Physical Sciences and Mathematics Commons^™

Chem 244-043: Organic Chemistry Ii, Andrew B. Naughton

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 126-041: General Chemistry Ii, David Fisher

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 339-011: Analytical Physical Chemistry For Chemical Engineers, Elena Avzianova

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 126-141: General Chemistry Ii, David Fisher

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Peppytides, Dave Zwicky

2019 Symposium on Electronic Theses and Dissertations

Lightning talk for Symposium on Electronic Theses and Dissertations (ETD) at Purdue University on May 23, 2019.

Hypervalent Iodine(Iii) Compounds With (Pseudo)Halide And Tetrazole Ligands In The Synthesis Of Functional Polymers, Rajesh Kumar

Chemistry Theses and Dissertations

The organic compounds of iodine(III) with the general formula ArIL₂ (Ar = aryl, L = (pseudo) halides) degrade homolytically upon irradiation or heating to the corresponding monovalent iodine compound (ArI) and the radicals L^• . If the latter contains a functional group, they can be used to initiate the polymerization of vinyl monomers to afford chain end-functionalized linear polymers. When "conventional" monovinyl monomers are copolymerized with di- or multivinyl monomers (crosslinkers) in the presence of relatively high concentrations of rapidly decomposing ArIL₂ compounds, highly branched polymers are formed that contain multiple chain-end functionalities derived from the radicals …

Oxidative C–C And C–Heteroatom Reactivity Of High-Valent Nickel Complexes, Sofia Marie Smith

Arts & Sciences Graduate Student Theses and Dissertations

ABSTRACT OF THE DISSERTATIONOxidative C–C and C–Heteroatom Reactivity of High-Valent Nickel ComplexesbySofia M. SmithDoctor of Philosophy in ChemistryWashington University in St. Louis, 2019Professor Liviu M. Mirica, ChairProfessor Kevin D. Moeller, Co-ChairNickel catalysts are commonly used for cross-coupling reactions such as Negishi, Kumada and Suzuki couplings. While Ni(0), Ni(I), and Ni(II) intermediates are most relevant in these transformations, Ni(III) and Ni(IV) species have also been recently proposed to play a role in catalysis. The formation of C–C and C–heteroatom bonds plays a fundamental role in organic transformations, and today cross-coupling reactions are one of the most powerful tools for the construction …

Synthesis Of A Protein Based Photocatalytic Hydrogen Production System, Alexander M. Brown

Honors Program Theses and Projects

Anthropogenic climate change is one of the most pressing challenges facing humans today. It is scientifically established that the production of copious amounts of greenhouse gases such as carbon dioxide (CO2) is the primarycause of global warming. Many of these greenhouse gases are produced from the combustion of carbon-based fuels and researchers are investigating promising alternative fuel sources such as hydrogen gas. Hydrogen gas is a clean burning fuel that stores a significant amount of chemical potential energy. The goal of this project was to synthesize a protein based photocatalytic hydrogen production system and to characterize the effects of modifications …

Synthesis Of Novel Reiii And Rev Metallointercalator Complexes For Use As Dna Damage Probes, Eli Schwartz

Honors Program Theses and Projects

Cancer is a disease that affects millions around the globe. Treatments such as radiation and chemotherapy are often used to treat cancerous tumors, but are not 100% effective in curing the patient. Alternatively, some research groups have proposed the use of metallointercalators, metal complexes consisting of a rhodium, ruthenium, or iridium metal center with bidentate supporting ligands such as bipyridine and phenanthroline, or tridentate ligands such as terpyridine. The complexes also contain a bidentate intercalating group such as dipyridophenazine. These complexes possess the ability to directly bind to DNA through intercalation between the stacks of DNA base pairs, giving them …

Implementation Of Computational Chemistry As Part Of The Physical Chemistry Curriculum, Erica Hess

Honors Program Theses and Projects

Physical chemistry is a sub-discipline of chemistry that focuses on the study of matter at the molecular and atomic level. Since physical chemistry provides foundational knowledge necessary to explain concepts ranging from atomic to molecular structure, chemical reactions and dynamics, to spectroscopy properties of chemical and biochemical systems, it has deeper connections to all other sub-fields of chemistry. Therefore, it is imperative for undergraduate students within chemical science baccalaureate degree programs have a comprehensive understanding of physical chemistry concepts. However, many students taking physical chemistry at an undergraduate level often cannot see its inherent connections to other chemistry sub-disciplines. This …

Molecular Machines: Synthesis, Modeling, And Applications, Syd Kotar

Student Scholar Symposium Abstracts and Posters

While some of the smallest, most useful machines known to science are the biological molecules that keep living organisms alive, there is a growing advancement of the creation of artificial molecules that have the same function and are more efficient. Molecular machines were invented in 1983 when scientists in France created a machine formed of two interlinked molecular rings. In 2016, the Nobel prize in chemistry was awarded to Feringa, Stoddart, and Sauvage who finally documented molecular machines and put them into energy‐filled states in which their movements could be controlled. From this, molecular machines became known as a group …

Unravel Allostery Mechanism Through Molecular Dynamic Simulations With Machine Learning Approaches, Hongyu Zhou

Chemistry Theses and Dissertations

Allostery is referred to as protein function changes due to external perturbations, and ubiquitous in the living cells. Investigation of the allosteric mechanism is essential for developing drugs or assisting protein engineering. Recently, the population shift model has been proposed to explain the allosteric mechanism. This model emphasizes the importance of conformational distribution in the allostery. In the past several years, I have been continuously working on developing computational methods to explore and quantify protein allostery mechanism. By fully utilizing protein simulation results, several machine learning related methods have been applied to protein systems to investigate the underlying conformational changes …

Synthesis And Analysis Of 6-Acetyl-1,2,3,4-Tetrahydropyridine, A Major Contributor To ‘Mousy’ Off-Flavor In Sour And Wild Beers, Liesel Krout

Thinking Matters Symposium Archive

Unexpected tastes can negatively impact consumer experience in the beer industry. One such taste, a ‘mousy’ off-flavor, is diminishing the quality of sour and wild beers throughout the brewing community. The unpleasant flavor is a result of the combined presence of three organic compounds: 6-acetyl-1,2,3,4-tetrahydropyridine (ATHP), 2-acetyl-1-pyrroline, and 2-ethyl-3,4,5,6-tetrahydropyridine. Because of its unpredictable nature, brewers must wait for the compound to disappear before distribution, costing them valuable time and revenue. The factors responsible for formation, reasons for persistence, and degradation timelines of the compounds were unknown. A method for quantification was therefore necessary to determine those characteristics, and such quantification …

Survey Of Chemistry I, Anne Parker, Farooq Khan, Victoria Geisler, Douglas Stuart

Chemistry Grants Collections

This collection of the grant proposal, syllabus, and final report for Survey of Chemistry I at University of West Georgia was created under a Round 12 Transformation Grant.

Interfacial Ligand Dynamics And Chemistry On Highly Curved Nanoparticle Surfaces: A Plasmon-Enhanced Spectroscopic Study, Esteban Villarreal

Theses and Dissertations

The dynamic interactions between capping ligands and nanoparticle surfaces play a critical role in guiding shape-controlled nanocrystalline growth, imparting unique physical and chemical properties to the nanoparticles. It has been well established that nanoparticles within the size regime of sub 5 nm possess unique heterogeneous catalytic properties, while sub wavelength metallic nanoparticles exhibit tunable plasmonic activity, when these properties are integrated into a single nanoparticle, it presents a significant opportunity to monitor, in real time, the molecular transformations associated with interfacial interactions at the nanoparticle surface. Using plasmon-enhanced Raman scattering as an ultrasensitive spectroscopic tool combining molecular fingerprinting with time …

Implication Of Inorganic Nitrogen And Phosphorous Species As A Cause Of A Harmful Algal Bloom Event In Caesar Creek Lake, Ohio And Its Tributaries, Baxter Jeffrey Foskuhl

Browse all Theses and Dissertations

Agricultural runoff poses a threat to the Wilmington, Ohio municipal water supply and its source waters. A harmful algal bloom (HAB) was documented in June 2019 in Caesar Creek Lake, Waynesville, Ohio. This study seeks to establish baseline nutrient concentrations in Caesar Creek Lake (Warren County, Ohio) and its tributaries, and to identify potential non-point sources of excess nitrogen and phosphorous that contributed to the HAB event. In collaboration with the Wilmington Water Department, dissolved inorganic nitrogen DIN-[N] (sum of NH3-[N], NH4+-[N], NO2--[N], NO3--[N] concentrations), dissolved phosphorous DP-[P], particulate phosphorous PP-[P], total phosphorous TP-[P] (total sum of DP-[P] and PP-[P] …

In Vitro Uptake And Biodistribution Of Silver Nanoparticles In Vero 76 Cells, Miriam A. Crane

Browse all Theses and Dissertations

The number of consumer products containing nanomaterials over the last eight years has increased over two-fold. Silver is one of the most commonly used materials in consumer goods nanoparticle fabrication.1 Thus, the uptake and biodistribution of silver nanoparticles (AgNPs) within mammalian cells can provide insight into their possible toxicological effects. In this study, starch-capped AgNPs of an average diameter of 9 ± 5 nm were synthesized via a bottom-up method, and characterized by Raman spectroscopy, transmission electron microscopy (TEM), inductively couple plasma optical emission spectroscopy (ICP-OES), and absorption spectroscopy. Vero 76 cells were incubated with 0.0, 0.1, 1.0, and 3.0 …

Molecular Dynamics Simulations In First-Semester General Chemistry: Visualizing Gas Particle Motion And Making Connections To Mathematical Gas Law Relationships, Chrystal D. Bruce

2019 Faculty Bibliography

Implementation of a freely available molecular dynamics (MD) software program in a general chemistry class to assist students in learning the relationship among particle motion, macroscopic properties, and mathematical gas laws is described. In this activity, students acquire skills in data analysis while developing a deeper understanding of the origin of macroscopic physical properties of gases. The activity is easy to implement and does not require significant expertise in computational chemistry on the part of the instructor.

The Periodical Winter 2019, Southern Adventist University

the Periodical – Chemistry Department Newsletter

Volume 6, issue 1 of the Periodical includes articles about Professor Loren Barnhurst's departure from the university, an alumni spotlight, general department news, at a pictorial listing of 2018-2019 Chemistry graduates.

Reactivity Of Molybdenum And Tungsten Sulfido Complexes With First-Series Transition Metals, Khalil Mudarmah

ETD Archive

Ammonium tetrathiomolybdate (ATTM) is an important compound in bioinorganic chemistry, with medicinal applications. Metal complexes of sulfur-containing ligands have been widely used as building block in biology and inorganic chemistry. This project aims to increase the number of Mo-S and W-S complexes that may contribute to fields such as bioinorganic and medicinal chemistry, by the preparation of heterometallic complexes containing both Mo or S and a metal of the first transition series. The homobimetallic complex anion salts (Et4N)2[Mo2(S)2(μ-S)2(edt)2] (1) and (Et4N)2[W2(S)2(μ-S)2(edt)2] (2) have been prepared from ATTM and ammonium tetrathiotungstate (ATTW) in order to start our work. The overnight treatment …

Mathematical Modeling Of Type 1 Diabetes, Gianna Wu

HMC Senior Theses

Type 1 Diabetes (T1D) is an autoimmune disease where the pancreas produces little to no insulin, which is a hormone that regulates blood glucose levels. This happens because the immune system attacks (and kills) the beta cells of the pancreas, which are responsible for insulin production. Higher levels of glucose in the blood could have very negative, long term effects such as organ damage and blindness.

To date, T1D does not have a defined cause nor cure, and research for this disease is slow and difficult due to the invasive nature of T1D experimentation. Mathematical modeling provides an alternative approach …

Atomic Theory #5: Molecules And Compounds, Emmanuel J. Chang, Kevin J. Mark

Open Educational Resources

Video lectures on atomic theory incorporating a simulated student class working problems to increase accessibility and relatablility.

Open Educational Resource funded by a City University of New York OER Grant. Produced by the Department of Chemistry, York College/CUNY and the Department of Natural Sciences, LaGuardia Community College/CUNY

Studying Carbon Dioxide Solvent Properties By Microwave Spectroscopic Investigations Of Vinyl Fluoride/Carbon Dioxide Clusters And Developing New Approaches To Decode Rotational Spectra, Prashansa Kannangara

Masters Theses

Supercritical carbon dioxide (sc-C0₂) is an excellent green solvent, but its properties are not thoroughly understood. For example, fluorinated compounds have higher than expected solubility in sc-C0₂. Microwave spectroscopy is one way to learn more about sc-C0₂ because it can be used to determine detailed structures of small clusters of molecules. The purpose of this investigation was to study weak hydrogen bonding interactions in complexes of fluorinated ethylene (solute) with carbon dioxide (C0₂, solvent). Investigations on dimers with one C0₂ molecule and fluorinated ethylene were carried out previously and found two different …

Characterizing Body Fluids With Raman Spectroscopy : Towards Real World Application, Marisia Ann Fikiet

Legacy Theses & Dissertations (2009 - 2024)

This project continues the research on a new method of body fluid identification and furthers its field capabilities. This method of identification uses Raman spectroscopy and advanced chemometrics to distinguish between body fluids. It is an improvement on current methods because it is confirmatory, non-destructive, and has simple sample preparation. The first objective of this research is to create a model for differentiating body fluids for a new desktop instrument. It was determined that due to resolution differences from a research grade instrument, a new model needed to be made for this the desktop instrument. This model will be able …

Synthesis And Adsorption Experiments With Metal-Organic Frameworks For High School And Undergraduate Laboratory Settings, Kate Holley

Legacy Theses & Dissertations (2009 - 2024)

Seven experiments are described and outlined here that introduce high school and undergraduate students to metal–organic frameworks (MOFs) and their applications. The experiments were designed to be completed with basic laboratory equipment and supplies and without the use of expensive characterization instruments, simulating typical high school chemistry laboratory conditions. Students synthesized two well-known MOFs, HKUST-1 and aluminum fumarate, using simple, safe, and rapid methods (fast enough to be performed within the time constrains of a typical high school class). Students then use their synthesized MOFs to explore their inherent sorption properties. In one set of experiments, the synthesized MOFs are …

Computational Modeling As A Tool For Designing Ligands And Receptors, Waqas S. Awan

Legacy Theses & Dissertations (2009 - 2024)

Computational methods can be used for a wide range of applications, especially regarding DNA and RNA. Interactions such as sugar torsions, receptor-ligand interactions, ligand docking/drug docking, receptor modeling, and drug design are excellent candidates for computational analysis and in silico experiments. The use of molecular dynamics software (GROMACS) coupled with molecular design software (MOE) produce insights that may have been otherwise difficult to assess. All these problems are academic in nature but have practical uses outside of academia. Understanding alternate linkages can lead to antibiotic assays to address potential superbug epidemics. Modeling DNA superstructures can provide insight into how large …

Chem 124-002: General Chemistry Lab, Chunyan Liu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-008: General Chemistry Lab, Pin Gu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-106: General Chemistry Lab, Pin Gu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-104: General Chemistry Lab, Ngozi Onyia

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.