Physical Sciences and Mathematics Commons^™

The Effects Copper Has On Casting Glass, K. Malika Haver

Honors Projects

The aim of this honors project was to discern the difference between how various types of copper reacted with glass. The two disciplines that were connected were chemistry and glassblowing. The basic components learned in chemistry were applied to glass with an end goal of a project installation that visualized the discoveries with copper. The glassblowing technique used was lost wax casting, and the two types of copper used were copper foil and fine copper metal powder. The copper was found to turn the glass into various blues with the intensity and darkness of the blues being dependent on the ...

Applied Math In Introductory Chemistry, Ji Kim, Grace Pai

Open Educational Resources

Students, particularly those who are non-science majors, often struggle with college-level science courses required for graduation due to the applied mathematics needed to successfully complete the course. This resource includes four activities on the topics of units and measurements, dimensional analysis, density, and gases. These topics were specifically designed to teach the mathematics embedded in these topics in a culturally responsive way. Throughout the activities, we incorporate these four elements of culturally relevant pedagogy (Ladson-Billings, 2009) in order to engage students in successfully solving basic mathematics in chemistry while promoting their interest in learning chemistry.

A Damaged Reputation: Nuclear Depictions In Entertainment Media, Alexander Cannon

Chemistry & Biochemistry Student Scholarship

This paper, originally written for Dr. Adamus Liotta in an honors chemistry class, explores the possibility of a significant influence over public common sense found in the depictions of entertainment media. Through careful analysis and interpretation of Godzilla, The Simpsons, Fallout, and Call of Duty, this paper finds a synergy throughout this diverse range of audience, medium and historical origin, which culminates in an effect much greater than the sum of its parts. This effect frames nuclear science, of any kind, in a hyperbolically catastrophic and horrific light, reinforcing an excessively cautious, pessimistic public perspective on nuclear technology in any ...

Synthesis Of Phosphonate-Based Diimide Ligands, Kenya V. Medina, Adelani Pius

St. Mary's University Honors Theses and Projects

There has been a resurged interest in the synthesis of metal-organic frameworks because of their potential applications in energy production and drug delivery. Although diimides are insoluble in aqueous solutions, the addition of phosphonic acid allows the complex to be water soluble, which greatly increases their application. Therefore, the creation of a hybrid metal-organic complex by the addition of phosphonic groups to diimide ligands can result in a polar porous compound. In this project the ligand design included the use of dianhydrides including pyromellitic dianhydride, naphthalenetetracarboxylic dianhydride, perylenetetracarboxylic dianhydride, and biphenyl-tetracarboxylic acid dianhydride. These dianhydride precursors were refluxed under argon ...

Strategic Consideration And Recommendation On Development Of Chemistry In China, Yanlin Cheng, Shuxian Wu, Qing Dai, Chunying Chen, Yuliang Zhao

Bulletin of Chinese Academy of Sciences (Chinese Version)

Chemistry, as a central science linking all the other sciences, has played an influential role in promoting the development of the whole scientific and technological field and the prosperity of economy and society. Developed countries strongly support the development of chemistry and effectively promote the level of chemical research and chemical industry. Since the founding of the People's Republic of China, chemical research has been supported among the field of natural sciences, and its current level is at the forefront of the world. However, there are still problems in the field of chemistry research in China, such as insufficient ...

P3k14c, A Synthetic Global Database Of Archaeological Radiocarbon Dates, Erick Robinson

Anthropology Faculty Publications and Presentations

Archaeologists increasingly use large radiocarbon databases to model prehistoric human demography (also termed paleo-demography). Numerous independent projects, funded over the past decade, have assembled such databases from multiple regions of the world. These data provide unprecedented potential for comparative research on human population ecology and the evolution of social-ecological systems across the Earth. However, these databases have been developed using different sample selection criteria, which has resulted in interoperability issues for global-scale, comparative paleo-demographic research and integration with paleoclimate and paleoenvironmental data. We present a synthetic, global-scale archaeological radiocarbon database composed of 180,070 radiocarbon dates that have been cleaned ...

Gas-Phase Acid-Base Properties And Conformations Of Oligopeptides Through Mass Spectrometry And Computational Studies, Yuntao Zhang

University of the Pacific Theses and Dissertations

This dissertation presents a comprehensive study of the peptides of interest to deeper understand the gas-phase acid-base properties in relation to their conformations and chirality. In the first part of the study, two pairs of alanine (A)-based isomeric peptides consisting of a basic probe, lysine (Lys) or 2,3-diaminopropionic acid (Dap), were investigated to understand the nature of the enhanced basicity when the basic probe was moved from the N-terminus to the C-terminus. In the second part of the study, alanine-based peptides containing a cysteine (C) as the acidic probe were investigated to understand the chirality effects on the ...

The Vagabond Flourine Atom Revisited: Dissociative Photoionization Of Tri- And Pentafluoropropene, Jessica K. De La Cruz

University of the Pacific Theses and Dissertations

Photoelectron Photoion Coincidence (PEPICO) Spectroscopy studies on two unsaturated hydrofluorocarbons (HFCs), also known as hydrofluoroolefines (HFOs), are presented here. Previously, the Sztáray group has studied the dissociation of trans-1,3,3,3-tetrafluoroprop-1-ene (ElixClean), which is a fourth-generation refrigerant and propellant and has lower global warming potential than its precursors. My study is an extension of the ElixClean study as it aims to explore how the different number of fluorine atoms impact the dissociation reactions of these molecules. Both 3,3,3-trifluoropropene (TFP) and cis-1,2,3,3,3- pentafluoropropene (PFP) are also utilized as propellants and refrigerants.Measurements were carried ...

Quantum Mechanics-Based Computational Chemistry Has Become A Powerful Partner In The Scientific Research Of Nitrogen-Rich Compounds, Paving The Way For Important Advances In Biochemical, Pharmacological And Other Related Fields, Dobrushe Denburg

Student Theses and Dissertations

The Computational Chemistry of Nitrogen-Rich Compounds; Insight into Pioneering Research

Nitrogen-rich functional groups have long been studied for their diversity; nitrogen can form single, double and triple bonds with itself, and will therefore exist in a very broad range of molecular arrangements. Poly-nitrogen compounds are highly energetic and electron rich, and many compounds display unique properties that allow participation in very specialized chemical reactions. Of import is their ubiquity in biological systems, and throughout the past century and currently, their biological relevance is deeply and widely explored in biochemistry and biomedicine, from their involvement in natural biological processes and complex ...

The Impact Of Project-Based Learning On Students In High School Chemistry In Rural Maine, Brianna Degone

Electronic Theses and Dissertations

Project-based learning (PBL) is an instructional strategy that is promoted throughout education for its use of active learning and ability to connect to real-world applications. Studies have been conducted on PBL ranging from early elementary grades through graduate courses, however little research considers the effectiveness of PBL at the secondary science level. This thesis considers the use of PBL and describes the implementation of a PBL unit in a rural Maine 11th grade chemistry classroom. The thesis aims to better understand the impact PBL has on students’ content learning and additional skills acquired through the PBL learning process. Along with ...

Statistical Potentials For Rna-Protein Interactions Optimized By Cma-Es, Takayuki Kimura, Nobuaki Yasuo, Masakazu Sekijima, Brooke Lustig

Faculty Research, Scholarly, and Creative Activity

Characterizing RNA-protein interactions remains an important endeavor, complicated by the difficulty in obtaining the relevant structures. Evaluating model structures via statistical potentials is in principle straight-forward and effective. However, given the relatively small size of the existing learning set of RNA-protein complexes optimization of such potentials continues to be problematic. Notably, interaction-based statistical potentials have problems in addressing large RNA-protein complexes. In this study, we adopted a novel strategy with covariance matrix adaptation (CMA-ES) to calculate statistical potentials, successfully identifying native docking poses.

Physical Chemistry, Ruth E. Stark

Open Educational Resources

This is a provisional syllabus for Physical Chemistry I (Thermodynamics), to be taught using an OER Textmap in Fall, 2021.

3d-Printable And Open-Source Modular Smartphone Visible Spectrophotometer, Brandon Winters, Nick Banfield, Cassandra Dixon, Anna Swensen, Dakota Holman, Braxton Fillbrown

Chemistry Faculty Publications

The past four decades have brought significant and increasingly rapid changes to the world of instrument design, fabrication, and availability due to the emergence of 3D printing, open-source code and equipment, and low-cost electronics. These, along with other technological advances represent a nexus in time ripe for the wide-spread production and availability of low-cost sophisticated scientific equipment. To that end, the design of a 3D printable and open-source, modular spectrometer is described. This specific instrument is distinctly different from others that have been reported in recent years in that it was designed outside of the “black box” paradigm of nearly ...

Correlation Effects On Intramolecular C-H...Oh And O-H...O Hydrogen Bond Interactions In Azelaic Acid: An Ab Initio Study, Sabina Kalata, Alina Huang, Ruben Parra

DePaul Discoveries

Electron correlation effects on both conventional, O-H…O, and nonconventional, C-H…O, intramolecular hydrogen bonds present in a selected azelaic acid folded conformation were evaluated ab initio using HF and MP2 methodologies. The relative strength of the hydrogen bonds was examined through different indicators derived from geometry, vibrational frequencies, and electron density along the hydrogen bond path. The HF method results in weaker O-H…O and C-H…O hydrogen bonds when compared with the corresponding results using the MP2 method. Additionally, the stability of the folded azelaic conformation is found to depend on the level of theory used. Accordingly, the ...

Structure And Reactivity Of The First Row Transition Metals Bearing Redox-Active Ligands And Tunable H-Bonding Interactions, Khashayar Rajabimoghadam

Chemistry Theses and Dissertations

Metalloenzymes, as natural catalysts, can break a reaction with high activation energy to multiple small reactions with lower activation energies; in these small reactions, multiple bonds form and dissociate rapidly, some metalloenzymes use redox-active ligands in their active site to provide the needed electrons for these multiple small reactions. Additionally, in the secondary coordination sphere in the vicinity of the metalloenzymes, the hydrogen bonding interactions facilitate the transfer and interaction of the substrates and the stabilization of the active intermediates. These unique features in metalloenzymes inspired chemists to design molecular models that can partially mimic the structure and reactivity of ...

Ahr Expression On Rorc-Expressing Immune Cells Is Essential For I3c-Mediated Protection Against Colitis, Michal C. Williams

Senior Theses

Colitis is an inflammatory bowel disorder (IBD) whose etiology is attributed to modification in the luminal microbiota and dysregulation in the immune response. Indole is a signaling molecule which is naturally produced by gut luminal microbiota. Indole-3- carbinol (I3C) is a compound commonly found in vegetables and a ligand for the aryl hydrocarbon receptor (AhR). Previous studies have detected decreased expression and activation on the AhR receptor in colitis patients, thought to possibly alter gut microbiota metabolism, subsequently promoting colitis. 1 AhR, expressed in a variety of immune and epithelial cells, contributes to gut homeostasis by affecting vital mediators such ...

Emergent Photophysics In Diketopyrrolopyrrole Superstructures, Andrew Levine

Dissertations, Theses, and Capstone Projects

Organic semiconductors have received substantial attention as active components in optoelectronic devices because of their processability and customizable electronic properties. Tailoring the organic active layer in these devices to exhibit desirable optoelectronic properties requires understanding the complex and often subtle structure-property relationships governing their photophysical response to light. Both structural organization and frontier molecular orbitals (FMO) play pivotal roles in energy relaxation processes, and complex interplay between organization and orbital energies are difficult to anticipate based upon the molecular structure of the components alone, especially in systems comprised of multiple components. In pursuit of design rules, there is a need ...

Cu-Promoted C-H Bond Hydroxylation Inspired By Cu-Dependent Metalloenzymes, Rachel Trammell

Chemistry Theses and Dissertations

From 2003 to 2015, Schӧnecker and Baran proposed a dinuclear Cu/O₂ species in their mechanistic proposal for the hydroxylation of sp³ C-H bonds within their systems (proposed based on yields). Inspired from the site selectivity of this methodology and poor analysis of the mechanism, the first project was inspired to re-examine the sp³ C-H bond hydroxylation by Schrӧnecker and Baran and perform an intensive investigation into understanding how Cu/O₂ interact which led us to propose a new mechanism based on the evidence collected (i.e., LCu^II-hydroperoxide species that undergoes homolytic O-O bond ...

Investigations Involving Mononuclear And Dinuclear Transition Metal Catalysts For Photochemical Carbon Dioxide Reduction, Ansu Edwards

Honors Theses

There is currently a global energy crisis, which is in desperate need of solutions. New energy sources are required that will not pollute as much as our longstanding reliance on nonrenewable fossil fuels as an energy source. This pollution involves large amounts of greenhouse gas emissions, predominantly carbon dioxide (CO₂), that contribute to environmental problems such as climate change. In this context, a fairly recent research direction to address this problem is the development of transition metal catalysts that can convert CO₂ into reduced carbon products that can serve as chemical fuels. This work focuses on the synthesis ...

Applications Of Sodium Azide In The Synthesis Of Tetrazines And Hydrolysis Reactions, My Le

Honors Theses

The inverse electron demand Diels−Alder cycloadditions of heterocyclic azadienes have provided a robust methodology for synthesizing highly substituted and functionalized heterocycles. It is widely used in organic synthesis and the pharmaceutical industry in the divergent construction of screening libraries and bioorthogonal conjugation. Each heterocyclic azadiene was found to possess a unique reactivity toward different classes of dienophiles, display predictable modes of cycloaddition, and exhibit substantial substituent electronic effects impacting their intrinsic reactivity and cycloaddition regioselectivity. Synthesis of 1,2,4,5-tetrazine has been reported in the literature since the late 19th century, showing scientists' tremendous interest in its application ...

Small Molecule Activation By Transition Metal Complexes: Studies With Quantum Mechanical And Machine Learning Methodologies, Justin Kyle Kirkland

Doctoral Dissertations

One of the largest areas of study in the fields of chemistry and engineering is that of activation of small molecules such as nitrogen, oxygen and methane. Herein we study the activation of such molecules by transition metal compounds using quantum mechanical methods in order to understand the complex chemistry behind these processes. By understanding these processes, we can design and propose novel catalytic species, and through the use of data-driven machine learning methods, we are able to accelerate materials discovery.

The Synthesis Of Photoswitchable Triptan Derivatives, Chelsea Sainsbury

Honors College

Serotonin has various functions throughout the body and directly effects many neurological diseases/disorders, like depression, that are linked to the dysregulation of serotonin. Triptans are indole containing drugs that bind to a subset of serotonin receptors (5-HT1Band 5-HT1D) and are used to treat migraines. In this project, the synthesis of anindole intermediate is attempted. Ideally, an azobenzene would have been added to the 5th position (replacing the primary amine). Azobenzenes are compounds composed of 2 benzene rings connected by a nitrogen-nitrogen double bond that can switch between cis and trans conformations by absorbing different wavelengths of light. The transformation ...

Synthesis Of A Zinc Dipyrrin Complex For Photocatalytic Reduction Of Co2, Sylvia Meredith

Undergraduate Honors Theses

Zinc dipyrrin complexes have the potential to act as cheap, effective photosensitizers. Synthesizing and studying different types could lead to more efficient solar energy harvesting processes, especially the production of solar fuel. Here, two attempts to synthesize 1,3,7,9-tetraphenyl-5-mesityldipyrromethene are reported and discussed. According to ¹H NMR, the first synthesis attempt was not successful. The second synthesis attempt was not purified effectively, so ¹H NMR produced inconclusive results. Further purification strategies or alternate synthesis methods are required.

Synthesis And Conductivity Analysis Of A Methyl (Polyethylene Glycol) Comb Polymer, Olivia Fox

Honors Theses

The overall goal of work in this field is to improve materials for use in a variety of applications in fuel cell and battery production. This thesis specifically investigates the synthesis of two variations of a methyl (polyethylene glycol) comb polymer electrolyte (MePEG_nwhere n=7) to understand how the molecular structure of an ion-conducting polymer affects its electrochemical properties. The MePEG used in this synthesis contains seven ethylene glycol groups and was added to a poly (methylhydrosiloxane) comb polymer backbone. In the first sample, the polymer contained only the MePEG sidechain, and in the second sample, the polymer ...

Progress Towards Synthesis And Characterization Of Bay-Annulated Indigo Chromophores, Katherine Weiss, Denise Femia

HON499 projects

Through acetylation, N,N’-diacetylindigo was synthesized from indigo. N,N’-diacetylindigo and 2-thiopheneacetyl chloride were combined in an attempt to synthesize 7-thiophenyl bayannulated indigo (BAI). After 1H NMR characterization, it was found that the product was not 7-thiophenyl BAI. A previously synthesized sample of 7-phenyl BAI was purified. UV-VIS absorbance, fluorescence, IR, and 1H NMR were used to characterize the compounds.

Alternative View Of Oxygen Reduction On Porous Carbon Electrocatalysts: The Substance Of Complex Oxygen-Surface Interactions, Giacomo De Falco, Marc Florent, Jacek Jagiello, Yongqiang Cheng, Luke L. Daemen, Anibal J. Ramirez-Cuesta, Teresa J. Bandosz

Publications and Research

Electrochemical oxygen reduction reaction (ORR) is an important energy-related process requiring alternative catalysts to expensive platinum-based ones. Although recently some advancements in carbon catalysts have been reported, there is still a lack of understanding which surface features might enhance their efficiency for ORR. Through a detailed study of oxygen adsorption on carbon molecular sieves and using inelastic neutron scattering, we demonstrated here that the extent of oxygen adsorption/interactions with surface is an important parameter affecting ORR. It was found that both the strength of O2 physical adsorption in small pores and its specific interactions with surface ether functionalities in ...

Indolizine Donor-Based Dyes For Applications In Fluorescence Biological Imaging, William Meador

Honors Theses

NIR emissive fluorophores are intensely researched due to their potential to replace modern imaging procedures. Many molecular strategies have been employed in the literature to optimize fluorophores for deeper NIR absorption and emission, biocompatibility, and higher fluorescence quantum yields. Amongst the fluorophores studied to date, proaromatic indolizine donors are attractive alternatives to traditional alkyl amine and indoline based donors due to their 1) lower energy absorption and emission facilitated by proaromaticity, 2) large Stokes shifts due to increased dihedral angles about the π-system, 3) ease of functionalization and capacity for bioconjugation at the phenyl ring, and 4) potential for further ...

Substituent Effects On The Solubility And Electronic Properties Of The Cyanine Dye Cy5: Density Functional And Time-Dependent Density Functional Theory Calculations, Austin Biaggne, William B. Knowlton, Bernard Yurke, Jeunghoon Lee, Lan Li

Materials Science and Engineering Faculty Publications and Presentations

The aggregation ability and exciton dynamics of dyes are largely affected by properties of the dye monomers. To facilitate aggregation and improve excitonic function, dyes can be engineered with substituents to exhibit optimal key properties, such as hydrophobicity, static dipole moment differences, and transition dipole moments. To determine how electron donating (D) and electron withdrawing (W) substituents impact the solvation, static dipole moments, and transition dipole moments of the pentamethine indocyanine dye Cy5, density functional theory (DFT) and time-dependent (TD-) DFT calculations were performed. The inclusion of substituents had large effects on the solvation energy of Cy5, with pairs of ...

Improving Conceptual Understanding Of Gas Behavior Through The Use Of Screencasts And Simulations, Brianna L. Martinez, Ryan D. Sweeder, Jessica Vandenplas, Deborah Herrington

Peer Reviewed Articles

Engagement with particle-level simulations can help students visualize the motion and interactions of gas particles, thus helping them develop a more scientifically accurate mental model. Such engagement outside of class prior to formal instruction can help meet the needs of students from diverse backgrounds and provide instructors with a common experience upon which to build with further instruction. Yet, even with well-designed scaffolds, students may not attend to the most salient aspects of the simulation. In this case, a screencast where an instructor provides narrated use of the simulation and points students towards the important observations may provide additional benefits ...

Degradation Of Natural And Synthetic Fibers In Various Aqueous Environments, Jaylin Bryant

Honors Theses

Fabrics are one variant of polymers, macromolecules that form the foundation of our society. They consist of small subunits called monomers, which are covalently bonded together and layered over each other through intermolecular attractions. There are natural fabrics, such as cotton and silk, and synthetic fabrics like polyester and rayon. Scientists in forensic taphonomy study postmortem changes made to human remains, which can also include clothes found at the scene. In this study, the degradation rates of four white fabrics (cotton, polyester, rayon, and silk) were observed in various aqueous environments (pure, chlorinated, sea, and lake) in order to observe ...