Physical Sciences and Mathematics Commons^™

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.

The Coordination Chemistry Of The Rhodizonate Dianion And Its Decomposition Products, Joshua A. Silverman

FIU Electronic Theses and Dissertations

The rhodizonate dianion is of importance for forensic testing, specifically with regard to the sodium rhodizonate test for lead in gunpowder residues. In an effort to understand this test from a chemical perspective, the coordination of rhodizonate and its decomposition products, croconate and oxalate, with several metals has been investigated with a variety of structural and spectroscopic methods.

FT-IR data of the three sequential steps of the sodium rhodizonate test show coordination between Pb(II) atoms, tartrate anions, and rhodizonate dianions, with the tartrate being substituted for Cl^- once a 5% HCl solution is added to produce the confirmatory blue-purple …

Lanthanide Interactions With Ligands And Biomolecules: Spectroscopic And Extraction Studies, Setareh Sakhdari

FIU Electronic Theses and Dissertations

Lanthanides (Ln), also known as rare earth metals, have been utilized for industrial and biological purposes and are commonly encountered in the 3+ oxidation state as Ln³⁺. The presence of Ln in spent nuclear fuel introduces problems during the transmutation and partitioning of actinides (An) due to the Ln high neutron cross-sections. Therefore, designing ligands for Ln³⁺ complexation, can be helpful for their separation from An³⁺ in nuclear technology. Also, the biomimetic roles of Ln³⁺ could be suitable for studying the biological macromolecules, such as the Ca²⁺-binding EF-hand proteins that are otherwise inaccessible …

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 of …

The Analysis Of Heavy Metals In Samples Of Honey Using X-Ray Fluorescence And Anodic Stripping Voltammetry, Mia Arrieta, Kaleigh Beale

Spring Showcase for Research and Creative Inquiry

A daunting reality is haunting scientists as Colony Collapse Disorder (CCD) is declining bee population in the United States (1). A concrete conclusion as to why CCD is happening remains unclear but extensive research and studies are leaning towards a toxic component in honey to bees called hydroxymethylfurfural (HMF) (1). HMF has been a culprit in question for a while but researchers are still on the fence as to whether it should be concluded as such. It is theorized that HMF is formed in very warm temperatures and catalyzed by a metal in honey; manganese (1). Manganese is one of …

Chemistry Meets Art: Instrumental Analysis At The Lcva, James Rakes, Mia Arrieta, Kaleigh Beale, Adonel Grubb

Spring Showcase for Research and Creative Inquiry

This project is an ongoing collaboration between the Longwood chemistry program and the Longwood Center for the Visual Arts. The demonstration shows the capabilities of the X-ray fluorescence spectrophotometer as a non-destructive elemental analysis technique. Our class visited the LCVA to analyze several pieces in their art collections. We were able to utilize the XRF instrument to analyze the elemental composition of glass and metal, painted pottery and porcelain, oil paintings, and metals. This project lays the groundwork for further research using X-ray fluorescence for non-destructive chemical analysis.

Chemical Analysis Of An Herbal Opioid, Lauren Johnson

Spring Showcase for Research and Creative Inquiry

Different chromatography techniques were used to analyze the concentration of an active component, mitragynine, in kratom samples. The analysis also compared three different extraction methods, one using ultrasonification, the other two using a commercial at home espresso maker. Using gas chromatography mass spectrometry, and high performance liquid chromatography, comparisons between key compounds in the substances were determined and concentrations of mitragynine within the samples were calculated.

Cis-Trans Isomerism In Single Molecule Electronic Devices, Tinsae Alem

Spring Showcase for Research and Creative Inquiry

We investigated the switching properties of cis-trans isomers of azobenzene for single molecule electronics. Although the cis-trans isomerization leads to structural changes within the molecule, the current flow is found to depend mainly on the relative position of the electrodes. The on/off ratio was determined to measure the performance of these isomers as switches. Different cis-trans isomers were studied to compare results.

Water Quality Assessment Of Farmville, Va, Meghan Hall

Spring Showcase for Research and Creative Inquiry

In Farmville, some people drink tap water, but others choose only to drink filtered or bottled water. Some blame this on taste, and others say the mineral content affects their skin from sinks and showers. I propose to conduct an analysis of water hardness and chloride, nitrate, and lead levels of water from various sources in Farmville, Virginia. To measure each parameter, an EDTA titration was carried out to test for water hardness, anodic stripping voltammetry was conducted to detect lead, ion-selective electrode was used to measure chloride, and a modified Griess reaction was carried out to measure nitrate levels. …

A Non-Destructive Analytical Technique Used For Analyzing A Variety Of Glassware Samples In Hopes To Determine Their Elemental Composition Based Off Their Qualitative And Quantitative Data Results., Angela Scarpa

Spring Showcase for Research and Creative Inquiry

In this study, XRF analysis was used to examine and identify specific glassware samples, exported from remote locations, in hopes to determine any correlation between the glass samples being tested. During experimentation, there were 41 glass samples and 3 glass standards that were examined and quantitatively analyzed to determine the elemental compositions of all samples. To ensure optimal sensitivity of these different materials, four methods were utilized to confirm accurate data is collected and to improve all quantitative data results. These four methods contain distinct experimental factors and were purposely selected due to their specific current, voltage, filter, time, and …

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 the …

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. …

Optimization Of Simple And Inexpensive Paper-Based Assay For Lead, Kyla Dewittie, Sagar S. Patel

Summer Scholarship, Creative Arts and Research Projects (SCARP)

The Environmental Protection Agency (EPA) guidelines state that lead is a toxic metal that humans should not be exposed to in any amount. Due to corrosion of water pipes, lead can enter drinking water and be consumed by millions of people. As a group, we decided to reduce this issue by creating a simple and inexpensive paper-based test to detect lead(II) in water. The signal for this test results from encapsulating a phenanthroline-based probe in synthesized polymer nanoparticles. This test will display a colorimetric change, turning from yellow to bright orange if lead(II) is present in the water system. In …

Synthesis And Characterization Of Oxovanadium Compounds As Potential Insulin Mimetic Molecules, Kaitlyn Mercando, Jeffrey A. Rood

Summer Scholarship, Creative Arts and Research Projects (SCARP)

Oxovanadium(IV) complexes have numerous applications in diverse areas such as catalysts for organic transformations and as anti-fungal agents. Complexes that this research focused on have shown potential in acting as insulin mimetics. The goal of this research was to synthesis and fully characterize a new series of oxovanadium complexes and then investigate the insulin mimetic properties of the complexes with adipose cell culture work. Vanadyl complexes involving a series of salicylaldiminato ligands [C6H5N=CHC6H4OH (L1), 2,6-iPrC6H3N=CHC6H4OH (L2), C6H5N=CH-3,5-tBu2C6H2OH (L3) and 2,6-iPrC6H3N=CH-3,5-tBu2C6H2OH (L4)] were synthesized and structurally characterized. The ligand set was investigated due to the ease of sterically tuning the substituents …

Incorporation Of Luminescent Osmium Complexes Into Metal-Organic Frameworks: Optimization Of Osmium Complex Synthesis And Effect Of Mof Structure On Complex Inclusion And Emission, Brandon A. Molina, Lucas Stehle, Jeffrey A. Rood

Summer Scholarship, Creative Arts and Research Projects (SCARP)

Metal-Organic Frameworks (MOFs) are materials that contain metal centers coordinated by organic molecules that form an extended, porous lattice. These MOFs are of interest in the field of sensing for their unique properties such as high stability, high surface area, high crystallinity, and ability to perform small molecule exchange. Luminescent metal-organic frameworks (LMOFs) are of specific interest since they contain the potential to detect odorless volatile organic compounds (VOCs) via adsorption into the porous framework. Luminescent properties can be imparted to MOFs in several ways. This project focused on the inclusion of a luminescent osmium complex into the MOF scaffold. …

Computational Analysis Beyond The Monomer Frontier Orbitals For Photovoltaic Donor-Polymer Candidates, Mitchell E. Lahm, Megan M. Niblock, John M. Migliore, Kendra M. Mckenzie, Hans P. Lüthi, Rollin A. King

Chemistry Faculty Publications

Scharber et al. proposed an efficiency model for organic photovoltaic cells based on the orbital energies of the monomers of the donor- and acceptor- polymers [Advanced Materials 18 (2006) 789–794]. We report theoretical extensions of this approach. First, the frontier-orbital energies and electronic spectra of n-length oligomers (n = 1 − 5) of 3-butylthiophene have been determined. The results show reasonable convergence with respect to system size at the point of a trimer with alkyl end caps. The HOMO-LUMO gap well matches computed excitation energies. Second, the structures and electronic spectra of dimers formed by three different monomers, with various …

In Depth Characterisation Of The Biomolecular Coronas Of Polymer Coated Inorganic Nanoparticles With Differential Centrifugal Sedimentation, André Perez-Potti, Hender Lopez, Beatriz Pelaz, Abuelmagd Abdelmonem, Mahmoud G. Soliman, Ingmar Schoen, Philip M. Kelly, Kenneth A. Dawson, Wolfgang J. Parak, Zeljka Krpetic, Marco P. Monopoli

Articles

Advances in nanofabrication methods have enabled the tailoring of new strategies towards the controlled production of nanoparticles with attractive applications in healthcare. In many cases, their characterisation remains a big challenge, particularly for small-sized functional nanoparticles of 5 nm diameter or smaller, where current particle sizing techniques struggle to provide the required sensitivity and accuracy. There is a clear need for the development of new reliable characterisation approaches for the physico-chemical characterisation of nanoparticles with significant accuracy, particularly for the analysis of the particles in the presence of complex biological fluids. Herein, we show that the Differential Centrifugal Sedimentation can …

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

Honors Scholars Collaborative Projects

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 …

Adaptation Of Pt-Dna Binding Experiments Into A Multiweek Upperlevel Biochemistry Laboratory Activity, Keira Naff

Fall Showcase for Research and Creative Inquiry

Platinum-based drugs are commonly used as anti-cancer therapeutics due to their abilities to bind to DNA and prohibit proliferation in cells. Although the concept of drug interactions within biomolecules is often introduced in undergraduate courses such as biochemistry and toxicology, there are very few laboratory activities that exist that provide undergraduate students with the opportunity to investigate this topic in the lab. During the Summer 2020 PRISM program, we worked to create a multi-week laboratory activity for upper-level biochemistry students focused on the investigation of the DNA binding abilities of common Pt anticancer therapeutics through biochemical modeling and wet laboratory …

Iron Speciation In Pm2.5 From Urban, Agriculture, And Mixed Environments In Colorado, Usa, Joseph R. Salazar, David J. Pfotenhauer, Frank Leresche, Fernando L. Rosario-Ortiz, Michael P. Hannigan, Sirine C. Fakra, Brian Majestic

Chemistry and Biochemistry: Faculty Scholarship

Atmospheric iron solubility varies depending on whether the particles are collected in rural or urban areas, with urban areas showing increased iron solubility. In this study, we investigate if the iron species present in different environments affects its ultimate solubility. Field data are presented from the Platte River Air Pollution and Photochemistry Experiment (PRAPPE), aimed at understanding the interactions between organic carbon and trace elements in atmospheric particulate matter (PM). 24-hr PM2.5 samples were collected during the summer and winter (2016–2017), at three different sites on the Eastern Colorado plains: an urban, agricultural, and a mixed site. Downtown Denver had …

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

Annual Student Research Poster Session

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 …

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

Annual Student Research Poster Session

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

Annual Student Research Poster Session

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

Annual Student Research Poster Session

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

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

Annual Student Research Poster Session

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 …

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.

Dipicolinamide Ligands And Analogs For Lanthanides (Ln), Actinides (An) And Mercury (Hg) For Application To Nuclear Fuel Cycle Separations And Waste Management, Ingrid Lehman-Andino

FIU Electronic Theses and Dissertations

Spent nuclear fuel (SNF) – or used nuclear fuel (UNF) – contains long-lived minor actinides such as ²⁴¹Am, ²⁴⁵Cm, and ²³⁷Np, together with fission products that include lanthanides. Minor actinides are responsible for much of the radiotoxicity and heat generation that limits the capacity of geological repositories. Thus, removing minor actinides from UNF can reduce storage time required for decay to natural levels of activity by several orders of magnitude. Actinide(An)/Lanthanide(Ln) separation processes via solvent extraction by selective complexation with organic or aqueous ligands have to overcome difficulties due to similarities in their ionic radii for the …

Towards The Development Of Low-Cost And Easily-Deployable Sensing Platforms For Phosphate, Maureen Pontarelli, Thomas Koch

Chemistry & Biochemistry Student Scholarship

Maureen Pontarelli ’20
Major: Chemistry

Thomas Koch '20
Major: Biochemistry

Faculty Mentor: Dr. John Breen, Chemistry and Biochemistry

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 …