Chemistry Commons^™

Computationally Aided Design Of A High-Performance Organic Semiconductor: The Development Of A Universal Crystal Engineering Core, Anthony J. Petty Ii, Qianxiang Ai, Jeni C. Sorli, Hamna F. Haneef, Geoffrey E. Purdum, Alex M. Boehm, Devin B. Granger, Kaichen Gu, Carla Patricia Lacerda Rubinger, Sean R. Parkin, Kenneth R. Graham, Oana D. Jurchescu, Yueh-Lin Loo, Chad Risko, John E. Anthony

Chemistry Faculty Publications

Herein, we describe the design and synthesis of a suite of molecules based on a benzodithiophene “universal crystal engineering core”. After computationally screening derivatives, a trialkylsilylethyne-based crystal engineering strategy was employed to tailor the crystal packing for use as the active material in an organic field-effect transistor. Electronic structure calculations were undertaken to reveal derivatives that exhibit exceptional potential for high-efficiency hole transport. The promising theoretical properties are reflected in the preliminary device results, with the computationally optimized material showing simple solution processing, enhanced stability, and a maximum hole mobility of 1.6 cm² V⁻¹ s⁻¹.

Tio2/S-Doped Carbons Hybrids: Analysis Of Their Interfacial And Surface Features, Teresa Bandosz, Alfonso Policicchio, Marc Florent, Po S. Poon, Juan Matos

Publications and Research

Hybrids containing approximately equal amounts of P25 TiO2 and S-doped porous carbons were prepared using a water-based slurry mixing method. The materials were extensively characterized by adsorption of nitrogen, potentiometric titration, thermal analysis in air and in helium, XRD, XPS and SEM. The collected results showed the significant blockage of carbon micropores by TiO2 particles deposited on their outer surface. The formation of a new interface, especially for the S-rich samples, might also contribute to the porosity alteration. Analysis of surface chemistry suggested the presence of Ti-S bonds with an involvement of sulfur from thiophenic species in the carbon phase. …

Pyrenylpyridines: Sky-Blue Emitters For Organic Light-Emitting Diodes, Thenahandi Prasanthi Deepthika Silva, Sang Gil Youm, George G. Tamas, Boqian Yang, Chun-Han Wang, Frank R. Fronczek, Girija Sahasrabudhe, Sierra Sterling, Rashanique Quarels, Pratap K. Chhotaray, Evgueni E. Nesterov, Isiah M. Warner

College of Science & Mathematics Departmental Research

A novel sky-blue-emitting tripyrenylpyridine derivative, 2,4,6-tri(1-pyrenyl)pyridine (2,4,6-TPP), has been synthesized using a Suzuki coupling reaction and compared with three previously reported isomeric dipyrenylpyridine (DPP) analogues (2,4-di(1-pyrenyl)pyridine (2,4-DPP), 2,6-di(1-pyrenyl)pyridine (2,6-DPP), and 3,5-di(1-pyrenyl)pyridine (3,5-DPP)). As revealed by single-crystal X-ray analysis and computational simulations, all compounds possess highly twisted conformations in the solid state with interpyrene torsional angles of 42.3°–57.2°. These solid-state conformations and packing variations of pyrenylpyridines could be correlated to observed variations in physical characteristics such as photo/thermal stability and spectral properties, but showed only marginal influence on electrochemical properties. The novel derivative, 2,4,6-TPP, exhibited the lowest degree of crystallinity as …

Nextgen Advises "Trying To Manage", Douglass Steinhauff, Joel Henrique Ellwanger, Monika Lewinska, Edmond Sanganyado, Yongsheng Ji, Buddini Iroshika Karawdeniya, Naike Bochatay, Eric Britt Moore, Aminata Coulibaly, Shaima Ibrahim, Déna Skye Jansen, Joshua I. James, David M. Cole, Anna Lipkin, Beth Mckinnon Adamowicz, Science Management Associates, Shervin Fatehi, Maria Helena Holmstrom, Rosa Li

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

Peer mentors can provide crucial support to young scientists by asking questions to facilitate further reflection, assuring mentees that they are not alone, and suggesting potential next steps. We asked our readers to act as peer mentors to “Trying to Manage,” the anonymous student who posed the question above. Follow NextGen Voices on Twitter with hashtag #NextGenSci. Read previous NextGen Voices survey results at https://science.sciencemag.org/collection/nextgen-voices. —Jennifer Sills

Synthesis Of Ether Alcohols With Varying Catalysts, Hannah Grady, Frida Li, Jeffrey A. Hansen

Annual Student Research Poster Session

It has previously been found that acids and bases are effective catalysts in the opening of epoxides into ether alcohols. Our first goal for this summer was to determine which of the acids and bases available were the most effective. After figuring out which of the acids and bases are the optimal catalysts, our second goal was producing ether alcohols in the shortest amount of time with higher yields. Our final goal was to see how biologically reactive the ether alcohols we produced were.

Opening Of An Epoxide Ring Using Azide To Form A Triazole, Emily Hufnagel, Jeffrey A. Hansen

Annual Student Research Poster Session

The purpose of this research project is to identify and synthesize biologically active compounds that could potentially aid in pharmaceutical research. Once a compound is correctly identified and purified, the sample can be diluted and added to a Brine Shrimp Lethality Assay in order to determine the toxicity of the compound. This experiment was designed using an epoxide compound to form an azide that would eventually form a triazole. In carrying out this project, two main procedures were used in order to create two different compounds that would eventually create the final result. The triazole was not successful in the …

Automation Of Karl Fischer Titration For Animal Pharmaceutical Product Testing At Elanco Animal Health, Elizabeth L. Grubbs

Annual Student Research Poster Session

Ever wonder what doing research looks like in the context of working in industry? This summer I had the opportunity to work at Elanco Animal Health, the world’s third largest animal pharmaceutical company (and growing!) I worked in the Quality Control laboratories where products are tested before they are sent out the door. I did research to automate a process that checks for the water content of various animal health products. The water content of these products is important for many reasons including expiration dates and FDA requirements. The process that I automated is called Karl Fischer titration and is …

Chemistry And Biochemistry News, Georgia Southern University

Biochemistry, Chemistry & Physics: News & Publications (2012-2023)

• Chemistry at STEMFEST-2019

Increasing Expression Of Civic-Engagement Values By Students In A Service-Learning Chemistry Course, Audrey E. Mcgowin, Rebecca Teed

Chemistry Faculty Publications

A service-learning course at a midsized Midwestern research university was modified over a period of six years to integrate best-practice pedagogies that have been shown to increase civic engagement by students. Best-practice pedagogies included regular interaction with community partner(s), significant time spent on the service activity, and regular reflection (written and verbal) on the implications of the service activity. Besides water quality monitoring, students performed private well water analysis, wrote multiple formal reflection papers, and presented a public talk on the results of their project that included significant discussion time with community partners. Authentic expression of civic engagement values was …

It's Elementary: A Review Of Forensic Analysis Techniques Of Inorganic Components Of Explosives, Sadie Schultz

Chemistry & Biochemistry Student Projects

No abstract provided.

Antioxidants And Beta-Carotene: A General Overview, A Research History, And Modern Scholarship, James Joseph Dickman Iv

Chemistry & Biochemistry Student Projects

This paper seeks to provide a cursory overview of oxidative stress and the accompanying biomolecules which are used to combat it. From there, the paper will provide a somewhat comprehensive list of major historical discoveries regarding antioxidant molecules, in particular beta-carotene. After this, an overview of more modern scholarship on the issue of these molecule’s antioxidant properties specific (from the 1970s onward) will be discussed up to modern times. The paper will conclude with an in depth look at the modern scholarship on beta-carotene that was performed here at Taylor University.

Bone Regeneration Via Inorganic/Organic Compatibility In A Newly Synthesized Hydrogel: Nhap-Bmp-2, Hannah Ewing

Chemistry & Biochemistry Student Projects

In this paper, nHAp-BMP-2 hydrogel is carefully synthesized in order to optimize the organic and inorganic compatibility which induces osteogenesis—the formation of new bone. This new method is a novel development within the medical field, giving more hope to those suffering from traumatic bone injuries. A drawback with using hydrogels is the difficulty of controlling peptide release in the affected areas. Too quick of a release alarms the human inflammatory response resulting in more substantial injury and an even prolonged recovery time. On the other hand, if the peptides that promote bioactivity are released too slowly, the bone will not …

Quantum Chemical Methods: Its History And Future, Erica Mitchell

Chemistry & Biochemistry Student Projects

No abstract provided.

Significance And Implications Of Vitamin B-12 Reaction Shema- Eth Zurich Variant: Mechanisms And Insights, David Joshua Ferguson

Chemistry & Biochemistry Student Projects

This is an undergraduate chemistry thesis document. This involves a discussion of the mechanisms and overall reactions involved in the total synthesis of vitamin B-12.

The History And Development Of Identification: Rediscovery And Application Of Egyptian Blue, Bailee Allen

Chemistry & Biochemistry Student Projects

The use of fingerprints as a form of identification in criminal cases has become a common method of conviction within the criminal justice system. However, with the recent rise in the number of people wrongly convicted, the typical sources of evidence have come into question about their reliability. Multiple common drawbacks found when using fingerprints dusting to obtain prints from crime scenes has led to researchers looking for more efficient ways to collect them that maintain high sensitivity and contrast. These are the two aspects that create the largest problem, especially on highly reflective and highly patterned surfaces. The discovery …

The Chemistry Of Jellybeans, Andrew Carter

Chemistry & Biochemistry Student Projects

Jellybeans are an amazing work of chemistry. In my paper, I outline the history and science behind this little candy. My paper describes taste receptors, molecular structure, and the analytical chemistry that help to make flavor science an interesting field of work.

Metallodrugs And Their Various Impacts On Disorders And Diseases, Paige Wagner

Chemistry & Biochemistry Student Projects

No abstract provided.

Can The Merpas Passive Air Sampler Discriminate Landscape, Seasonal, And Elevation Effects On Atmospheric Mercury? A Feasibility Study In Mississippi, Usa, Byunggwon Jeon, James V. Cizdziel

Faculty and Student Publications

© 2019 by the authors. Accurately measuring gaseous elemental mercury (GEM) concentrations in the atmosphere is important to understand its sources, cycling, distribution, and temporal trends. The MerPAS passive air sampler from Tekran Inc. (Toronto, ON, Canada) captures GEM on sulfur-impregnated activated carbon after it passes through a Radeillo diffusive barrier. Because they are small, relatively low in cost, and require no power, they can be deployed at multiple locations, yielding a much greater spatial resolution, albeit at coarser temporal resolution, compared to active sampling. In this study, we used the MerPAS to measure GEM concentration gradients at a mixed …

The Periodical Fall 2019, Southern Adventist University

the Periodical – Chemistry Department Newsletter

Volume 7, issue 1 of the Periodical includes articles about new faculty member Tamie Suzuki, an alumni spotlight, general department news, at a pictorial listing of 2019 December chemistry graduates.

Data From: Cavitation Clusters In Lipid Systems – The Generation Of A Bifurcated Streamer And The Dual Collapse Of A Bubble Cluster, Silvana Martini, Peter Birkin, Tadd T. Truscott

Browse all Datasets

Over the past decade several studies have reported the use of high intensity ultrasound (HIU) to induce the crystallization of lipids. The effect that HIU has on lipid crystallization is usually attributed to the generation of cavities but acoustic cavitation has never been fully explored in lipids. The dynamics of a particular cavitation cluster next to a piston like emitter in an oil, was investigated in this study. The lipid systems, which are important in food processing, are studied with high-speed camera imaging, laser scattering and pressure measurements. A sequence of stable clusters were noted. In addition, a bifurcated streamer …

Leaving Ligand Effects On Reactivity And Solubility Of Monofunctional Platinum(Ii) Anticancer Complexes, Heidi Linn Hruska Millay

Masters Theses & Specialist Projects

Monofunctional platinum(II) complexes, such as phenanthriplatin and pyriplatin, have notably different characteristics from the bifunctional anticancer complexes, such as cisplatin and oxaliplatin, which have detrimental toxicities and resistance associated with them. The unique properties of the monofunctional complexes may be exploited to target cancer cells without producing the toxic side effects associated with the current FDA-approved platinum-based anticancer drugs. To advance the understanding of these monofunctional platinum(II) complexes, this study replaced the chloride leaving ligand with an acetate group, which should increase solubility and alter the rate of reactivity with key amino acid and nucleotide targets. Phenanthriplatin and pyriplatin compounds …

Interaction Of A Platinum Triamine Complex Having A Seven-Membered Chelate Ring With N-Acetyl-Lmethionine And Guanosine 5'-Monophosphate, Jae Ko

Masters Theses & Specialist Projects

In the 1960s, Rosenberg and his colleagues confirmed the anti-cancer activity of cisplatin. Although cisplatin was capable of killing testicular cancer cells there were also serious side effects. It was necessary to find alternate ways of overcoming side effects, and soon many researchers have discovered novel platinum compounds that show similar reactivity. Recently, replacing one chloride group to a heterocyclic amine group showed significant cytotoxicity with a different binding activity than cisplatin. Previously in our lab, [Pt(Me5dien)(NO3)]+ and [Pt(Et2dien)Cl]+ have been synthesized and reacted with NAcetyl- L-methionine (N-AcMet) and Guanosine 5’-monophosphate (5’-GMP) showed unusual reactivity. Unlike most previously studied platinum …

In Search Of The Hot Spot., Danielle M Mcrae, François Lagugné-Labarthet

Chemistry Publications

Tip-enhanced spectroscopy and its Raman variant, tip-enhanced Raman spectroscopy (TERS), provide the possibility to spatially resolve the vibrations of a single molecule when combined with ultra-high vacuum technology, but this technique suffers from poor time resolution2,3. On the other hand, surface-enhanced Raman spectroscopy (SERS) is a more common technique, and is used for many imaging and bioanalytical applications, still with single molecule sensitivity but, unlike TERS, without spatially resolved molecular imaging capabilities4. In SERS, the roughness and geometric characteristics of metallic surfaces (in general Al, Ag or Au) are exploited to enable high spatial …

Chemical Speciation In Silver Bow And Blacktail Creeks: Implications For Bioavailability And Restoration, Johnathan Feldman

Graduate Theses & Non-Theses

Silver Bow and Blacktail Creeks, contaminated with toxic elements from mining, present a need for remediation and restoration. Trace elements are present in elevated concentrations, particularly copper. Determining element speciation will allow informed consideration of effective restoration strategies, by providing a foundation for assessing bioavailability and toxicity. The three goals are: determine how speciation varies between seasons and sites in four impacted sites from the greater Butte Area One, an impacted downstream site known as Santa, and a control site on Upper Blacktail Creek known as Blacktail; how these variations influence bioavailability and toxicity; and what causes these variations. Total …

Synthesis Of Bis(Imino)Pyridine Iron(Ii) Complexes And Development Of Bis(Imino)Pyridine Iron(Ii) Catalyzed Carbene Transfer Reactions, Ban Wang

Masters Theses & Specialist Projects

Metal catalysis of symmetric and asymmetric carbene transfer reactions has been widely applied in natural product synthesis and material science over years. Metal carbene can be easily generated from the extrusion of nitrogen under the catalysis of metal complexes to further undergo various organic reactions, O/N/C-H insertions, cycloadditions, and ylide formations. Currently, the dominant effective catalysts for carbene reactions are built with expensive precious metal, for example, rhodium, ruthenium, palladium, gold. Notably, the effective reactivity and enantioselectivity of the dirhodium(II) catalysts are researched and established over the decades. However, the use of precious metal catalysts is the major source of …

Chemistry Matters Fall 2019, Otterbein University Chemistry Department

Chemistry Matters Department Newsletter

In this issue:

A Word from the Chair, Homecoming Tailgate, Students Present at National Meetings, Class of 2015 Updates, Part-Time Faculty Recognized for Outstanding Teaching, Writing Poems, Periodically, Faculty Sabbatical at the Interface of Chemistry and Art, Fall ACS Meeting, Summer Student Internships, 2019 Science Lecture Series, Class of 2019 Updates

Double-Click Enables Synthesis Of Chemical Libraries For Drug Discovery, Joseph J. Topczewski, En Chih Liu

Chemistry Faculty Research & Creative Works

No abstract provided.

Electrochemistry Of Illusive Barbosalite, Fe²⁺Fe³⁺ 2(Po₄)₂(Oh)₂: An Iron Phosphate Related To Lipscombite Structure, Prashanth Sandineni, Kartik Ghosh, Amitava Choudhury

Chemistry Faculty Research & Creative Works

Barbosalite, an iron hydroxy-phosphate belonging to the family of Lazulite has been synthesized using hydrothermal route and its electrochemical property is investigated for the first time with respect to Li-ion batteries. The structure, as determined from single-crystal X-ray diffraction data, built up of undulating layers of FeO₆ octahedra, consisting of trimers and PO₄ tetrahedral units. Magnetic susceptibility measurements show predominant overall anti-ferromagnetic interactions and room temperature 57Fe Mössbauer spectroscopic studies confirm the mixed 3+ and 2+ oxidation states of Fe in the compound. The compound is stable up to 400°C and undergo facile electrochemical lithium insertion. Galvanostatic charge-discharge …

Formative Assessments Using Text Messages To Develop Students’ Ability To Provide Causal Reasoning In General Chemistry, Ryan D. Sweeder, Deborah Herrington

Peer Reviewed Articles

Formative assessment is critical in providing students the opportunity to self-assess their content knowledge and providing data to inform instructional decisions. It also provides students with information about course expectations. If, as called for in numerous science instruction reform efforts, we expect students to be able to apply their chemistry knowledge to analyze data and construct coherent explanations, then not only must summative assessments include items that require this of students, but students must also be provided with frequent and ongoing opportunities to individually practice this difficult task and receive feedback. Although online homework systems can be quite effective at …

Organic Chemistry Ii Lab Manual, Caitlyn Bailey

Senior Honors Theses

This project aims to supply a full lab manual and grading key for Organic Chemistry II, a class often taken by sophomores in Liberty University’s science degree programs. Properly applied laboratory experiments create a beneficial learning environment for science students by using hands-on procedures to transform intangible lecture concepts into concrete demonstrations. Lab work also fosters the development of problem-solving and critical-thinking skills that students need in research and the workplace. Thus, having a comprehensive lab manual is critical to students’ success and understanding in this upper-level class. This project adds to the experiments of Organic Chemistry II lab through …