Chemistry Commons^™

Analytic Ab Initio-Based Molecular Interaction Potential For The Bro·H2O Complex, Ross D. Hoehn, Sachin D. Yeole, Sabre Kais, Joseph S. Francisco

Department of Chemistry: Faculty Publications

Radical halogen oxide species play important roles within atmospheric processes, specifically those responsible for the removal of O3. To facilitate future investigations on this family of compounds, RCCSD(T)/aug-cc-pVQZ-level electronic structure calculations were employed to generate individual-molecule optimized geometries, as well as to determine the global minimum energy structure for the BrO·H₂O complex. This information facilitated the generation of several one-dimensional potential energy surface (PES) scans for the BrO·H₂O complex. Scans were performed for both the ground state and the first excited state; this inclusion is due to a low-lying first electronic excited-state energy. These rigid-geometry PES …

Ring Closures And The Hammond Postulate, Charles A. Kingsbury

Department of Chemistry: Faculty Publications

This work reports an investigation of ring closure processes in relation to the Hammond postulate. Calculations favor the importance of thermodynamics, not kinetics, as the basis for the Hammond postulate. A kinetically rapid, but thermodynamically unfavorable reaction is shown to resemble product. The ease of ring closure to three-membered rings, compared to four-membered rings, is thought to be associated with conformational mobility and perhaps vibrations coupled to the reaction coordinate motion in the case of four-membered rings.

Live, Attenuated Vaccines And Methods Of Making And Using, Jiantao Guo, Qingsheng Li, Wei Niu, Yue Li, Nanxi Wang

Department of Chemistry: Faculty Publications

A live, attenuated HIV vaccine is provided, and methods of making a atenuated HIV vaccine are provided.

Content Analysis Of The Discussion Of The Atom In General Chemistry Textbooks Using Evaluation Criteria Based On The Nature Of Science And Philosophy Of Chemistry, Armando M. Guidote Jr, Angelo Julian E. Perez, Gilbert U. Yu, Michael Ner E. Mariano

Chemistry Faculty Publications

Evaluation criteria are adapted from previous textbook analyses on the nature of science (NOS) in general chemistry textbooks. These criteria are used to determine how certain NOS dimensions are mentioned and elaborated in those textbooks. Such dimensions emphasize that chemistry is (1) tentative, (2) empirical, (3) model-based, (4) inferential, (5) has technological products, (6) employs instrumentation, and (7) possesses social and societal dimensions. Three book chapters were read and evaluated: the first (on chemistry in general); the second (on atomic structure); and the sixth or seventh chapters (on the electronic structure of atoms). The relevant content in each textbook were …

Fine Particulate Air Pollution In Saudi Arabia : Implications For Cardiopulmonary Morbidity, Shedrack Rujooga Nayebare

Legacy Theses & Dissertations (2009 - 2024)

Fine particulate (PM2.5) air pollution is a major issue in Saudi Arabia. Though the health effects of exposure to PM2.5 have been extensively studied in developed countries of Europe and North America, this research is yet to be done in developing countries of Africa, some parts of Asia and the Middle East including Saudi Arabia. This is the first comprehensive assessment of PM2.5 air pollution in Saudi Arabia describing the major emission sources as well as assessing the association of daily exposures to PM2.5 and its chemical constituents with cardiopulmonary morbidity.

Processes And Reagents For Making Daryliodonium Salts, Stephen Dimagno

Department of Chemistry: Faculty Publications

This invention relates to processes and reagents for making diaryliodonium salts, which are useful for the preparation of fluorinated and radiofluorinated aromatic compounds.

Vladimir Prelog And His Contribution To Stereochemistry, Kevin Jiang

Natural Sciences Student Research Presentations

This poster for the Natural Sciences Poster Session at Parkland College features chemist Vladimir Prelog, best known for his contributions to the Canin-Ingold-Prelog Rules.

Talking Through The Problems: A Study Of Discourse In Peer-Led Small Groups, Michelle D. Repice, R. Keith Sawyer, Mark C. Hogrebe, Patrick L. Brown, Sarah Luesse, Daniel J. Gealy, Regina F. Frey

SIUE Faculty Research, Scholarship, and Creative Activity

Increasingly, studies are investigating the factors that influence student discourse in science courses, and specifically the mechanisms and discourse processes within small groups, to better understand the learning that takes place as students work together. This paper contributes to a growing body of research by analyzing how students engage in conversation and work together to solve problems in a peer-led small-group setting. This qualitative study evaluates video of Peer-Led Team Learning (PLTL) sessions in general chemistry, with attention to both the activity structures and the function of discourse as students undertook different types of problems across one semester. Our findings …

Supplemental Materials For Building Data And Information Literacy In The Undergraduate Chemistry Curriculum, Yasmeen Shorish, Barbara A. Reisner

Department of Chemistry and Biochemistry - Faculty Scholarship

Course syllabus from Chem 481, Fall 2015, to supplement the chapter "Building Data and Information Literacy in the Undergraduate Chemistry Curriculum" in the monograph Integrating Library and Information Literacy Into Chemistry Curricula - ACS Symposium Series, ACS Publications.

Mutagenesis-Based Active-Site Characterization Of The Diabetes Drug Target Mitoneet, Lisa Mickley

Williams Honors College, Honors Research Projects

This project investigates the cluster stability of an outer mitochondrial membrane protein mitoNEET under mutational stress and drug binding analysis. MitoNEET is a part of a class of proteins that coordinate an Fe-S molecule into its tertiary structure. This protein is believed to facilitate the oxidative capacity of the electron transport chain by reversible loss of its coordinated Fe-S molecule. The research of this paper uses site directed protein mutagenesis to selectively alter the three cysteine, one histidine cluster coordination into more common coordination patterns such as two cysteine, two histidine or four cysteine. The ultimate goal is to optimize …

Mass Spectrometric Analysis Of Biologically Relevant Compounds Hyphenated By Gas And High Performance Liquid Chromatography, Zach Laswell

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.

Analyzing Urine In Mice With Tyrosinemia Type 1 Using Nmr Spectroscopy, Emily Olsen

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.

Signature Of Coexistence Of Superconductivity And Ferromagnetism In Two-Dimensional Nbse2 Triggered By Surface Molecular Adsorption, Xiaojiao Zhu, Yuqiao Guo, Hao Cheng, Jun Dai, Xingda An, Jiyin Zhao, Kangzhen Tian, Shiqiang Wei, Xiao Cheng Zeng, Changzheng Wu, Yi Xie

Department of Chemistry: Faculty Publications

Ferromagnetism is usually deemed incompatible with superconductivity. Consequently, the coexistence of superconductivity and ferromagnetism is usually observed only in elegantly designed multi-ingredient structures in which the two competing electronic states originate from separate structural components. Here we report the use of surface molecular adsorption to induce ferromagnetism in two-dimensional superconducting NbSe₂, representing the freestanding case of the coexistence of superconductivity and ferromagnetism in one two-dimensional nanomaterial. Surface-structural modulation of the ultrathin superconducting NbSe₂ by polar reductive hydrazine molecules triggers a slight elongation of the covalent Nb–Se bond, which weakens the covalent interaction and enhances the ionicity of …

Engineering Escherichia Coli For High‑Yield Geraniol Production With Biotransformation Of Geranyl Acetate To Geraniol Under Fed‑Batch Culture, Wei Liu, Xin Xu, Rubing Zhang, Tao Cheng, Yujin Cao, Xiaoxiao Li, Jiantao Guo, Huizhou Liu, Mo Xian

Department of Chemistry: Faculty Publications

Background: Geraniol is an acyclic monoterpene alcohol, which exhibits good prospect as a gasoline alternative. Geraniol is naturally encountered in plants at low concentrations and an attractive target for microbial engineering. Geraniol has been heterologously produced in Escherichia coli, but the low titer hinders its industrial applications. Moreover, bioconversion of geraniol by E. coli remains largely unknown.

Results: Recombinant overexpression of Ocimum basilicum geraniol synthase, Abies grandis geranyl diphosphate synthase, and a heterotic mevalonate pathway in E. coli BL21 (DE3) enabled the production of up to 68.6 ± 3 mg/L geraniol in shake flasks. Initial fed-batch fermentation only increased geraniol …

Highly Porous Zirconium Metal−Organic Frameworks With Β‑Uh3‑Like Topology Based On Elongated Tetrahedral Linkers, Xin Zhang, Xu Zhang, Jacob A. Johnson, Yu-Sheng Chen, Jian Zhang

Department of Chemistry: Faculty Publications

Two non-interpenetrated zirconium metal−organic frameworks (Zr-MOFs), NPF-200 and NPF-201, were synthesized via the assembly of elongated tetrahedral linkers with Zr₆ and Zr₈ clusters. They represent the first examples of MOFs to have the β-UH₃-like, 4,12,12T1 topology. Upon activation, NPF-200 exhibits the largest BET surface area (5463 m²g⁻¹) and void volume (81.6%) among all MOFs formed from tetrahedral ligands. Composed of negative-charged boron-centered tetrahedral linkers, NPF-201 is an anionic Zr-MOF which selectively uptakes photoactive [Ru(bpy)₃]²⁺for heterogeneous photo-oxidation of thioanisole.

Additional supporting information files are attached below.

Close Encounters With Creative Chemical Thinking: An Outreach Presentation Using Movie Clips About The Elemental Composition Of Aliens And Extraterrestrial Minerals, Mark A. Griep, Marjorie L. Mikasen

Department of Chemistry: Faculty Publications

To introduce more chemistry into a middle and high school bioengineering camp experience, we developed an educational and entertaining presentation that examines the chemistry in movies about aliens and minerals from outer space. Our goal was to help the campers to think creatively about the bioengineering projects they are doing and about its chemistry. After watching each movie clip, we explain whether the chemistry in the clip is real or fake, and then describe the real chemistry that inspired it. The chemical touchstone for the presentation is the periodic table. First, the campers learn that aliens in five movies are …

Flexble Robotic Actuators, Aaron D. Mazzeo, Stephen A. Morin, Robert F. Shepherd, George M. Whitesides, William B. Kalb

Department of Chemistry: Faculty Publications

Some embodiments of the disclosed subject matter includes a laminated robotic actuator. The laminated robotic actuator includes a strain-limiting layer comprising a flexible, non extensible material in the form of a sheet or thin film, a flexible inflatable layer in the form of a thin film or sheet in facing relationship with the Strain-limiting layer, wherein the inflatable layer is selectively adhered to the strain-limiting layer, and wherein a portion of an un-adhered region between the strain-limiting layer and the inflatable layer defines a pressurizable channel, and at least one fluid inlet in fluid communication with the pressurizable channel. The …

Forensic Chemical Analysis Of Synthetic Cathinones Using Portable Mass Spectrometric Instrumentation, Caitlin N. Cain

Undergraduate Research Posters

Forensic laboratories face issues with large backlogs on evidence needing to be analyzed is due to two reasons: budgeting issues and the emergence of designer drugs. Currently, forensic laboratory directors cite that there are a shortage of scientists to deal with the yearly increase in caseloads. Additionally, designer drugs like synthetic cathinones, commonly known as “bath salts,” have increased the backlog due to the changing chemical compositions and misidentification as other compounds. Therefore, the use of a portable mass spectrometer for on-site forensic chemical analysis of synthetic cathinones would reduce the backlog of suspected controlled substances in forensic chemistry laboratories. …

The Development Of Colorimetric Assays To Determine The Identity And Frequency Of Specific Nucleobases In Dna Oligomers, Elizabeth Marie Thomas

Theses and Dissertations--Chemistry

Colorimetric methods combined with color-changing chemical probes are widely used as simple yet effective tools for identifying and quantifying a wide variety of molecules in solution. For nucleic acids (DNA and RNA), perhaps the most commonly used colorimetric probe is potassium permanganate, which can be used to identify single-stranded pyrimidines (thymine and cytosine) in polymers. Unfortunately, permanganate is not an effective probe for identifying purines (adenine and guanine), especially in the presence of the more reactive pyrimidines. Therefore, robust methods for discriminating between the purines remain elusive, thereby creating a barrier toward developing more complex colorimetric applications. In this dissertation, …

Versatile Synthesis Of Transition Metal Phosphides: Emerging Front-Runners For Affordable Catalysis, April C. Mattei

Theses and Dissertations

Transition metal phosphide materials have found themselves at the forefront of research revolving around energy applications. Due to the vast range of properties possessed by marginally different phase compositions, binary and ternary metal phosphides are utilized as catalysts, semi-conductors and magnetocaloric materials along with many others. These attractive properties, which are highly phase dependent, call for a versatile and cost effective synthesis route for various phosphide materials without sacrificing properties important at the nanoscale such as particle size and morphology.

The primary focus outlined in the work of this dissertation pertains to a versatile wet chemical synthesis capable of producing …

Toward The Probing Of Dhqs Activity By Protein Engineering Through The Introduction Of Unnatural Amino Acids And The Selection Of Trna/Trna Synthetase Pairs, Shaina E. Ives

Department of Chemistry: Dissertations, Theses, and Student Research

Protein engineering is a valuable tool that allows scientist to explore how an enzyme works by mutation of key residues. This method has been used to improve function or stability of enzymes, thus allowing their use in both the lab and in industry to be expanded. Genetic incorporation of unnatural amino acids (unAA) can be used with protein engineering to exceed the current limitations, due to the limited number of functional groups of the 20 common amino acids.

The majority of this thesis will discuss the progress on incorporating the various unAA into the active site of the enzyme, Dehydroquinate …

Photothermally Induced Optical Property Changes Of Poly (N-Isopropylacrylamide) Microgel-Based Etalons, Molla R. Islam, Jessica Irvine, Michael J. Serpe

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Poly(N-isopropylacrylamide) microgel-based optical devices were designed such that they can be stimulated to change their optical properties in response to light produced by a light-emitting diode (LED). The devices were fabricated by sandwiching the synthesized microgels between two Cr/Au layers all supported on a glass coverslip with gold nanoparticles (AuNPs) deposited. Here, we found that these devices can be stimulated to change their optical properties when exposed to green LED light, which excites the AuNPs and increases the local temperature, causing the thermoresponsive microgels to decrease in diameter, resulting in a change in the devices’ optical properties. We also found …

Bis(Spirolactam) 1,3-Double-Armed Calix[4]Arene Compounds And Their Application As Extractants For The Determination Of Heavy Metal Ions, Fintan Kelleher, Mary Deasy, James Ward, Li Li, Fiona Regan

Articles

A number of double-armed calix[4]arene compounds, with proline-derived spirolactam ligating groups on the lower rim, have been synthesised and investigated as extractants of toxic heavy metal ions from aqueous solution. Pedersen’s extraction technique was employed to determine the capability of these new 1,3-distal derived calix[4]arene spiroalactams to extract selected heavy metal ions (e.g. Pb²⁺, Cd²⁺, Zn²⁺, Cu²⁺, Ni²⁺, Co²⁺) from an aqueous phase into an organic phase. The percentage extraction was calculated using UV-vis spectroscopy. All of the compounds synthesised demonstrated good selectivity for the heavy metals selected …

Electrochemical Characterization Of Protein Adsorption Onto Yngrt-Au And Vlgxe-Au Surfaces, Hanna Trzeciakiewicz, Jose Esteves-Villanueva, Rania Soudy, Kamaljit Kaur, Sanela Martic-Milne

Pharmacy Faculty Articles and Research

The adsorption of the proteins CD13, mucin and bovine serum albumin on VLGXE-Au and YNGRT-Au interfaces was monitored by electrochemical impedance spectroscopy in the presence of [Fe(CN)6]3−/4−. The hydrophobicity of the Au surface was tailored using specific peptides, blocking agents and diluents. The combination of blocking agents (ethanolamine or n-butylamine) and diluents (hexanethiol or 2-mercaptoethanol) was used to prepare various peptide-modified Au surfaces. Protein adsorption onto the peptide-Au surfaces modified with the combination of n-butylamine and hexanethiol produced a dramatic decrease in the charge transfer resistance, Rct, for all three proteins. In contrast, polar peptide-surfaces induced a minimal change in …

Effect Of Surface Omniphobicity On Drying By Forced Convection, Madani A. Khan, Jeffrey Alston, Andrew Guenthner

STAR Program Research Presentations

Low energy surfaces can strongly repel both oil and water. Recently these surfaces have been fabricated on various substrates including fabric, aluminum, stainless steel and many other materials. In this experiment we explore the use of low energy surface deposition on aluminum alloy, stainless steel and silicon substrates, to enhance the drying rate of liquids removed from the surface by forced convection. We control surface roughness by substrate abrasion and by the growth of Al₂O₃ nanograss to enhance liquid repellence by use of a hierarchical texture. Liquid repellence of the substrates is measured by contact angles of …

Forensic Significance Of Teal Colored Cashmere And Black Acrylic Fibers, Nicole M. Martin

Forensic Science Theses

Textile fibers are a valuable type of trace evidence within forensic cases. They have the ability to connect a perpetrator to a victim and or a crime scene. Some types of fibers are more prevalent than others. The purpose of this research was to conduct a target fiber study in order to determine the significance of the selected fibers in a forensic case. Two fibers were selected from two different garments, black acrylic fiber and a teal colored cashmere fiber. Unknown fibers were collected from three local clothing stores and counted. Using light microscopy, all 20,164 fibers were eliminated as …

Synthesis And Flammability Testing Of Epoxy Functionalized Phosphorous-Based Flame Retardants, Vladimir Benin, Xuemei Cui, Alexander Morgan, Karl Seiwert

Chemistry Faculty Publications

Several potential new phosphorus-containing flame retardant molecules were evaluated for heat release reduction potential by incorporation of the molecules into a polyurethane, generated from methylene diphenyl diisocyanate and 1,3-propane diol. The heat release reduction potential of these substances was evaluated using the pyrolysis combustion flow calorimeter (PCFC). The polyurethanes were prepared in the presence of the potential flame retardants via solvent mixing and copolymerization methods to qualitatively evaluate their potential reactivity into the polyurethane prior to heat release testing. The functionality of the flame retardants was epoxide based that would potentially react with the diol during polyurethane synthesis. Flammability testing …

Thz-Pulse-Induced Selective Catalytic Co Oxidation On Ru, Jerry L. Larue, Tetsuo Katayama, Aaron Lindenberg, Alan S. Fisher, Henrik Öström, Anders Nilsson, Hirohito Ogasawara

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We demonstrate the use of intense, quasi-half-cycle THz pulses, with an associated electric field component comparable to intramolecular electric fields, to direct the reaction coordinate of a chemical reaction by stimulating the nuclear motions of the reactants. Using a strong electric field from a THz pulse generated via coherent transition radiation from an ultrashort electron bunch, we present evidence that CO oxidation on Ru(0001) is selectively induced, while not promoting the thermally induced CO desorption process. The reaction is initiated by the motion of the O atoms on the surface driven by the electric field component of the THz pulse, …

Antioxidant Mechanisms Of Glutathione Against Metal-Mediated Oxidative Dna Damage, Elias Eteshola

Graduate Theses - Chemistry and Biochemistry

Oxidative damage of DNA strands has been strongly linked with the development of diseases such as certain cancers, cystic fibrosis and Parkinson’s, as well as aging. In intercellular reactions involving hydrogen peroxide endogenous metals have been shown to increase the generation of site-specific base modifications through their formation of reactive oxygen species (ROS). The damage markers measured via HPLC are the 8-hydroxy-2’-deoxyguanosine (8-OHdG) and the dA-N1 oxide markers. The current study deals with the reduced form of the sulfur antioxidant glutathione (GSH) and elucidating its ameliorating effects against ROS formation. Comparative studies with the known radical-scavenging sulfur antioxidant dimethyl sulfoxide …

The Best Of Both Worlds: Building On The Copus And Rtop Observation Protocols To Easily And Reliably Measure Various Levels Of Reformed Instructional Practice, Travis J. Lund, Matthew Pilarz, Jonathan B. Velasco, Devasmita Chakraverty, Kaitlyn Rosploch, Molly Undersander, Marilyne Stains

Department of Chemistry: Faculty Publications

Researchers, university administrators, and faculty members are increasingly interested in measuring and describing instructional practices provided in science, technology, engineering, and mathematics (STEM) courses at the college level. Specifically, there is keen interest in comparing instructional practices between courses, monitoring changes over time, and mapping observed practices to research-based teaching. While increasingly common observation protocols (Reformed Teaching Observation Protocol [RTOP] and Classroom Observation Protocol in Undergraduate STEM [COPUS]) at the postsecondary level help achieve some of these goals, they also suffer from weaknesses that limit their applicability. In this study, we leverage the strengths of these protocols to provide an …