Chemistry Commons^™

Synthesis, Characterization And Biologcal Evaluation Of Safranal-Loaded Metalorganic Framework Nanostructures, Alia Musabbeh Alkaabi

Thesis/ Dissertation Defenses

Liver cancer remains a primary worldwide health concern, necessitating the development of innovative and effective treatment options. In this study, we present a biocompatible iron-based metal-organic framework (Fe-MOF) consisting of iron ligands connected by terephthalate linkers loaded with safranal, a natural biomolecule extracted from stigmas of Crocus Sativus flower (also known as saffron), a therapeutic intervention with dual efficiency. This compound not only meets the demand for improved liver cancer therapies but also exhibits antibacterial properties against Escherichia coli and Lactobacillus. The synthesis stage of the study focuses on preparing MIL-88B(Fe) and loading safranal into/onto its structure. The material's composition …

Theoretical And Computational Astrochemistry: A Variational Quantum Monte Carlo (Vqmc) Study Of The Trihydrogen Molecule Cation (H3 + ), Ahmed Saeed Alsaed

Thesis/ Dissertation Defenses

H3 + is the simplest three-center two-electron molecule and it is of much interest in astrochemistry due to its high occurrence in the outer space, high reactivity, and strong acidic properties. In addition, H3 + is involved in many chemical reactions in the interstellar medium (ISM) and its significant ability to absorb energy contributed to the cooling of the universe during its early stages. The main objective of this thesis is to approximate the ground state electronic energy of H3 + by using a simple trial wavefunction consisting of a doubly occupied molecular orbital multiplied by a Jastrow factor. The …

Cpm-8 Europa Unveiled: A Multi-Wavelength Analysis, Trinity A. Ward, Michelle Deady

SC Upstate Research Symposium

This study is an analysis of the compositional structure of Jupiter’s icy moon, Europa, by utilizing multi-wavelength spectroscopy. The objective of this study is to enhance our understanding of Europa’s compositional and potential biological characteristics.

Spectral data was obtained from various space missions and instruments. We are looking at imaging and spectroscopy-focused instruments RALPH, LORRI, LEISA, ALICE, and MVIC which were all part of the New Horizons spacecraft that launched in 2006. The data collected was from the Jupiter fly-by in February-March 2007.

This project sets the tone for the year with the upcoming Europa Clipper mission by NASA, set …

Hgs-3 The Influence Of A Tandem Cycling Program In The Community On Physical And Functional Health, Therapeutic Bonds, And Quality Of Life For Individuals And Care Partners Coping With Parkinson’S Disease, Leila Djerdjour, Jennifer L. Trilk

SC Upstate Research Symposium

Purpose Statement: Several studies have shown that aerobic exercise can have a positive impact on alleviating symptoms experienced by individuals with Parkinson's disease (PD). Despite this evidence, the potential benefits of exercise for both PD patients and their care partners (PD dyad) remain unexplored. This research project investigates the effectiveness, therapeutic collaborations, and physical outcomes of a virtual reality (VR) tandem cycling program specifically designed for PD dyads.

Methods: Following approval from the Prisma Health Institutional Review Board, individuals with PD were identified and screened by clinical neurologists. The pre-testing measures for PD dyads (N=9) included emotional and cognitive status …

Influence Of Nanoparticle Chemical Composition On In Situ Hydrogel Friction, Connor Bovia, Griffin Gleeson, Lauren Buckley, Brianna Couturier, Morgan Platz

23rd Annual A. Paul and Carol C. Schaap Celebration of Undergraduate Research and Creative Activity (2024)

The prevalence of osteoarthritis, alongside the associated pain and limited mobility, has resulted in numerous treatment strategies including the use of nanoparticles as drug-delivery systems in joints. However, the concerted mechanical-chemical effects from joint sliding in the presence of nanoparticle additives are not well understood. This work aims to understand chemically controlled sliding behavior of a soft material like cartilage in the presence of nanoparticles. To mimic cartilage-like features, well-studied polyacrylamide hydrogels were used as a model platform. Focusing on the interactions between nanoparticles that might be used for drug delivery and the hydrogel surfaces, in situ sliding tests were …

The Breaking Of Carbon-Carbon Bonds In Alkyl Ketones, Jenna R. Mustapha, Jordan K. Montgomery, Karen M. Nimtz, Ainsley G. Vandenbrink

23rd Annual A. Paul and Carol C. Schaap Celebration of Undergraduate Research and Creative Activity (2024)

The breaking of carbon-carbon bonds holds great promise for organic chemistry synthesis. This project specifically looks at using a rhodium catalyst to perform a decarbonylation. The focus is to observe the outcome of a variety of different alkyl groups attached to ketones as they undergo decarbonylation reactions. Depending on the alkyl ketone, the reaction can proceed via direct decarbonylation and/or beta-hydride elimination. The goal of this project includes controlling the selectivity of these reactions for the desired product and expanding the library of successful ketones containing alkyl groups used for the reactions.

Role Of Intermolecular Interactions Between Nanoparticle Capping Ligands And Hydrogel Surfaces During Sliding, Lauren Buckley, Connor Bovia, Griffin Gleeson

23rd Annual A. Paul and Carol C. Schaap Celebration of Undergraduate Research and Creative Activity (2024)

Modern treatments for osteoarthritis increasingly involve the use of nanoparticles as drugdelivery systems, but there is little known about the influence of nanoparticle chemical composition and surface chemistry between nanoparticles and soft materials in sliding contact. This work implements cartilage-mimicking polyacrylamide (PAM) hydrogels as a well-studied, fundamental platform. In situ (in a fluid environment) macroscale friction tests as a function of shear rate were conducted with a rheometer with a tribology adapter, controlling for contact pressure. Comparing different nanoparticle compositions, citrate capped metal (gold) nanoparticles exhibited a 50% increase in friction relative to water. With no difference in solution viscosity, …

The Synthesis And Electropolymerization Of Porphyrin-Substituted Ethylenedioxythiophene (Edot) Monomers, Benjamin D. Mcintyre, Joshua A. Hawkins, Kenneth L. Brown

23rd Annual A. Paul and Carol C. Schaap Celebration of Undergraduate Research and Creative Activity (2024)

Two electroactive monomers were synthesized for use in forming redox-active films on electrodes. Such electroactive films are useful as redox mediating coatings in the functionalization of electrodes for sensor applications. Tetraphenylporphyrins were coupled to 3,4-ethylenedioxythiophene (EDOT) using different connector lengths and then metallated with iron to form monomers capable of electropolymerization. Hydroxymethyl EDOT was tosylated and then reacted with 4-hydroxybenzaldehyde in a Williamson ether synthesis to give an EDOT-functionalized aldehyde. This aldehyde was condensed with pyrrole under acidic conditions to form a novel EDOT-substituted porphyrin. The second porphyrin monomer was prepared similarly with a four carbon chain connector inserted between …

Exploring The Effectiveness Of Directing Groups For Rhodium-Catalyzed Decarbonylation, Bryan J. Forrest, Isabelle M. Klanseck, Jazmin E. Aguilar-Romero, Mary G. Kapitula

23rd Annual A. Paul and Carol C. Schaap Celebration of Undergraduate Research and Creative Activity (2024)

Reactions involving carbon-carbon bond activation are of interest to develop methods of functionalizing molecules. Work in the Johnson Group utilizes rhodium-catalyzed decarbonylation to form new carbon-carbon bonds in pyridyl ketones, where the nitrogen on the pyridine ring acts as a directing group. Though this reaction is easily replicated and gives high yields, the need for a pyridine directing group limits the range of molecules that can be synthesized. To broaden the scope of this reaction, novel directing group compounds were synthesized through different routes and their efficacy in the decarbonylation reaction was explored.

Mechanochemical Formation Of Polyacrylamide Nanocomposites: Impact Of Nanoparticle Surface Chemistry And Substrate Functionalization, Bryn Couturier, Lauren Buckley, Connor Bovia

23rd Annual A. Paul and Carol C. Schaap Celebration of Undergraduate Research and Creative Activity (2024)

Osteoarthritis is a degenerative joint condition, with treatments currently limited to symptom management and invasive surgical procedures. This project investigates the fundamental mechanisms for a potential treatment route that would allow soft material nanocomposites to form within the joint through mechanochemical reactions. To gain fundamental insight into the different chemical pathways for this to occur, this work compares a top-down vs bottom-up approach. The top-down method focuses on the influence of applied oscillatory mechanical stresses on bulk hydrogel polymerization. Polyacrylamide (PAM) is used as a well-studied control system. PAM-nanocomposites were achieved through co-polymerization, with gold nanoparticles with different capping ligands …

Expanding The Use Of Palladium-Catalyzed Beta-Aryl Elimination Reactions, Anna G. Tyshka, Tyler J. King, Lucas D. Day, Timothy R. Welsh

23rd Annual A. Paul and Carol C. Schaap Celebration of Undergraduate Research and Creative Activity (2024)

Transition metal-catalyzed cross-coupling reactions involving organic boronic acids are ubiquitous throughout organic synthesis. Despite the popularity of these methods, some boronic acids, such as those with 2-heteroaryl, 2-fluoroaryl, and cyclopropyl substituents, are incompatible, as these species decompose via protodeboronation prior to their incorporation into the desired reaction. To circumvent the protodeboronation process, the organometallic intermediates typically generated via catalyst transmetallation with a boronic acid can instead be generated via β-carbon elimination Efforts will focus on solving the so-called "2-pyridyl problem" and broadening the scope of known coupling partners in a Suzuki-like reaction, then systematically expand to include other palladium- and …

Structure Of Native Four-Repeat Satellite Iii Sequence With Non-Canonical Base Interactions, Erin Chen , '23, M. Trajkovski, Hyun Kyung Lee , '21, Samantha Nyovanie, Kailey N. Martin, W. L. Dean, M. Tahiliani, J. Plavec, Liliya A. Yatsunyk

Chemistry & Biochemistry Faculty Works

Tandem-repetitive DNA (where two or more DNA bases are repeated numerous times) can adopt non-canonical secondary structures. Many of these structures are implicated in important biological processes. Human Satellite III (HSat3) is enriched for tandem repeats of the sequence ATGGA and is located in pericentromeric heterochromatin in many human chromosomes. Here, we investigate the secondary structure of the four-repeat HSat3 sequence 5′-ATGGA ATGGA ATGGA ATGGA-3′ using X-ray crystallography, NMR, and biophysical methods. Circular dichroism spectroscopy, thermal stability, native PAGE, and analytical ultracentrifugation indicate that this sequence folds into a monomolecular hairpin with non-canonical base pairing and B-DNA characteristics at concentrations …

Seeding Effects Of Submicron Caal-No3 Ldh Particles On The Hydration And Properties Of Portland Cement And Sulfoaluminate Cement Pastes, Sukanta K. Mondal, Monday Uchenna Okoronkwo

Chemical and Biochemical Engineering Faculty Research & Creative Works

Layered double hydroxide (LDH) is reported to improve the durability of concretes, primarily due to its ability to exchange anionic species, including chloride, which is implicated in corrosion-driven durability issues. However, there is no comprehensive study investigating the effect of LDH on the properties of different cement systems at both early and mature ages. in this study, the early age and mature age properties of Portland cement (OPC) and calcium sulfoaluminate (CSA) cement pastes seeded with submicron-sized calcium aluminum-NO3 LDH (CaAl-NO3 LDH) were investigated. the effects of the 1–5%mass dosage of LDH on the hydration of both cement systems were …

Understanding The Mechanism Behind Hfip's Effect On Diastereomeric Separation Of Oligonucleotides, Ian Neidigh

Honors Theses

The goal of this research was to determine the mechanism behind 1,1,1,3,3,3-hexafluoroisopropanol's (HFIP0 ability to suppress the separation of oligonucleotide diastereomers. This was accomplished by selecting different molecules that were like HFIP but differed in specific ways such as polarity, number and type of halogen(s), alcohol group location, carbon chain length, hydrophobicity, and chao/kosmotropicity. These molecules replaced HFIP in an IPRP chromatography method to determine if splitting of the diastereomers was observed and then they would becompared to HFIP's effect. Viscosity tests were to run to acquire quantitative data to determine chao/kosmotropicity. No decisive trend among a single factor was …

Shared Genomic Segments Analysis Identifies Mhc Class I And Class Iii Molecules As Genetic Risk Factors For Juvenile Idiopathic Arthritis, Cecile N. Avery, Nicole D. Russell, Cody J. Steely, Aimee O. Hersh, John F. Bohnsack, Sampath Prahalad, Lynn B. Jorde

Markey Cancer Center Faculty Publications

Juvenile idiopathic arthritis (JIA) is a complex rheumatic disease encompassing several clinically defined subtypes of varying severity. The etiology of JIA remains largely unknown, but genome-wide association studies (GWASs) have identified up to 22 genes associated with JIA susceptibility, including a well-established association with HLA-DRB1. Continued investigation of heritable risk factors has been hindered by disease heterogeneity and low disease prevalence. In this study, we utilized shared genomic segments (SGS) analysis on whole-genome sequencing of 40 cases from 12 multi-generational pedigrees significantly enriched for JIA. Subsets of cases are connected by a common ancestor in large extended pedigrees, increasing the …

Heat's Effect On Asphalt Binders Using Nmr, Kaitlin Miles

Undergraduate Research Conference at Missouri S&T

Nuclear Magnetic Resonance (NMR) spectroscopy is a well-known analytical technique that uses the excitation of nuclear spins for solving chemical structures and conformations. Relaxometry is a special field of NMR spectroscopy where information is gained about interactions of 100 nuclear spins with their molecular surroundings. The deterioration of asphalt is a major infrastructure problem, and its rejuvenation back toward its original virgin state is an important field of research and development. The current asphalt industry relies on visual inspection on site and invasive or destructive physical methods to assess emerging asphalt failures. This study examines the chemical changes environmental factors …

Effect Of Heat On Virgin And Uv-Aged Asphalt Binders Determined By Nuclear Magnetic Resonance Relaxometry, Kaitlin Miles

Undergraduate Research Conference at Missouri S&T

Nuclear Magnetic Resonance (NMR) spectroscopy is a well-known analytical technique that uses the excitation of nuclear spins for solving chemical structures and conformations. Relaxometry is a special field of NMR spectroscopy where information is gained about interactions of nuclear spins with their molecular surroundings. The deterioration of asphalt is a major infrastructure problem, and its rejuvenation back toward its original virgin state is an important field of research and development. The current asphalt industry relies on visual inspection on site and invasive or destructive physical methods to assess emerging asphalt failures. This study examines the chemical changes environmental factors have …

The Search For The Akwamu People In The Americas, 1729-1733, Ben Brown, Justin Pope

Undergraduate Research Conference at Missouri S&T

This Poster presentation attempts to trace the journey of one nation of Africans into the Americas. In 1729, the Akwamu Empire, in modern day Ghana, West Africa, suffered a terrible collapse. Rival African armies enslaved thousands of Akwamu subjects and sold them to European slavers on the Gold Coast. This nation later led the biggest island wide slave revolt prior to the age of revolution in the Americas. Using primary and secondary resources such as the "Transatlantic Slave Trade Database," we will attempt to identify the European slave ships that purchased enslaved Akwamu people and trace their journey into the …

Quantifying Asphalt Binder Uv Effects With Relaxometry, Rosalee Brown

Undergraduate Research Conference at Missouri S&T

Asphalt deterioration involves many physical and chemical changes caused by environmental factors such as automotive strain, extreme heat, and UV exposure. Asphalt binder assessment in the industry is currently based on structurally destructive testing methods and tests of physical performance without accounting for chemical structure. An emerging evaluation of asphalt binder uses relaxometry, a field of nuclear magnetic resonance (NMR) spectroscopy, to directly observe how asphalt binder is changed by causes of deterioration such as UV exposure. NMR relaxometry explores nuclear spins' interactions with their environment. This noninvasive method can provide a detailed view into the chemical environment of virgin …

Development Of Colpitts Self Oscillator, Jasmin Billingsley

Undergraduate Research Conference at Missouri S&T

Topological materials can serve as promising platforms for next-generation technology. Magnetism in such systems is often a consequence of emergent quantum phenomena, and the traditional framework is insufficient to fully describe their magnetic properties. In this project, we will perform precision magnetic measurements utilizing the Colpitts self-oscillator to determine the temperature- and field-dependent AC magnetic susceptibility in the topological magnetic materials. The collective knowledge learned from this proposed research would shed light on the understanding of exotic magnetism in topological materials, potentially leading to new physics of magnetism.

Development Of Colpitts Self Oscillator For Measurement Of Magnetic And Superconducting Properties, Jasmine Billingsley

Undergraduate Research Conference at Missouri S&T

Topological materials can serve as promising platforms for next-generation technology. Magnetism in such systems is often a consequence of emergent quantum phenomena, and the traditional framework is insufficient to fully describe their magnetic properties. In this project, we will perform precision magnetic measurements utilizing the Colpitts self-oscillator to determine the temperature- and field-dependent AC magnetic susceptibility in the topological magnetic materials. The collective knowledge learned from this proposed research would shed light on the understanding of exotic magnetism in topological materials, potentially leading to new physics of magnetism.

Iron Doped Zeolitic Materials For Propane Dehydrogenation Catalyst, Emily Cahill, Amitava Choudhury

Undergraduate Research Conference at Missouri S&T

This research describes the synthesis of iron-doped zeolitic catalysts for the transformation of propane to propylene. The goal of this research is to develop a dehydrogenation catalyst to convert shale-gas derived cheap propane feedstock to economically valuable propylene, while at the same time making this catalyst sustainable and non-toxic to the environment. Fedoped zeolitic frameworks have shown promising activity in percentage of conversion and in selectivity. In our study we analyzed zeolites ZSM-5 and AIP0-5. These were chosen because they have differences in pore structure , channel sizes, and connectivity between channels. Most importantly the differences in the chemistry as …

Cytokinesis And Dbf2, Katharine Gray, Katie Shannon

Undergraduate Research Conference at Missouri S&T

During cell division, the cytoplasm must be divided between the parent and daughter cell. The Mitotic Exit Network (MEN) is a signaling pathway that allows a dividing cell to exit mitosis and complete cytokinesis. Obf2 is a MEN protein kinase in yeast, which provides a simplified model for studying this conserved pathway. By regulating Dbf2s' activity through phosphorylation mutants, its effect on cytokinesis can be studied. Cells were viewed under a microscope, to visualize division errors. Yeast cells that fail to complete cytokinesis will form chains, as the budding daughter cells fail to separate from their parents. Chains of 3 …

Laser Ablation Pulsing On A Cp-Ftmw, Harrison Hawxby

Undergraduate Research Conference at Missouri S&T

The goal of this research is to study metal containing molecules in the gas phase for structural determination. In order to do this, a metal rod that is turning on a 12V motor is struck by a Nd:YAG laser. Rotational spectra were recorded on a chirped-pulse Fourier transform microwave spectrometer (CP-FTMW) with laser ablation sourcing. Along the way, maintenance on the setup was required, new code was written to accommodate for new problems, as well as production and parametrization of the gas to optimize signal.

Effect Of Morphology As A Function Of The K-Index On The Drug Loading And Release Profiles In Polyurea And Poly(Isocyanurate-Urethane) Aerogels, Kamden J. George, Stephen Y. Owusu, Chariklia Sotiriou-Leventis

Undergraduate Research Conference at Missouri S&T

This study explores the potential to predict the drug loading and release profiles of aerogels based on their morphologies: a milestone in drug delivery research which can help save time and cost invested in formulating new aerogel drug carriers and cut-down evaluation of the drug delivery capabilities of aerogels to a few experimental runs. Polyurea (PUA) and poly (isocyanurate-urethane) (PIR-PUR) aerogels were used as model systems while 5-fluorouracil (5-FU) and paracetamol (PM) were used as model drugs. These model systems were chosen because they can be synthesized into different morphologies identified by the so-called K-index (contact angle:porosity). The model drugs …

Killing Cancer: Manipulating Hydrophobic Vanadium Complexes To Improve Anti-Cancer Activity, Levi Ausherman, Debbie C. Crans, Peter A. Lay, Maggi Braasch-Turi

SACAD: Scholarly Activities

Hydrophobic vanadium complexes have recently shown improved anti-cancer activities compared to cisplatin. The hydrophobicity and anti-proliferative activity of [VO(Hshed)(dtb)] ([Hshed= N-(salicylideneaminato)-N’-(2-hydroxyethyl)-1,2-ethanediamine and dtb= 3,5-di(tert-butyl)catechol)]) have inspired the development of a library of hydrophobic vanadium complexes. Increasing the steric bulk of the catechol ligand has been shown to have a direct impact on hydrophobicity and anti-proliferative activities. Currently at Fort Hays State University, the Braasch-Turi group is synthesizing VO(HSHED)(dtb) to build up material to support the chemical analysis and biological assay performed by our collaborators at Colorado State University and the University of Sydney, Australia, respectively. In the future, we plan …

Investigation Of Temporal Variation In Sediment Deposition Within The Tropical Wouri Estuary Cameroon Using Fourier Transform Infrared Spectroscopy, Olumide Ajulo, Dr. Henry Agbogun, Dr. Hendratta Ali

SACAD: Scholarly Activities

In this study, Fourier Transform Infrared Spectroscopy (FTIR) was employed to qualitatively analyze organic and mineral components of the sediment core collected from the Wouri Estuary. The FTIR spectra revealed distinct transmittance corresponding to different organic and mineral phases, allowing for the characterization of sediment composition. The FTIR spectra showed changes and variation progressively from the bottom to the top. These sediments are proxies for time this can be inferred to say deposition in the Wouri Estuary has always changed.

Ultrasoft Platelet-Like Particles Stop Bleeding In Rodent And Porcine Models Of Trauma, Kimberly Nellenbach, Emily Mihalko, Seema Nandi, Drew W. Koch, Jagathpala Shetty, Leandra Moretti, Jennifer Sollinger, Nina Moiseiwitsch, Ana Sheridan, Sanika Pandit, Maureane Hoffman, Lauren V. Schnabel, L. Andrew Lyon, Thomas H. Barker, Ashley C. Brown

Engineering Faculty Articles and Research

Uncontrolled bleeding after trauma represents a substantial clinical problem. The current standard of care to treat bleeding after trauma is transfusion of blood products including platelets; however, donated platelets have a short shelf life, are in limited supply, and carry immunogenicity and contamination risks. Consequently, there is a critical need to develop hemostatic platelet alternatives. To this end, we developed synthetic platelet-like particles (PLPs), formulated by functionalizing highly deformable microgel particles composed of ultralow cross-linked poly (N-isopropylacrylamide) with fibrin-binding ligands. The fibrin-binding ligand was designed to target to wound sites, and the cross-linking of fibrin polymers was designed …

Unlocking Nature’S Code: Design Principles For Cooperativity In Multi-Electron Redox Processes, Mariona Garcia Dalmases, Alexis Telford, Courtney Young

Undergraduate Research Conference

No abstract provided.

An Undergraduate Laboratory Module Integrating Organic Chemistry And Polymer Science, Arya Patel, Michael Arik, Amrita Sarkar

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Polymer science is receiving wider acceptance in the organic chemistry community; thus, it is imperative to include it in the undergraduate organic chemistry curriculum. Despite the ever-increasing popularity of the topic of polymer chemistry in undergraduate curricula, a comprehensive laboratory experiment module describing a polypeptide synthesis by ring-opening polymerization of N-carboxyanhydride (NCA ROP) and a homopolymer synthesis by activators-regenerated by electron-transfer for atom transfer radical polymerization (ARGET ATRP) has yet to be proposed. Herein, we report a semester-long, ten week undergraduate laboratory module focusing on the synthesis and analytical characterization of polyalanine and polystyrene for an advanced organic chemistry class. …