Persson, Klara Trydell, Richard Wagner, Inger Odnevall, Yolanda S Hedberg, Hanna L Karlsson

Chemistry Publications

Welders are daily exposed to various levels of welding fumes containing several metals. This exposure can lead to an increased risk for different health effects which serves as a driving force to develop new methods that generate less toxic fumes. The aim of this study was to explore the role of released metals for welding particle-induced toxicity and to test the hypothesis that a reduction of Cr(VI) in welding fumes results in less toxicity by comparing the welding fume particles of optimized Cr(VI)-reduced flux-cored wires (FCWs) to standard FCWs. The welding particles were thoroughly characterized, and toxicity (cell viability, DNA …

Mechanistic Insights Into Iron-Catalyzed C–H Bond Activation And C–C Coupling, Samantha M. Brewer, Timothy M. Schwartz, Magy A. Mekhail, Lara S. Turan, Timothy J. Prior, Timothy J. Hubin, Benjamin G. Janesko, Kayla N. Green

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Iron-catalyzed C–C coupling reactions of pyrrole provide a unique alternative to the traditional Pd-catalyzed counterpart. However, many details regarding the actual mechanism remain unknown. A series of macrocyclic iron(III) complexes were used to evaluate specifics related to the role of O₂, radicals, and μ-oxodiiron-complex participation in the catalytic cycle. It was determined that the mononuclear tetra-azamacrocyclic complex is a true catalyst and not a stoichiometric reagent, while more than one equivalent of a sacrificial oxidant is needed. Furthermore, the reaction does not proceed through an organic radical pathway. μ-Oxodiiron complexes are not involved in the main catalytic pathway, …

Structural And Biochemical Characterization Of The Flavin-Dependent Siderophore-Interacting Protein From Acinetobacter Baumannii, Hannah Valentino, David A. Korasick, Tabbetha J. Bohac, Justin A. Shapiro, Timothy A. Wencewicz, John J. Tanner, Pablo Sobrado

Chemistry Faculty Research & Creative Works

Acinetobacter baumannii is an opportunistic pathogen with a high mortality rate due to multi-drug-resistant strains. The synthesis and uptake of the iron-chelating siderophores acinetobactin (Acb) and preacinetobactin (pre-Acb) have been shown to be essential for virulence. Here, we report the kinetic and structural characterization of BauF, a flavin-dependent siderophore-interacting protein (SIP) required for the reduction of Fe (III) bound to Acb/pre-Acb and release of Fe(II). Stopped-flow spectrophotometric studies of the reductive half-reaction show that BauF forms a stable neutral flavin semiquinone intermediate. Reduction with NAD(P)H is very slow (kobs, 0.001 s-1) and commensurate with the rate of reduction by photobleaching, …

The Development And Application Of Instrumental Methods For The Identification Of Materials And Processes Used In The Manufacture Of Orotone, Hand-Colored Orotone, And Silvertone Photographs, Ivanny Jeannette Jácome-Valladares

Dissertations and Theses

Orotone photographs are positive photographic images on glass with a gold-colored metallic coating or backing. Although the materials and process used in the production of orotones have been previously documented, there is limited published scientific research on the subject. This study focused on expanding those published works by analyzing a greater number of photographs, including eleven orotones, four hand-colored orotones, two silvertones, and one uncoated orotone. The photographs, dating from the early to mid-20^th century, were from the University of Washington (UW) Libraries' collection, except for one orotone that was from the Portland Art Museum.

X-ray Fluorescence (XRF) spectroscopy, …

Structure-Guided Microbial Targeting Of Antistaphylococcal Prodrugs, Justin J. Miller, Ishaan T. Shah, Jayda Hatten, Yasaman Barekatain, Elizabeth A. Mueller, Ahmed M. Moustafa, Rachel L. Edwards, Cynthia S. Dowd, Geoffrey C. Hoops, R Jeremy Johnson

Scholarship and Professional Work - LAS

Carboxy ester prodrugs are widely employed to increase oral absorption and potency of phosphonate antibiotics. Prodrugging can mask problematic chemical features that prevent cellular uptake and may enable tissue-specific compound delivery. However, many carboxy ester promoieties are rapidly hydrolyzed by serum esterases, limiting their therapeutic potential. While carboxy ester-based prodrug targeting is feasible, it has seen limited use in microbes as microbial esterase-specific promoieties have not been described. Here we identify the bacterial esterases, GloB and FrmB, that activate carboxy ester prodrugs in Staphylococcus aureus. Additionally, we determine the substrate specificities for FrmB and GloB and demonstrate the structural basis …

Health Disparity And Covid-19—A Retrospective Analysis, Sanjay Sarkar, Archie Taylor, Pratik Dutta, Bidisha Sengupta, Debarshi Roy

Faculty Publications

Background and Aims

According to the World Health Organization (WHO), more than 75.7 million confirmed cases of coronavirus disease 2019 (COVID-19), a global pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), have been reported so far. Researchers are working relentlessly to find effective solutions to this catastrophe, using genomic sequence-based investigation, immunological analysis, and more. The role of health disparity has also emerged as an intriguing factor that made a huge impact on the lives of people.

Methods

We analyzed various factors that triggered the health disparity in the United States of America along with the rate of …

Hydrochloric Acid Modification And Lead Removal Studies On Naturally Occurring Zeolites From Nevada, New Mexico, And Arizona, Garven M. Huntley, Rudy Luck, Michael Mullins, Nick Newberry

Michigan Tech Publications, Part 1

Four naturally occurring zeolites were examined to verify their assignments as chabazites AZLB-Ca and AZLB-Na (Bowie, Arizona) and clinoptilolites NM-Ca (Winston, New Mexico) and NV-Na (Ash Meadows, Nevada). Based on powder X-ray diffraction, NM-Ca was discovered to be mostly quartz with some clinoptilolite residues. Treatment with concentrated HCl (12.1 M) acid resulted in AZLB-Ca and AZLB-Na, the chabazite-like species, becoming amorphous, as confirmed by powder X-ray diffraction. In contrast, NM-Ca and NV-Na, which are clinoptilolite-like species, withstood boiling in concentrated HCl acid. This treatment removes calcium, magnesium, sodium, potassium, aluminum, and iron atoms or ions from the framework while leaving …

Visualizing Amino Acid Substitutions In A Physicochemical Vector Space, Louis R. Nemzer

Chemistry and Physics Faculty Articles

A three-dimensional representation of the twenty proteinogenic amino acids in a physicochemical space is presented. Vectors corresponding to amino acid substitutions are classified based on whether they are accessible via a single-nucleotide mutation. It is shown that the standard genetic code establishes a “choice architecture” that permits nearly independent tuning of the properties related with size and those related with hydrophobicity. This work sheds light on the metarules of evolvability that may have shaped the standard genetic code to increase the probability that adaptive point mutations will be generated. An illustration of the usefulness of visualizing amino acid substitutions in …

Peptide Corrination For The Mitigation Of Nausea And Emesis In The Treatment Of Type 2 Diabetes, Ian Tinsley

Dissertations - ALL

This thesis addresses several questions focused on the activation of receptors expressed withinthe area postrema (AP) and the nucleus tractus solitarius (NTS), regions known to influence nausea and emesis. Prevention of such effects were achieved via corrination, covalent attachment to vitamin B12 (B12) or other corrin constructs, of GLP glucagon-like peptide-one (GLP-1) receptor (GLP-1R) agonists or via the use of GRASP a growth differentiation factor 15 (GDF15) glial derived neurotropic family receptor α-like (GFRAL) complex antagonist.

Stereocontrolled Mannosylation By Hydrogen-Bond-Mediated Aglycone Delivery, Catherine Alex

Dissertations

Stereocontrolled Mannosylation by Hydrogen-Bond-Mediated Aglycone Delivery

Carbohydrates are the essential bio-molecules of life as they form the forefront of interactions with receptors, proteins, pathogens, or neighboring cells. On cell-surfaces, carbohydrates are mostly found as linear or branched glycoconjugates, and a majority of them are linked via either 1,2-cis or 1,2-trans O-glycosidic linkages. There is no template-driven pathway for achieving the synthesis of glycans unlike other biomolecules like proteins and nucleic acids. The synthesis of 1,2-trans glycosides can be reliably achieved via the neighboring group assistance. The synthesis of 1,2-cis glycosides is difficult because, beyond weak anomeric effects, there are …

Aromatic Substitution: Another View, Charles A. Kingsbury

Department of Chemistry: Faculty Publications

Electrophilic substitution on substituted benzenes is reviewed in terms of molecular orbitals. The HOMO falls into two classes. For all meta director C-X groups, a node passes through the ring and through the substituent C-X bond. With ortho/para director C-X groups, a node perpendicular to the one described above, passes through the ortho-meta bonds.