Chemistry Commons^™

Speciation Of Technetium In Carbonate Media Under Helium Ions And Γ Radiation, Mohammad Ghalei, Johan Vandenborre, Frederic Poineau, Guillaume Blain, Pier-Lorenzo Solari, Jerome Rôques, Ferid Haddad, Massoud Fattahi

Chemistry and Biochemistry Faculty Research

Technetium carbonates complexes produced by chemical, electrochemical and radiolytic methods have been studied by UV-Visible, X-ray Absorption Fine Structure (XAFS) and Density Functional Theory methods. The (NH4)2TcCl6 salt was dissolved in 2 M KHCO3. The resulting purple solution was analyzed by XAFS and UV-Visible spectroscopy. The UV-Visible spectra exhibits a band centered at 515 nm. The XAFS results were consistent with the presence of polymeric species containing the [Tc2(μ−O)2]4+ core coordinated to carbonate ligand. Concerning the electrochemical methods, the pertechnetate anion was electrochemically reduced in concentrated carbonate solution [(CO32−)=5 M and (HCO3−)=0.5 M]. For the radiolytic reduction, the speciation of …

Dft-Assisted Design And Evaluation Of Bifunctional Amine/Pyridine-Oxazoline Metal Catalysts For Additions Of Ketones To Unactivated Alkenes And Alkynes, Eric Greve, Jacob D. Porter, Chris Dockendorff

Chemistry Faculty Research and Publications

Bifunctional catalyst systems for the direct addition of ­ketones to unactivated alkenes/alkynes were designed and modeled by density functional theory (DFT). The designed catalysts possess bidentate ligands suitable for binding of pi-acidic group 10 metals capable of activating alkenes/alkynes, and a tethered organocatalyst amine to ­activate the ketone via formation of a nucleophilic enamine intermediate. The structures of the designed catalysts before and after C–C bond formation were optimized using DFT, and reaction steps involving group 10 metals were predicted to be significantly exergonic. A novel oxazoline precatalyst with a tethered amine separated by a meta-substituted benzene spacer was synthesized …

Adapting Cell-Free Protein Synthesis As A Platform Technology For Education, Grace W. Chu, Max Z. Levine, Nicole E. Gregorio, Javin P. Oza

STAR Program Research Presentations

Cell-free protein synthesis (CFPS) has emerged as an enabling biotechnology for research and biomanufacturing as it allows for the production of protein without the need for a living cell. Applications of CFPS include the construction of libraries for functional genomics and structural biology, the production of personalized medicine, and the expression of virus-like particles. The absence of a cell wall provides an open platform for direct manipulation of the reaction conditions and biological machinery. This project focuses on adapting the CFPS biotechnology to the classroom, making a hands-on bioengineering approach to learning protein synthesis accessible to students grades K-16 through …

Nanoparticles And Their Use In Cancer Imaging, Prevention And Treatment, George Gray

Chemistry & Biochemistry Student Projects

No abstract provided.

Tomatine And Furocoumarins: Toxins In Commonly Consumed Plants, Julia Noonan

Chemistry & Biochemistry Student Projects

No abstract provided.

Synthesis Of A Platinum Triamine Complex And Its Interactions With Guanosine 5’- Monophosphate And N-Acetylmethionine, Manal El Masri

Masters Theses & Specialist Projects

Cisplatin (cis-diamminedichloroplatinum(II)) and its analogs are known to form 1,2-intrastrand cross-links with guanine bases that lead to DNA distortion and are responsible for cytotoxicity. Reaction with proteins, especially at methionine residues, could also be responsible for cytotoxicity (Sandlin, R. D. et al. 2010). A new tridentate platinum(II) complex with a piperazine ring was successfully designed and synthesized. In this complex, the platinum is coordinating to all three nitrogens of (1,2- dimethylaminoethylpiperazine), which makes it a Platinum triamine compound. A series of chemical reactions of this compound with guanosine 5’-monophosphate (5’-GMP) and N-acetylmethionine (N-AcMet) were conducted under different conditions. Reactions with …

Synthesis And Characterization Of Graphene-Family Mesoporous Nanomaterials For Themal Energy Harvesting And Sensing Applications, Romney Meek

Masters Theses & Specialist Projects

Graphene-family nanomaterials (GFNs) have attracted a great deal of attention both in academia and in industry for a range of applications relevant for homeland security. In this thesis, an array of graphene-based hybrid materials and aerogels are synthesized for use as novel thermo-electrochemical energy harvesters and for ascorbic acid biosensing devices. The graphene-family nanomaterials include graphene oxide-GO, thermally reduced GO-rGOth, nitrogenated functionalized graphene-NFG, graphene aerogel-GA, nitrogen-doped graphene aerogel-NGA, multi-walled carbon nanotube aerogel-MWCNT, single-walled carbon nanotube aerogel-SWCNT, graphene and nanotube combined ‘hybrid’ aerogels-Gr:(SW/MW)CNT of various ratios, along with multilayered nanostructured architectures such as gold (AuNP) and silver nanoparticles (AgNP) decorated NFG …

Data On Ion Composition And X-Ray Diffraction Patterns Of Biosolids From Wastewater Treatment Plants In Lufkin And Nacogdoches, Texas, Usa, Kefa Karimu Onchoke, Christopher M. Franclemont, Paul W. Weatherford

Faculty Publications

The data presented in this article is related to the research article entitled, “Structural Characterization and Evaluation of Municipal Wastewater Sludge (Biosolids) from two Rural Wastewater Treatment Plants in East Texas, USA”, Onchoke, KK, Franclemont, C.M., Spectrochim. Acta A, In press[1]. The XRD profiles and composition of biosolids from wastewater treatment plant is presented. This study describes the composition of XRD crystalline phase patterns of the wastewater sludge. After the removal of the Ka2 peaks the d-spacing and hkl values were determined. In addition, the ion chromatographic profile of the seven anions (NO₃^-, NO_{2 …}

Developing A New Sensing Technology For Double-Stranded Dna Detection Utilizing Engineered Zinc Finger Proteins And Nanomaterials, Dat Thinh Ha

Masters Theses & Specialist Projects

A specific double-stranded DNA sensing system is of great interest for diagnostic and other biomedical applications. Zinc finger domains, which recognize double-stranded DNA, can be engineered to form custom DNA-binding proteins for recognition of specific DNA sequences. As a proof of concept, a sequence-enabled reassembly of TEM-1 β- lactamase system (SEER-LAC) was previously demonstrated to develop zinc finger protein (ZFP) arrays for the detection of a double-stranded bacterial DNA sequence. Here, we implemented the SEER-LAC system to demonstrate the direct detection of pathogenspecific DNA sequences present in E. coli O157:H7 on the lab-on-a chip. ZFPs customdesigned to detect shiga toxin …

Responses Of Daphnia Magna To Chronic Exposure Of Cadmium And Nickel Mixtures, Edgar Pérez, Tham C. Hoang

School of Environmental Sustainability: Faculty Publications and Other Works

The present study assessed the chronic toxicity of cadmium (Cd) and nickel (Ni) mixtures to Daphnia magna. Using a titration design, Ni concentrations of 20, 40, 80, 100, 120, 140, and 160 μg/L were tested alone and simultaneously titrated in increments against a constant concentration of 1.5 μg/L Cd. The results demonstrated that Cd at 1.5 μg/L was highly toxic to D. magna, and Ni alone concentrations ≥80 μg/L were toxic to D. magna survival, reproduction, and growth. No Ni alone concentration was found to induce a toxic effect on undeveloped embryos and the time to first brood. …

The Aromatization Of Propene Via Nano-Size Hzsm-5, Wayne Seames, Swapnil Fegade, Inna Sakodynskaya, Darrin Muggli, Brian Tande, Alena Kubatova, Evguenii Kozliak

Chemistry Faculty Publications

Zeolite (ZSM) catalysts are known to convert small-size alkenes, e.g., propene, into aromatic hydrocarbons, specifically benzene, toluene and xylenes (BTX), with both high efficiency and specificity. The efficiency of conventional and hierarchical nano-size ZSM-5 for propene aromatization was compared in this study using a Design of Experiments (DOE) approach combined with detailed product analysis. Contrary to our expectations, the former showed a significantly greater BTX yield than the latter. Analysis of the obtained data by DOE and additional experiments with soybean oil cracking using both catalyst types indicated that a reason for the observed reduced activity of nano-scale zeolites may …

Chemistry Matters Fall 2018, Otterbein University Chemistry Department

Chemistry Matters Department Newsletter

In this issue:

Fall 2017 Sabbatical in Cambridge, UK/New Study Abroad Course in Chemistry/Students and Faculty Present at the 255th ACS National Meeting in New Orleans, March 2018/Exploring Biodiesel Chemistry in Multiple Lab Courses

Synthesis And Evaluation Of Protein-Phenylboronic Acid Conjugates As Lectin Mimetics, Joshua Whited, Czharena Kay Rama, Xue-Long Sun

Chemistry Faculty Publications

Glycan-binding molecules, such as lectins, are very important tools for characterizing, imaging, or targeting glycans and are often involved in either physiological or pathological processes. However, their availability is far less compared to the diversity of native glycans. Therefore, development of lectin mimetics with desired specificity and affinity is in high demand. Boronic acid reacts with 1,2- and 1,3-diols of saccharides in aqueous media through reversible boronate ester formation and are regarded as synthetic lectin mimetics. In this study, bovine serum albumin (BSA)-phenylboronic acid (PBA) conjugates were synthesized in a density-controlled manner by targeting both aspartic and glutamic acids to …

The Rotational Spectrum And Potential Energy Surface Of The Ar-Sio Complex, Michael C. Mccarthy, Steve Alexandre Ndengue, Richard Dawes

Chemistry Faculty Research & Creative Works

The rotational spectra of five isotopic species of the Ar-SiO complex have been observed at high-spectral resolution between 8 and 18 GHz using chirped Fourier transform microwave spectroscopy and a discharge nozzle source; follow-up cavity measurements have extended these measurements to as high as 35 GHz. The spectrum of the normal species is dominated by an intense progression of a-type rotational transitions arising from increasing quanta in the Si-O stretch, in which lines up to v = 12 (~14 500 cm^-1) were identified. A structural determination by isotopic substitution and a hyperfine analysis of the Ar-Si¹⁷O …

Regulation Of Kv11.1 Potassium Channel C-Terminal Isoform Expression By The Rna-Binding Proteins Hur And Hud, Qiuming Gong, Matthew R. Stump, Zhengfeng Zhou

Faculty Publications - Department of Biological & Molecular Science

The potassium voltage-gated channel subfamily H member 2 (KCNH2) gene encodes the Kv11.1 potassium channel, which conducts the rapidly activating delayed rectifier current in the heart. KCNH2 pre-mRNA undergoes alternative polyadenylation and forms a functional, full-length Kv11.1a isoform if exon 15 is polyadenylated or a nonfunctional, C-terminally truncated Kv11.1a-USO isoform if intron 9 is polyadenylated. The molecular mechanisms that regulate Kv11.1 isoform expression are poorly understood. In this study, using HEK293 cells and reporter gene expression, pulldown assays, and RNase protection assays, we identified the RNA-binding proteins Hu antigen R (HuR) and Hu antigen D (HuD) as regulators of Kv11.1 …

Polymer Coated Gold-Ferric Oxide Superparamagnetic Nanoparticles For Theranostic Applications, Muhammad Raisul Abedin, Siddesh Umapathi, Harika Mahendrakar, Tunyaboon Laemthong, Holly Coleman, Denise Muchangi, Santimukul Santra, Manashi Nath, Sutapa Barua

Chemistry Faculty Research & Creative Works

Background: Engineered inorganic nanoparticles (NPs) are essential components in the development of nanotechnologies. For applications in nanomedicine, particles need to be functionalized to ensure a good dispersibility in biological fluids. In many cases however, functionalization is not sufficient: the particles become either coated by a corona of serum proteins or precipitate out of the solvent. We show that by changing the coating of magnetic iron oxide NPs using poly-l-lysine (PLL) polymer the colloidal stability of the dispersion is improved in aqueous solutions including water, phosphate buffered saline (PBS), PBS with 10% fetal bovine serum (FBS) and cell culture medium, and …

Thermochemistry: Heat Of Neutralization And Hess’S Law [Chemistry], Kevin Mark, Phil Mercier, Janet Gonzalez, Burl Yearwood

Open Educational Resources

The General Chemistry 1 (SCC 201) course has been designated for the core competency of Inquiry and Problem Solving along with the Written Communication Ability. These abilities are best observed in the laboratory section of the course where SCC 201 students are asked to submit weekly written lab reports that range in chemistry topics from chemical structures to the chemical analysis of polluted environments. SCC 201 will be implementing a new experiment in the laboratory portion of the course entitled, “Thermochemistry: Heat of Neutralization and Hess’s Law.” The design of the experiment incorporates many elements of LaGCC’s Core Competencies and …

Air Pollution [Liberal Arts: Math And Science/Natural Science], Ian Alberts

Open Educational Resources

This assignment was designed for students in the pathways introductory chemistry class and the first year seminar and aligns with the Inquiry and Problem Solving core competency. In this context, there is a focus on “framing the issues” (identifies and/or addresses questions and problems), “evidence gathering” (assembles, reviews and synthesizes evidence from several diverse sources), “evidence” (analyze the data to address the questions posed) and “conclusions” (critical thinking, reflect on the outcomes, draw conclusions and generate new knowledge). There is also a Global Learning component based on comparing data collected locally with corresponding data from other locations or countries. The …

Folding Of Gα Subunits: Implications For Disease States, Matthew Najor, Brian D. Leverson, Jesse L. Goossens, Saad Kothawala, Kenneth W. Olsen, Duarte Mota De Freitas

Chemistry: Faculty Publications and Other Works

G-proteins play a central role in signal transduction by fluctuating between “on” and “off” phases that are determined by a conformational change. cAMP is a secondary messenger whose formation is inhibited or stimulated by activated Giα1 or Gsα subunit. We used tryptophan fluorescence, UV/vis spectrophotometry, and circular dichroism to probe distinct structural features within active and inactive conformations from wild-type and tryptophan mutants of Giα1 and Gsα. For all proteins studied, we found that the active conformations were more stable than the inactive conformations, and upon refolding from higher temperatures, activated wild-type subunits recovered significantly more native structure. We also …

Superresolution Mapping Of Energy Landscape For Single Charge Carriers In Plastic Semiconductors, Yifei Jiang, Jason Mcneill

Publications

The performance of conjugated polymer devices is largely dictated by charge transport processes. However, it is difficult to obtain a clear relationship between conjugated polymer structures and charge transport properties, due to the complexity of the structure and the dispersive nature of charge transport in conjugated polymers. Here, we develop a method to map the energy landscape for charge transport in conjugated polymers based on simultaneous, correlated charge carrier tracking and single-particle fluorescence spectroscopy. In nanoparticles of the conjugated polymer poly[9,9-dioctylfluorenyl-2,7-diyl)-co-1,4-benzo-{2,1′-3}-thiadiazole)], two dominant chain conformations were observed, a blue-emitting phase (λmax = 550 nm) and a …

Vitamin D: Controversy Cancer And Beyond, Cristian J. Rosales, Debasish Bandyopadhyay

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Vitamins are an essential part to wellbeing. This was not something always known however, as the Germ theory was the accepted thesis of the 18th century. It was found that certain accessory factors helped mitigate and even cure these diseases such as beriberi, scurvy, and rickets. Accessory factors, later coined vitamins by Casimir Funk, are an essential constituent of the human diet. Vitamin D is technically not a vitamin but functions as a steroid hormone whose most well-known purpose is calcification of the human skeleton. This helps prevent osteomalacia in adults and rickets, a serious problem in children due to …

Advanced Cotton Fibers Exhibit Efficient Photocatalytic Self-Cleaning And Antimicrobial Activity, Jared Jaksik, Phong Tran, Veronica Galvez, Isaac Martinez, Darian Ortiz, Andy Ly, Monica Mcentee, Erin M. Durke, Sayeeda Tj Aishee, Margaret Cua, Ahmed Touhami, H. Justin Moore, M. Jasim Uddin

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Functional cotton fibers have a wide range of applications in domestic, commercial, and military settings, and so enhancing the properties of these materials can yield substantial benefits. Herein, we report the creation of functional fibers that are self-cleaning, anti-microbial, and protective against UV radiation. A uniform, and high surface area films of TiO2 were deposited on cotton fibers and gold/silver nanoparticles were directly incorporated on the nanostructured TiO2 surface. The synthetic method is simple and the produced TiO2 film is homogenous and the nanoparticles were shown to be effectively distributed on the surface using a simple photocatalytic reduction method. …

Development Of A Fluorescence Imaging Photometer-Based Method For Characterization Of Phytoplankton Communities, Cameron Maxwell Rekully

Theses and Dissertations

The development of methods for real-time characterization of phytoplankton community structure has important implications for environmental monitoring and the prediction of harmful algal blooms. Our research group has developed an instrument, the Fluorescence Imaging Photometer (FIP), which is capable of rapid classification of phytoplankton via imaging single-cell chlorophyll a fluorescence under different excitation conditions. Discrimination of cells from different taxonomic groups is achieved using optical bandpass filters that have been chosen to selectively excite pigments which occur in characteristic ratios that vary from one group to the next. The relative fluorescence intensity emitted by cells under these different excitation conditions …

Hierarchical Corannulene-Based Materials, Allison M. Rice

Theses and Dissertations

Merging the intrinsic properties of fullerene (buckyball) and corannulene (buckybowl) derivatives with the inherent properties of crystalline metal- and covalent- organic frameworks (MOFs and COFs), including their modularity, porosity, versatility, high surface area, and structural tunability, opens a pathway to unlock a novel class of fulleretic materials. Despite the great interest in MOFs and COFs, as well as fullerene derivatives, this dissertation is focused on crystalline fullerene- and corannulene- containing frameworks, highlighting their potential contributions in the fields of optoelectronic devices, electrodes, and photosensitizers. We have revealed a dual role of fullerene- and corannulene-containing building blocks showing their versatility to …

Electro- And Photocatalytic Carbon Dioxide Reduction With Mononuclear And Dinuclear Rhenium Polypyridyl Complexes, Eva Amatya

Honors Theses

The main challenge of reducing carbon dioxide (CO2) to value-added products lies in designing more efficient catalysts that are long-lived, selective, and operate near the thermodynamic potential for the reaction. In this work, mononuclear and dinuclear Re complexes containing diamine ligands linked to a pendant anthracene moiety have been synthesized and studied for both electrocatalytic and photocatalytic CO2 reduction. Electrocatalytically, the performances of both catalysts were studied in N,N-dimethylformamide (DMF) and acetonitrile (MeCN) solutions to determine their turnover frequencies (TOFs) for CO2 reduction. Catalyst performance was compared to previously reported rhenium systems, and both systems studied here were shown to …

Development Of Bioactive Peptidomimetics, Fengyu She

USF Tampa Graduate Theses and Dissertations

Peptidomimetics are synthetic foldamers that expected more resistant to proteolytic degradation and enormous chemodiversity when compared with peptides. To date, the functional peptidomimetics such as β-peptides, peptoids, oligoureas, etc have been developed in many science fields. In order to explore the unnatural foldameric architectures, it’s necessary to discover the novel frameworks and molecular scaffolds. γ-AApeptides were reported to be a new class of peptidomimetics that showed its potential applications in drug discovery and chemical biology. However, a wide function and property of γ-AApeptides need to be further explored. To expand the potential application of γ-AApeptides in biochemistry, I have been …

Π-Π Stacking Vs. C–H/Π Interaction: Excimer Formation And Charge Resonance Stabilization In Van Der Waals Clusters Of 9,9′-Dimethylfluorene, Damian Kokkin, Maxim Vadimovich Ivanov, John Loman, Sheng Cai, Brandon Uhler, Neil Reilly, Rajendra Rathore, Scott A. Reid

Chemistry Faculty Research and Publications

Studies of exciton and hole stabilization in multichromophoric systems underpin our understanding of electron transfer and transport in materials and biomolecules. The simplest model systems are dimeric, and recently we compared the gas-phase spectroscopy and dynamics of van der Waals dimers of fluorene, 9-methylfluorene (MF), and 9,9′-dimethylfluorene (F1) to assess how sterically controlled facial encumbrance modulates the dynamics of excimer formation and charge resonance stabilization (CRS). Dimers of fluorene and MF show only excimer emission upon electronic excitation, and significant CRS as evidenced in a reduced ionization potential for the dimer relative the monomer. By contrast, the dimer of F1 …

Quinolines From The Cyclocondensation Of Isatoic Anhydride With Ethyl Acetoacetate: Preparation Of Ethyl 4-Hydroxy-2-Methylquinoline-3-Carboxylate And Derivatives, Nicholas Jentsch, Jared D. Hume, Emily B. Crull, Samer M. Beauti, Amy H. Pham, Julie A. Pigza, Jacques Kessl, Matthew G. Donahue

Faculty Publications

A convenient two-step synthesis of ethyl 4-hydroxy-2-methylquinoline-3-carboxylate derivatives has been developed starting from commercially available 2-aminobenzoic acids. In step 1, the anthranilic acids are smoothly converted to isatoic anhydrides using solid triphosgene in THF. In step 2, the anhydride electrophiles are reacted with the sodium enolate of ethyl acetoacetate, generated from sodium hydroxide, in warm N,N-dimethylacetamide resulting in the formation of substituted quinolines. A degradation–build-up strategy of the ethyl ester at the 3-position allowed for the construction of the α-hydroxyacetic acid residue required for the synthesis of key arylquinolines involved in an HIV integrase project.

Ultrafine Mineral Associations In Superhigh-Organic-Sulfur Kentucky Coals, James C. Hower, Debora Berti, Michael F. Hochella Jr.

Center for Applied Energy Research Faculty and Staff Publications

Two high-organic-sulfur Kentucky coals, the eastern Kentucky River Gem coal and the western Kentucky Davis coal, are examined by scanning electron microscopy (SEM) and transmission electron microscopy (TEM), both including elemental analysis by energy-dispersive spectroscopy (EDS). From the SEM–EDS analysis, it is observed that the western Kentucky coal had areas with Pb and Cd in addition to the expected Fe and S and the eastern Kentucky coal had individual Fe–S-rich areas with La and Ni and with Si, Al, Cr, Ni, and Ti. TEM and selected area electron diffraction (SAED) analyses demonstrate that anglesite with a rim of Pb-bearing amorphous …

Novel Porous Polymer Compositions For The Synthesis Of Monolithic Bimodal Microporous/Macroporous Carbon Compositions Useful For Selective Co₂ Sequestration, Nicholas Leventis, Chariklia Sotiriou-Leventis, Malik Adnan Saeed

Chemistry Faculty Research & Creative Works

The present invention discloses novel porous polymeric compositions comprising random copolymers of amides, imides, ureas, and carbamic-anhydrides, useful for the synthesis of monolithic bimodal microporous/macroporous carbon aerogels. It also discloses methods for producing said microporous/macroporous carbon aerogels by the reaction of a polyisocyanate compound and a polycarboxylic acid compound, followed by pyrolytic carbonization, and by reactive etching with CO₂ at elevated temperatures. Also disclosed are methods for using the microporous/macroporous carbon aerogels in the selective capture and sequestration of carbon dioxide.