Physical Sciences and Mathematics Commons^™

Chem 126-041: General Chemistry Ii, David Fisher

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

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

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 …

Towards Trigonal Prismatic Hexanuclear Copper Complexes For Catalytic Water Oxidation, David I. Kreiger

FIU Electronic Theses and Dissertations

Our planet is running out of energy resources and traditional renewables are not easily transported nor will be sufficient to cover the void left by fossil fuels. Therefore, a new energy storage system needs to be adopted. The medium with highest energy density that is readily available is hydrogen from water. However, to access hydrogen, water needs to be oxidized and water oxidation catalysts (WOCs) will be required for widespread adoption. In pursuit of WOCs, several hexauclear copper complexes were synthesized and characterized, including the isolation and characterization of a mixed-valent Cu₆ (formally, Cu^II₅Cu^III) …

Resources For Interdisciplinary Understanding Of Energy, Alessandra Hughes, Jessica Trottier

Scholars Week

In most undergraduate curricula, students are expected to have the ability to apply, or transfer, a learned concept to new coursework. In the sciences, students are often introduced to energy ideas with discipline-specific vocabulary and tasks which encourage compartmentalized, surface-level understandings of energy concepts. Our research investigates student transfer of energy ideas within a coherent science course series, where physics is the foundational course. Similar modeling tools and vocabulary are used in the classes to help students see energy as a unifying framework. We seek to identify and describe what transfer “looks like” in this idealized context by interviewing students …

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

Arts & Sciences Electronic Theses and Dissertations

ABSTRACT OF THE DISSERTATION

Oxidative C–C and C–Heteroatom Reactivity of High-Valent Nickel Complexes

by

Sofia M. Smith

Doctor of Philosophy in Chemistry

Washington University in St. Louis, 2019

Professor Liviu M. Mirica, Chair

Professor Kevin D. Moeller, Co-Chair

Nickel 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 …

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 …

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 …

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 …

From General Chemistry To Anatomy And Physiology: Revalidating And Adapting Assessments And Models, Victoria Fisher

Theses and Dissertations

The 1980s saw an increasing demand for education standards that would create a scientifically literate society. In response, the American Association for the Advancement of Science (AAAS) published a report that outlined four themes that are characteristic of a scientifically literate individual: systems, models, constancy and change, and scale (1). In 1993, the AAAS published the Benchmarks for Science Literacy which outlined common scientific skills that a student should be able to demonstrate by grades 2, 5, 8, and 12 (2). Beyond the AAAS scale was not included in national science educational standards until 2012 when the National Research Council …

Improving Information Literacy Through Wikipedia Editing In The Chemistry Classroom: Lessons Learned, Ye Li, Charity Flener Lovitt, Anne J. Mcneil, Kristen S. Shuyler

Kristen S. Shuyler

Assignments in which students edit Wikipedia may help students learn about the complexities of information creation and production, while engaging them in researching and writing about topics related to class content. This chapter presents two case studies that illustrate how Wikipedia-based activities can be designed to achieve both chemistry and information literacy learning outcomes. In both examples, faculty partnered with a librarian to implement the Wikipedia editing assignments. Through these experiences, those involved learned about Wikipedia and its community, and identified promising practices for project requirements based on formal and informal assessment and observations. Reflections are offered on the value …

Teaching Climate Change Concepts And The Nature Of Science: A Library Activity To Identify Sources Of Climate Change Misconceptions, Charity Flener Lovitt, Kristen S. Shuyler

Kristen S. Shuyler

A library activity was developed in which students found information about climate science misconceptions from popular and scientific literatures. As part of the activity, students developed a rubric to evaluate the credibility and type of literature sources they found. The activity prepared students to produce an annotated bibliography of articles, which they then used to create a training document about a climate science misconception for staff at a local science center. Evaluation of annotated bibliographies showed that students were able to distinguish between popular and scholarly literature but struggled to identify primary and secondary sources within the scholarly literature. In …

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.

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 …

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 …

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

Chem 122-102: Fundamentals Of Chemical Principles Ii, Munirathna Padmanaban

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 126-H02: General Chemistry Ii, Bhavani Balasubramanian

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 125-006: General Chemistry I, Alexander Butherus

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Evsc 616-002: Toxicology, Pradyot Patnaik

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 412-102: Inorganic Reactions And Processes, Chaudhery Mustansar Hussain

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 777-102: Principles Of Pharmaceutical Chemistry, Pradyot Patnaik

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Metal-Organic Frameworks With Metal Catecholates For O2/N2 Separation, Samuel J. Stoneburner, Hakan Demir, Wooseok Jeong, Debmalya Ray, Xuan Zhang, Omar K. Farha, Christopher J. Cramer, Ilja Siepmann, Laura Gagliardi

Educator Scholarship

Oxygen and nitrogen are widely produced feedstocks with diverse fields of applications, but are primarily obtained via the energy-intensive cryogenic distillation of air. More energy-efficient processes are desirable, and materials such as zeolites and metal-organic frameworks (MOFs) have been studied for air separation. Inspired by recent theoretical work identifying metal-catecholates for enhancement of O2 selectivity MOFs, in this work the computation-ready experimental (CoRE) database of MOF structures was screened to identify promising candidates for incorporation of metal catecholates. Based on structural requirements, preliminary Grand-Canonical Monte Carlo simulations, and further constraints to ensure the computational feasibility, over 5,000 structures were eliminated …

Beyond Density Functional Theory: The Multiconfigurational Approach To Model Heterogeneous Catalysis, Samuel J. Stoneburner, Carlo Alberto Gaggioli, Christopher J. Cramer, Laura Gagliardi

Educator Scholarship

Catalytic processes are crucially important for many practical chemical applications. Heterogeneous catalysts are especially appealing because of their high stability and the relative ease with which they may be recovered and reused. Computational modeling can play an important role in the design of more catalytically active materials through the identification of reaction mechanisms and the opportunity to assess hypothetical catalysts in silico prior to experimental verification. Kohn-Sham density functional theory (KS-DFT) is the most used method in computational catalysis because it is affordable and it gives results of reasonable accuracy in many instances. Furthermore, it can be employed in a …

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 …

Chem 126a-002: General Chemistry Lab Ii, A Castro

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.