Physical Sciences and Mathematics Commons^™

Methods For Increasing The Electron Richness Of Iron Tricarbonyl Diimine Complexes, Francesca Lombardi, Joseph Maher, Sean Peloquin

Chemistry & Biochemistry Student Scholarship

Francesca Lombardi ’24, Major: Chemistry

Joseph Maher ’25, Major: Chemistry

Sean Peloquin ’26, Major: Biochemistry

Faculty Mentor: Dr. Maria Carroll, Chemistry and Biochemistry

The goal of our research is to synthesize new iron complexes that can reduce carbon dioxide. Increasing the electron richness of iron tricarbonyl diimine complexes, which have been synthesized previously in the Carroll research group, will increase the likelihood of a reaction with carbon dioxide occurring. We have taken two approaches to changing the electron density in the complexes. First, we reacted the complex Fe((CF3)2ArDABMe)(CO)¬3 with the reducing agent potassium on graphite, in order to reduce either …

Magnetic Slime, Admin Stem For Success

STEM for Success Showcase

Students learn chemistry and physics by making magnetic slime.

Invisible Ink, Admin Stem For Success

STEM for Success Showcase

Students create invisible ink to hide and reveal a message using chemistry.

Kinetic Analysis Of Glu115ala Cytosolic Human Malate Dehydrogenase Mutation Shows A Change In Activity On Non-Native Substrate Phenylpyruvate, Kailey Paar

Chemistry & Biochemistry Student Scholarship

The cytosolic human enzyme, malate dehydrogenase (MDH1), is believed to have a significant effect on the proliferation of cancerous cells. This enzyme oxidizes NADH to NAD+ as it converts oxaloacetate (OAA) to malate. This oxidation of NADH provides the needed NAD+ to cancer cells, which require NAD+ as they upregulate glycolysis in aerobic conditions. Targeting MDH1 can reveal new therapeutic treatments for cancer by preventing the conversion of OAA to malate and depleting NAD+ stores in cancer cells, which can be done by mutating residues in the enzyme and assessing the change in activity. Here we show the replacement of …

Sugar Water Density Activity, Admin Stem For Success

STEM for Success Showcase

In this activity students learn about density using sugar water. Attached is the activity's lesson plan and a teacher reflection on the activity.

Physical And Chemical Changes Lesson Plan, Admin Stem For Success

STEM for Success Showcase

Lesson plan and video for an activity on the difference between physical and chemical changes.

The Science Of Baking Bread, Admin Stem For Success

STEM for Success Showcase

Activity plan to teach biology and chemistry using a lesson on the baking of bread.

Microscale Chemical Manipulation And Imaging Using Photoactive Molecules And Light, Uroob Haris

Chemistry Theses and Dissertations

Chemical manipulation with light has been an active and growing area of research with important implications in materials science, biotechnology, and environmental science. From early investigations of light sensitive materials for photography in the 19^th century, to printing billions of transistors on a semiconductor chip in present day, scientists have gained a deep understanding of photochemistry and the processes that allow us to harness light for everyday applications. In this work, we explore microscale fabrication and molecular imaging using light and photoactive molecules as foundational tools. We develop a visible-light mediated technique for high resolution microscale chemical lithography comprising …

Modeling Excited State Processes In Molecular Aggregates By Constructing An Adaptive Basis For The Hierarchy Of Pure States, Leonel Varvelo

Chemistry Theses and Dissertations

Simulating excitation energy transfer (EET) in molecular materials is of crucial importance for the development of and understanding of materials such as organic photovoltaics and photosynthetic systems and further development of novel materials. The Hierarchy of Pure States (HOPS) is an exact framework for the time evolution of an open quantum system in which a hierarchy of stochastic wave functions are propagated in time. The adaptive HOPS (adHOPS) method achieves size-invariant scaling with the number of simulated molecules for sufficiently large aggregates by using an adaptive basis that moves with the excitation through the material. To demonstrate the power of …

Exploring Protein Conformations And Functions Through Molecular Dynamics Simulations And Machine Learning, Hao Tian

Chemistry Theses and Dissertations

Proteins are essential biomacromolecules that perform a variety of critical functions in living organisms. The tertiary structure of a protein plays a crucial role in its biological activity as it determines how the protein interacts with other molecules. Consequently, understanding protein conformation and function is an important area of research with implications in medicine, biotechnology, and other fields.

The first part of this dissertation focuses on protein allostery, a process by which proteins transmit perturbations caused by binding at one site to a distal site, thereby regulating activity. With the development of computational methods like molecular dynamics simulations and machine …

Damped Oscillating Phosphoryl Transfer Reaction In The Cyanobacterial Circadian Clock, Hye In Jang, Pyonghwa Kim, Yongick Kim

Chemistry Faculty Research

Most organisms have circadian clocks to ensure the metabolic cycle to resonate with the rhythmic environmental changes without “damping,” or losing robustness. Cyanobacteria is the oldest and simplest form of life that is known to harbor this biological intricacy. Its KaiABC-based central oscillator proteins can be reconstituted inside a test tube, and the post-translational modification cycle occurs with 24 h periodicity. KaiC’s two major phosphorylation sites, Ser-431 and Thr-432, become phosphorylated and dephosphorylated by interacting with KaiA and KaiB, respectively. Here, we mutate Thr-432 into Ser to find the oscillatory phosphoryl transfer reaction damps. Previously, this mutant KaiC was reported …

The Concentration Of Heavy Metals In Lincoln Nebraska's Tap Water, Evan Neuhaus

Honors Theses

Heavy metals are commonplace in nature, and are typically found in scarce quantities in all drinking sources. However, in high enough concentrations, they can have a myriad of negative health effects. This study seeks to find the concentrations of such metals in the Lincoln water supply utilizing the resources of the Water Center at the University of Nebraska at Lincoln. To test for discrete concentrations of trace elements, a method of using Inductively Coupled Plasma Mass Spectrometry (ICP-MS) was implemented. ICP-MS uses plasma to ionize and atomize a sample which is then filtered into a series of cones into a …

Principles Of Chemistry-1, Rajnish Singh

KSU Distinguished Course Repository

Principles of Chemistry, chem 1211, is a 3 credit hour course, the first in a two-semester sequence covering the fundamental principles and applications of chemistry for science majors. Course content includes electronic structure of atoms and molecules, bonding fundamentals, fundamentals of chemical reactions, and gas laws. The course is taught asynchronously and the final exam being a national exam offered by the American chemical society, (ACS), that has to be taken in person.

Geothermal Energy And Its Impacts On The Environment, Aditi Gorthy, Nathan Tran, Laureen Pierre-Louis

Mako: NSU Undergraduate Student Journal

From the multitude of energy sources that we have developed throughout the eons, renewable energy or “clean energy” has been on the rise to combat global warming and climate change which burning nonrenewable sources of energy have contributed to. Before geothermal energy is used as part of the mainstream energy sources some aspects must be analyzed and resolved. Unfortunately, geothermal power plants still release pollutants, such as carbon dioxide and sulfur dioxide, into the environment and cause general environmental disruptions due to drilling and changes in land formations. Recent and future studies have been and should be conducted to find …

Synthesis Of New Ligand-Based Phosphazo Ring And Its Transition Metal Complexes As Cancer Inhibitor: Spectroscopic, Dft, Antimicrobial, And Molecular Docking Investigations, Asmaa A. Hamed, Ahmed A. El-Sherif, Carmen M. Sharaby, Yousry A. Ammar, Mona F. Amine

Al-Azhar Bulletin of Science

A condensation between 2-sulfanilamidopyrimidine and a p-toluidine dimer of cyclodiazadiphosphetidine resulted in the formation of a new ligand, 2,2,4,4-tetrachloro-1,3-di-[p-tolyl]-2,4-di-[N-(pyrimidin-2-yl) benzenesulfonamide]-1,3,2,4-diazadiphosphetidine, (H2L). We investigated the chemical behavior of the newly prepared ligand was investigated by treating it with some chosen metal ions at a stoichiometric ratio of 1:2 (L:M), where M = Fe(III), Fe(II), Cu(II), Zn(II), Cd(II), and Ag(I), to provide colored complexes with accepted yields. Then, we characterized the ligand and related complexes using spectroscopic and analytical techniques. Investigations revealed that the geometrical structure of the complexes was octahedral, except for the silver complex was tetrahedral. From the spectral analyses, …

Lets Make Rock Candy!, Admin Stem For Success

STEM for Success Showcase

• Students should…

• be familiar with terms such as solubility, solute, solvent, and supersaturated solution.

• have a basic understanding of crystallization.

• understand the concept of delayed gratification and how they can practice this skill in their everyday lives to make smart financial decisions.

Reduced Metal Nanocatalysts For Selective Electrochemical Hydrogenation Of Biomass-Derived 5-(Hydroxymethyl)Furfural To 2, 5-Bis(Hydroxymethyl)Furan In Ambient Conditions, Baleeswaraiah Muchharla, Moumita Dikshit, Ujjwal Pokharel, Ravindranath Garimella, Adetayo Adedeji, Kapil Kumar, Wei Cao, Hani Elsayed-Ali, Kishor Kumar Sadasivuni, Naif Abdullah Al-Dhabi, Sandeep Kumar, Bijandra Kumar

Chemistry & Biochemistry Faculty Publications

Selective electrochemical hydrogenation (ECH) of biomass-derived unsaturated organic molecules has enormous potential for sustainable chemical production. However, an efficient catalyst is essential to perform an ECH reaction consisting of superior product selectivity and a higher conversion rate. Here, we examined the ECH performance of reduced metal nanostructures i.e., reduced Ag (rAg) and reduced copper (rCu) prepared via electrochemical or thermal oxidation and electrochemical reduction process, respectively. Surface morphological analysis suggests formation of nanocoral and entangled nanowire structure formation for rAg and rCu catalysts. rCu exhibits slight enhancement in ECH reaction performance in comparison to the pristine Cu. However, the rAg …

Green Synthesis Of Nanoparticles And Their Utilization In Electrochemical Detection Of Catechol- Or Phenol-Based Substances, Daniel Laurence Myers Iii

Browse all Theses and Dissertations

PART A: GREEN SYNTHESIS OF COPPER NANOPARTICLES AND THEIR UTILIZATION IN THE DETECTION OF NEUROTRANSMITTERS Neurotransmitters, such as dopamine and epinephrine, are chemicals frequently found in the brain and are responsible for a number of human moods, needs, and emotions.1, 2 Detection of such neurotransmitters allows for a better judgement of a person’s physical and mental state, a utility that is vital in determining the presence of disease and mental illnesses.2 Electrochemical detectors used for such detections are often modified by materials such as metal nanoparticles.3 However, synthesizing nanoparticles can involve or produce chemicals, ammonium hydroxide among them, that are …

Novel Technique In Production Of Pb (Ii)- Imprinted Polymers, Ehab Mohammed, Mostafa M. Elsheikh, Adham A. El-Zomrawy, Farag A. Ahmed

Al-Azhar Bulletin of Science

Ion imprinting techniques were used to produce ion imprinted polymer (IIP) particles for the selective removal of Pb2+ from aqueous environments. As the Templating monomers, acrylic acid, acrylic amine ligand, and Methylene Bisacrylamide crosslinker were chosen. The imprinted polymer was prepared by free radical polymerization. By leaching with 0.1 M HCl, the (Pb2+) ion was removed from the template. The polymer particles were characterized by IR spectroscopy, Thermal analysis and potentiometric analysis. The produced polymer was mechanically crushed into fine particles, assembled into a sensor probe, and linked to a bare HB graphite pencil electrode (GPE). The sensor has a …

Enhanced Adsorption Of Anionic Dyes Using Sr-Doped Zno Nanoparticles: Nonlinear Kinetics And Isotherm Studies, Mostafa H. Mohamed, Taha M. Elmorsi, H. M. Abdelbary

Al-Azhar Bulletin of Science

Using a co-precipitation process, sr-doped ZnO was prepared and demonstrated to be effective in the removal of anionic congo red dye, since its surface positive charge was increased to 17.3 mV. To investigate the surface morphology and physicochemical characteristics of Sr-doped ZnO, FTIR spectroscopy, scanning electron microscopy (SEM), elemental analysis, and point of zero charges (pHPZC) were employed. We conducted batch adsorption experiments to investigate the effects of contact time (180 minutes), pH (3.5–11), adsorbent dosage (0.5–3.0 g L−1), and temperature (288–328 K). The kinetic study was modeled using several equations, including pseudo-firstorder (PFO), pseudo-second-order (PSO), Elovich, and intra-particle diffusion …

Acetylacetone Oxidation At Room Temperature: A Multiplexed Photoionization Mass Spectrometric Investigation, Study Of The Russell Intermediates In Gas Phase Reactions, And The Investigation Of Oxidation Reaction Products Of Ethanol At Room Temperature, Sara Gallarati

Master's Theses

This thesis presents the combustion study of acetyl acetone using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at 298 K. The experiments were performed at the Chemical Dynamics Beamline 9.0.2 at the Advanced Light Source of the Lawrence Berkeley National Laboratory. The reaction of acetyl acetone with chlorine (Cl) radicals was analyzed based on their photoionization spectra and reaction kinetic profiles.

Additionally, a study of the Russell intermediate has been performed. Previous to experimentation at the Advanced Light Source, computational analysis has been investigated to evaluate compounds that could possibly lead to the formation of a stable species. The …

The Chemistry And Catalytic Activity Of Dehydrogenative Silylation And Hydroboration Of Complexes Bearing Semirigid Ligands With Group 14 Elements, Niroshani S. Abeynayake

Theses and Dissertations

Incorporation of silicon in the ligand backbone would yield electron-rich metal complexes upon coordination to transition metal complexes. The coordination chemistry of semirigid benzyl phosphines bearing a single or multiple phosphorus atoms and varying number of Si−H moieties has gained interest in recent years. This dissertation focuses on synthesizing silyl and germyl transition metal complexes of groups 9 and 10. Chapter II presents the synthesis of a family of four coordinated 14-electron rhodium complexes. The newly synthesized complexes were characterized in solution by multinuclear NMR spectroscopy and in the solid-state by single-crystal X-ray diffraction. These d⁶ complexes possess sawhorse …

Soil From Footwear Is A Newly Rediscovered Type Of Forensic Evidence Due To The Application Of Modern Analytical Techniques : A Review, Rhilynn Haley Ogilvie

Legacy Theses & Dissertations (2009 - 2024)

Traces of soil discovered on a footwear were historically among the first types of evidence used by crime scene investigators. This type of evidence has been rediscovered recently due to the application of powerful analytical techniques providing quantitative characteristics of the soil (bio)chemical composition. Advanced statistical analysis of the quantitative data further improves the probative value of the soil evidence. The article overview main aspects of the emerging techniques for the forensic soil analysis and the factors that challenge data interpretation including mixing, contamination, and composition complexity. Overcoming these issues is crucial for utilizing soil analysis for forensic purposes.

Expanding The Polymer Zwitterion Library – Novel Phosphonium-Based Polymer Zwitterions And Analogous Structures, Marcel U. Brown

Doctoral Dissertations

This dissertation encompasses the synthesis, characterization and application of novel polymer zwitterions that significantly expand the library of available zwitterionic polymers. Their facile synthesis is facilitated by the preparation of a novel functional sultone precursor molecule, which can be ring-opened by commercially available phosphine, amine and sulfide nucleophiles, affording phosphonium, ammonium or sulfonium sulfonate monomers, respectively. Most notably, this work describes the invention of phosphonium-based polymer zwitterions, establishing a new class of zwitterionic polymer structures with unique solution and interfacial properties. Furthermore, the incorporation of these phosphonium sulfonates into block copolymer architectures with conventional polymer zwitterions, and the resulting switchable …

Contra-Thermodynamic Halolactonization Of Lactam-Tethered 5-Aryl-4(E)-Pentenoic Acids For The Flexible And Stereocontrolled Synthesis Of Fused Lactam-Halolactones, Timothy K. Beng, Claire Borg, Morgan J. Rodriguez

All Faculty Scholarship for the College of the Sciences

Halolactonization of alkenoic acids enables the construction of oxygen-heterocycles via intramolecular halonium-induced nucleophilic addition. Although the literature is currently inundated with halolactonizations of 5-aryl-4(E)-pentenoic acids that predictably afford the 6-endo cyclization adducts, methods that reliably alter the innate regioselectivity bias to instead deliver the thermodynamically less favored 5-exo cyclization products are relatively rare. Here, we attempt to bridge this gap and have found mild conditions for contra-thermodynamic halolactonization of lactam-tethered 5-aryl-4(E)-pentenoic acids that lead to the formation of trans-fused lactam-γ-lactones. The natural proclivity for these 5-aryl-4(E)-pentenoic acids to undergo 6-endo cyclization is overridden and 5-exo-trig cyclization predominates. The success of …

Sulfur Behavior In The 1257 Ce Samalas Magma (Lombok, Indonesia) As Revealed By Volcanic Apatite, Yasmin Jackson

Earth Sciences Theses and Dissertations

Explosive volcanic eruptions can inject massive amounts of volatiles, including SO₂ and H₂S, into the stratosphere, inducing drastic tropospheric cooling via sulfate aerosols. Greenland and Antarctic ice cores record evidence of these substantial releases of SO₂ and H₂S, including the massive release during the ultraplinian 1257 CE Samalas eruption. The 1257 CE Samalas eruption is estimated to have released ~158 Tg of SO₂, making it the largest volcanogenic release of SO₂ within the last 2000 years. Vidal et al. (2016) propose that most of this sulfur (S) was hosted in a …

Comparing Computational Methods By Stretching Diatomic Molecules, Aaron Mitchell

Undergraduate Student Research Internships Conference

A comparison of functionals was done by comparing full electron density profiles along the bond axis of H₂ and N₂. Additionally, based on the success of the (HF)-DFT method, the goal of this project was to compare the mRKS method to (HF)-DFT.

Assessment Of The Toxicity Of Legacy And Next-Generation Perfluoroalkyl Substances (Pfas) In Early-Life Stages Of Freshwater And Marine Fish, Kiflom Gebreab

FIU Electronic Theses and Dissertations

Per- and polyfluoroalkyl substances (PFASs) are a group of synthetic surfactants that have utilized for several decades in a wide range of industrial and manufacturing applications. Owing to their high chemical stability, PFAS are widespread and persistent in the environment, and have been shown to be bioaccumulative in diverse organisms including plants, wildlife, and humans. Exposure to PFASs has been linked to a range of documented toxic and/or adverse effects in relation to human and animal health. The potential environmental health and ecotoxicity of next-generation PFAS remain unclear. In the present study, toxicity, and bioconcentration potential, of several perfluoroether carboxylic …

Stereocontrolled Access To Δ-Lactone-Fused-Γ-Lactams Bearing Angular Benzylic Quaternary Stereocenters, Timothy K. Beng, Morgan J. Rodriguez, Claire Borg

All Faculty Scholarship for the College of the Sciences

C-fused γ-lactam-lactones are resident in several bioactive molecules, including anticancer agents such as omuralide. In this embodiment, we report mild conditions for the catalytic halolactonization of lactam-tethered 5-aryl-4(E)-pentenoic acids. The use of dichloromethane as the solvent and Ph₃PS as the catalyst led to predominant 6-endo-trig cyclization and furnished the trans-fused-γ-lactam-δ-lactones. The transformation is modular, regioselective, chemoselective, and diastereoselective. The γ-lactam-δ-lactones bear angular quaternary benzylic stereocenters, which is noteworthy since the presence of a quaternary carbon in bioactive small molecules often promotes an element of conformational restriction that imparts potency, selectivity, and metabolic stability. The …

Targeting Heat Shock 27 Kda Protein Induces Androgen Receptor Degradation, Yaxin Li

ETD Archive

Glioblastoma (GBM) is the most common and aggressive brain tumor, with very poor prognosis. Androgen receptor (AR) plays a significant role in the progression of GBM, and anti-androgen agents have the potential to be used for the treatment of GBM. However, AR mutation commonly happens in GBM, which makes the anti-androgen agents less effective. Heat shock 27 kDa protein (HSP27) is a well-documented chaperone protein to stabilize AR. Inhibition of HSP27 results in AR degradation regardless the mutation status of AR, which makes HSP27 a good target to abolish AR in GBM. Identified compound I ((N-(3-((2,5-dimethoxybenzyl)oxy)-4-(methylsulfonamido) phenyl)-4-methoxybenzamide) inhibits GBM cell …