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Chemistry

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Articles 1 - 30 of 1995

Full-Text Articles in Physical Sciences and Mathematics

Emergent Photophyiscs In Diketopyrrolopyrrole Superstructures, Andrew Levine Jun 2021

Emergent Photophyiscs 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 May 2021

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., LCuII-hydroperoxide species that undergoes homolytic O-O bond ...


Applications Of Sodium Azide In The Synthesis Of Tetrazines And Hydrolysis Reactions, My Le May 2021

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 ...


Synthesis Of A Zinc Dipyrrin Complex For Photocatalytic Reduction Of Co2, Sylvia Meredith May 2021

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 Apr 2021

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 (MePEGnwhere 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 ...


Indolizine Donor-Based Dyes For Applications In Fluorescence Biological Imaging, William Meador Mar 2021

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 ...


Degradation Of Natural And Synthetic Fibers In Various Aqueous Environments, Jaylin Bryant Jan 2021

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 ...


Hypervalent Iodine Compounds With Halogen-Containing And Phosphinate Ligands, Yakun Cao Dec 2020

Hypervalent Iodine Compounds With Halogen-Containing And Phosphinate Ligands, Yakun Cao

Chemistry Theses and Dissertations

In modern organic chemistry, hypervalent (HV) iodine(III) compounds have been used widely as oxidizing agents but applications of λ3-iodanes in polymer and material chemistry is still underexplored. In the first project, a new series of heterocyclic HV iodine(III) compounds with I–Cl bonds and various substituents at the N atom were synthesized and successfully employed in the synthesis of highly branched polymers when added to mixtures of styrene and 1,4-divinylbenzene containing 10–80 mol% of the divinyl crosslinker, or even pure crosslinker. HV iodine(III) also can be utilized for polymer modification. HV iodine(III ...


A Brief Overview Of Analyzing Testing Procedures In The Quality Control Lab At Elanco Animal Health, Gina Fedrighi Oct 2020

A Brief Overview Of Analyzing Testing Procedures In The Quality Control Lab At Elanco Animal Health, Gina Fedrighi

Science Research Fellows Posters

The study of testing procedures within the quality control lab was conducted at Elanco Animal Health through the summer internship program. The internship program focuses on the development of young professionals as research and manufacturing leaders in the pharmaceutical industry. The purpose of this project was to determine ways in which to save both time and money in the quality control lab through the study of various quality testing procedures. Quality Control plays a vital role in the manufacturing process in order to ensure quality of products and consistency between batches. It is important to improve upon the current testing ...


Conceptualizing And Analyzing Metal-Organic Frameworks And The Role Of The Ionic Liquid, Sydney Forbes, Aaron Wills, Hilary Eppley Oct 2020

Conceptualizing And Analyzing Metal-Organic Frameworks And The Role Of The Ionic Liquid, Sydney Forbes, Aaron Wills, Hilary Eppley

Science Research Fellows Posters

The synthesis of Metal-Organic Frameworks, or MOFs, can be easily changed or manipulated simply by changing the solvent medium. The research focused primarily on the role ionic liquids (ILs) had in MOF synthesis. ILs can be defined as salts that are liquid at room temperature. IL ligands were found one of three ways in the final structure; either acting as the anion, cation, or neither and just acting as a medium for a reaction. This research primarily revolved around Cambridge Structural Database (CSD). The purpose of CSD was a way to look more closely at these crystalline structures from previous ...


Analysis Of Dynamical Systems For Synthesis Of Phenobarbital, Mishal Ali Oct 2020

Analysis Of Dynamical Systems For Synthesis Of Phenobarbital, Mishal Ali

Science Research Fellows Posters

The use of mathematical methods for the analysis of chemical reaction systems is one of the useful tools. Phenobarbital (a barbiturate type medication also called phenobarb) is a prescription drug used to control seizures, relieve anxiety, treat epilepsy (in some countries), and prevent withdrawal symptoms in people dependent on other barbiture drugs. We approaches it with matrix analysis and ODE system. It helps us understand the chemical stoichiometry of these synthesis reactions.

Supervisor: Prof. Seonguk Kim, PhD


Synthesis And Design Of Novel Polymer Grafted Nanoparticles Relevant To Drug Delivery Vehicles For Biomedical Applications, Maan Abduldiyem Hassan Al-Ali Oct 2020

Synthesis And Design Of Novel Polymer Grafted Nanoparticles Relevant To Drug Delivery Vehicles For Biomedical Applications, Maan Abduldiyem Hassan Al-Ali

Theses and Dissertations

The modification of inorganic nanoparticles with organic polymer chains has become a significant field of study for the engineering of advanced nanocomposite materials. This dissertation presents the design, synthesis, and characterization of novel polymer grafted silica nanoparticles as new strategies to combat bacterial resistance. Described herein is the synthesis of monomers that have been graft polymerized onto silica nanoparticles that can be used as a delivery drug vehicle for biomedical applications. The polymerization of these monomers was performed via reversible addition-fragmentation chain transfer (RAFT) polymerization. The molecular design of the RAFT agents that are attached to the surfaces of the ...


Visualizing And Analyzing Structures Of Coordination Polymers Synthesized In Ionic Liquids, Natalie Husby, Akane Inoue, Hilary Eppley Oct 2020

Visualizing And Analyzing Structures Of Coordination Polymers Synthesized In Ionic Liquids, Natalie Husby, Akane Inoue, Hilary Eppley

Science Research Fellows Posters

Synthesis of metal organic frameworks can result in different products based on the solvent that is used. One option is to use ionic liquids (ILs, or room temperature molten salts) to create novel metal organic coordination polymers. Our group analyzed metal organic polymers synthesized in ILs with the goal of cataloging the topology of the structures, the connectivity of the organic ligands, and the roles of the ILs in the syntheses. We used Sci-Finder Scholar to find papers where compounds were synthesized using ILs, and determined whether the IL played the role as the cation, anion, or neither in the ...


Ultra-High Vibrational And Rotational Motion Of The Hf Molecule Via Infrared (Ir) Laser Excitation, Toria Tucker, Jingwei (Mike) Ling, Bridget Gourley Oct 2020

Ultra-High Vibrational And Rotational Motion Of The Hf Molecule Via Infrared (Ir) Laser Excitation, Toria Tucker, Jingwei (Mike) Ling, Bridget Gourley

Science Research Fellows Posters

Our goals this summer were to build on previous work in our group modeling ultra-high vibrational and rotational excitation in small molecules via unique pulse sequencing of an infrared (IR) laser. The system was modeled both using Fortran and Mathematica as programming languages. We were able to demonstrate that different numerical techniques for propagating coupled differential equations forward in time led to equivalent levels of vibrational excitation and allowed for identical visualization of molecular state probabilities as a function of time. Work including the rotational motion progressed to the point of being able to see both significant excitation when rotations ...


Integration And Optimization Of A 3d Printed Continuous Flow Reactor In An Inorganic Complexation Reaction, Calli Burnell Sep 2020

Integration And Optimization Of A 3d Printed Continuous Flow Reactor In An Inorganic Complexation Reaction, Calli Burnell

Senior Honors Theses

Current inorganic lab setups do not allow students to use time in lab efficiently and does not allow students to do repeat runs of reactions due to time and material restraints. By implementing a 3D printed continuous flow reactor into the experiment students would be able to redo experiments in class without creating large amounts of waste, all while using a system that was created on campus at a reasonable price. It was found that a mixing chamber with an isobaric design created an environment that allowed complete mixing before reaching a point at which measurements are taken.


The Statue Of Liberty Laboratory Activity: The Chemistry Of Copper, Jihyun Kim, Marcus D. Allen Sep 2020

The Statue Of Liberty Laboratory Activity: The Chemistry Of Copper, Jihyun Kim, Marcus D. Allen

Open Educational Resources

In this lab activity we observe chemical changes of copper in acidic conditions, salt water, and a mixture of lemon juice and vinegar and salt, and we discuss whether the Statue of Liberty would hold as much cultural icon today had the Lady Statue remain the original shiny brown color.


Electrostatic Denaturation Of Dna-Cisplatin Adducts, Eddie Madrigal Aug 2020

Electrostatic Denaturation Of Dna-Cisplatin Adducts, Eddie Madrigal

Master's Theses

In this thesis, electrochemical approaches are used to determine the properties of deoxyribonucleic acid (DNA) by electrostatic denaturation. The electrochemical routine involves an application of a destabilization potential, an equilibration potential, and a square wave voltammogram (SWV) to monitor the extent of melting. Our method uses a monolayer consisting of thiol modified DNA and mercaptohexanol on a gold electrode. These electrodes are then incubated in a complementary sequence tagged with methylene blue. By using our electrostatic denaturation technique, different parameters are explored, such as surface densities, surface coverages, and ionic strengths. As proof of concept, these techniques were applied toward ...


Visualization Without Vision – How Blind And Visually Impaired Students And Researchers Engage With Molecular Structures, Croix J. Laconsay, Henry B. Wedler, Dean J. Tantillo Jul 2020

Visualization Without Vision – How Blind And Visually Impaired Students And Researchers Engage With Molecular Structures, Croix J. Laconsay, Henry B. Wedler, Dean J. Tantillo

Journal of Science Education for Students with Disabilities

This article examines the tools and techniques currently available that enable blind and visually impaired (BVI) individuals to visualize three-dimensional objects used in learning chemistry concepts. How BVI individuals engage with and visualize molecular structure is discussed and recent tactile (or haptic) and auditory methods for visualization of various chemistry concepts are summarized. Remaining challenges for chemistry education researchers are described with the aim of highlighting the potential value of educational research in further enabling BVI students to pursue careers in science, technology, engineering, and mathematics (STEM) fields.


I. Non-Degradable Polysiloxane Networks For Controlled Release Applications, And Ii. Additive Free, Degradable Silyl-Ether Furyl-Maleimide Networks, Caleb M. Bunton May 2020

I. Non-Degradable Polysiloxane Networks For Controlled Release Applications, And Ii. Additive Free, Degradable Silyl-Ether Furyl-Maleimide Networks, Caleb M. Bunton

Chemistry Theses and Dissertations

I. Two different series of non–degradable polysiloxane networks were prepared for the encapsulation and controlled release of a small molecule agent. For the first series, hydrosilylation was utilized to prepare networks of varying crosslink densities, as determined from swelling studies, from vinyl terminated and silylhydride functional poly(dimethyl)siloxanes. For the second series, the thiol-ene reaction was utilized to prepare networks of varying crosslink densities, as determined from swelling studies, from vinyl terminated and mercaptopropyl functional poly(dimethyl)siloxanes. Nile red dye was used as an encapsulated agent and dye release from each series of networks was measured using ...


Chemistry In Art: The Science Of Dye, Madeleine Gray Burland May 2020

Chemistry In Art: The Science Of Dye, Madeleine Gray Burland

Honors Projects

Fabric arts, and the practice of dyeing fabric using various resist techniques, is a tradition that goes back centuries, and is unique among art mediums in its relation to science, as the innovations in dye production have directly affected the art form. The development of synthetic dyes in the 1800’s greatly affected the way fabric is dyed, and subsequently the way clothes were made and consumed. As opposed to dyes made of natural materials, synthetic dyes cam in more colors, were brighter, easier to make in large quantities, and lasted longer since they didn’t fade with repeated washings ...


Approaches Towards The Synthesis Of Ketamine Metabolites, Ann K. Patrick May 2020

Approaches Towards The Synthesis Of Ketamine Metabolites, Ann K. Patrick

Honors Theses

Major Depressive disorder (MDD) plagues society and stands at the forefront of research as MDD affects approximately 16% of the population. Pharmaceutical drugs, including the selective serotonin reuptake inhibitors (SSRIs), have been used for MDD treatment and remain a popular option today. However, current antidepressant treatments have proven to be ineffective in just less than half of the patients. Research continues with the goal to better understand the mechanisms of the pathology of depression and to search for other treatment options. For example, the stress-neurogenesis hypothesis investigates the role of stress and decreased neuroplasticity within MDD.

Supporting the stress-neurogenesis hypothesis ...


Nasa L'Space Mission Concept Academy, Anaily Lorenzo May 2020

Nasa L'Space Mission Concept Academy, Anaily Lorenzo

Research Day

NASA L'Space Mission Concept Academy is a virtual academy in which we had to complete a 12-week team mission concept. Our mission objective was to design a small mission concept that characterized the polar water ice on Earth's moon. Our mission had to fit within the mission concept constraints (mass, volume, and budget). Our spacecraft design and scientific payload had to reflect what can be afforded within these constraints. To complete this mission concept, our team relied heavily on math, engineering, geology, and chemistry.


Surface-Enhanced Raman Spectroscopy For Cocaine Detection, Kiersten Jo Mead May 2020

Surface-Enhanced Raman Spectroscopy For Cocaine Detection, Kiersten Jo Mead

Chemistry

The detection of drugs of abuse using Raman spectroscopy is of particular interest to forensic researchers at the moment. Raman spectroscopy is highly specific, fast, non-destructive, and can be adapted for in-situ measurements, making it the ideal forensic technique. Researchers working under the guidance of Doctor Igor Lednev have been able to use UV resonance Raman spectroscopy to detect cocaine in oral fluid without the need for sample pretreatment. They were however unable to detect the cocaine at forensically relevant levels. To overcome this limitation, surface-enhanced Raman spectroscopy (SERS) was used in this proof of concept study for the detection ...


Microwave-Assisted Cleavage Of Cysteine Perfluoroaryl Thioethers, Taylor N. Bednar, Alissa R. Resnikoff, Jason Gavenonis Apr 2020

Microwave-Assisted Cleavage Of Cysteine Perfluoroaryl Thioethers, Taylor N. Bednar, Alissa R. Resnikoff, Jason Gavenonis

Faculty and Staff Publications By Year

The cysteine- perfluoroarene SNAr reaction allows for the sequence-specific attachment of dyes and affinity tags to peptides and proteins. However, while many methods exist for the desulfuration of native and functionalized cysteine residues, there are no reports of their application to perfluoroarylated cysteines. Herein we report both the hydrogenolysis of a perfluoroarylated cysteine to alanine and elimination to dehydroalanine, reactions that are both accelerated by microwave irradiation.


Exploration Of K2 Mycobacteriophages With Bred​, Colby Agostino, Olivia Schmitt Apr 2020

Exploration Of K2 Mycobacteriophages With Bred​, Colby Agostino, Olivia Schmitt

Chemistry & Biochemistry Student Scholarship

Colby Agostino ’22
Major: Biochemistry and Computer Science

Olivia Schmitt ’22
Major: Biochemistry

Faculty Mentor: Dr. Kathleen A. Cornely, Chemistry and Biochemistry

ZoeJ and Marcoliusprime are mycobacteriophage capable of infecting tuberculosis causing bacteria via the lytic and lysogenic cycles. The lytic cycle is the form of viral replication that results in cell death. Lysogeny involves phage DNA being integrated with the DNA of the host cell and preserved through binary fission. However, the bacteria causing tuberculosis do not die in the lysogenic phase. This research project will involve creating mutants of ZoeJ and Marcoliusprime that will not contain the genes ...


Breakthroughs In Obtaining Qm/Mm Free Energies, Phillip S. Hudson Apr 2020

Breakthroughs In Obtaining Qm/Mm Free Energies, Phillip S. Hudson

Graduate Theses and Dissertations

The computation of free energy is pivotal to understanding the fundamental nature of chemical phenomena. That is, whether a specific molecular outcome occurs spontaneously or is inherently unfavorable. The need to do this with consistent accuracy begs for the use of quantum mechanical (QM) methods. However, techniques for directly computing free energy differences with QM or mixed QM/MM methods are untenable, as the computational expense is quite exorbitant. At present, the most feasible approach for obtaining QM/MM free energies is employing the so-called indirect cycle, which relies on accurately computing free energy differences between low (e.g., molecular ...


Research And Review Of Polymethyl-Methacrylate Copolymers In The Development Of Enhanced Pharmaceutical Delivery Systems, Jake Dyess Apr 2020

Research And Review Of Polymethyl-Methacrylate Copolymers In The Development Of Enhanced Pharmaceutical Delivery Systems, Jake Dyess

Senior Honors Theses

The following thesis shall primarily explore the current research regarding the implementation of modifiable microscopic and nanoscopic polymer particles as novel pharmaceutical delivery systems. Polymethacrylate-based copolymers, such as EudragitTM, are sensitive to alterations in pH levels, becoming increasingly more soluble in response to an increase in pH. The selective solubility and modifiable nature of these polymers allows for greater flexibility of treatment options for patients (Patra et al., 2017). The wide range of functionality of polymethacrylate (PMA) may provide solutions to challenges relating to the current treatment and therapy of certain conditions. Research indicates that PMA based micro- and ...


Periodic Table Club, Makayla Gill, Kailynn Jensen Apr 2020

Periodic Table Club, Makayla Gill, Kailynn Jensen

Honors Expanded Learning Clubs

This club is dedicated to teaching the generation of future scientists the periodic table. This is designed to be a unique take on a STEM club that uses the periodic table as a backbone for a solid foundation in chemistry.


Paradigms For Creating Activities That Integrate Mathematics And Science Topics, Janet Bowers, Kathy Williams, Antoni Luque, Devon Quick, Mary Beisiegel, Jody Sorensen, Joan Kunz, Diane Smith, Lori Kayes Jan 2020

Paradigms For Creating Activities That Integrate Mathematics And Science Topics, Janet Bowers, Kathy Williams, Antoni Luque, Devon Quick, Mary Beisiegel, Jody Sorensen, Joan Kunz, Diane Smith, Lori Kayes

Journal of Mathematics and Science: Collaborative Explorations

Research has shown that undergraduate students benefit from seeing examples of mathematics applied to real-world situations. This article describes three different paradigms for how math and discipline partner faculty worked together to create mathematical activities that illustrate applications of the topics being studied in precalculus and calculus. All three examples are discussed within the framework of PDSA cycles to describe the process by which the teams collaborated to plan, enact, study, and refine their lessons. Findings discuss both the difficulties of creating integrated activities (differences in terms and definitions between math and science faculty, different foregrounding of math versus science ...


Chemistry Applied To The Arts, John William Mallet Jan 2020

Chemistry Applied To The Arts, John William Mallet

Science and Mathematical Science

It is naturally gratifying to me to find that the Class has been interested by the Lecture in question, the manuscript of which is at your disposal in accordance with your request.