Chemistry Commons^™

Technology Development And Materials Research To Enable A Sustainable D-T Fusion Energy Fuel Cycle, Brenda L. Garcia-Diaz, David Babineau, James Klein, Robert Allgood, George Larsen, Holly B. Flynn, Dale Hitchcock, Tim Krentz, Chris Dandeneau, Lucas Angelette, Robert Sindelar

Journal of the South Carolina Academy of Science

No abstract provided.

Cyanide Abundance Of Highly Aqueously Altered Cm Chondrites: Insight For Asteroid Bennu, Rachel A. Reichow

Boise State University Theses and Dissertations

Asteroids, and the meteorites that come from them, retained the composition of the early Solar System and can give us insight to the processes that lead to the origin of life. The current NASA mission, OSIRIS-REx, has returned asteroid samples from the near-Earth asteroid Bennu. This asteroid is thought to be similar in composition to highly aqueously altered meteorites including CM1 and CM1/2 meteorites. Cyanide is thought to be an important molecule for prebiotic chemistry. Simple cyanide salts would have been the most accessible form of cyanide for reactions to occur; however, they may have recombined to form different metal-cyanide …

From Metabolites To Flux: Understanding Cellular Metabolism, Cale Thornton

Boise State University Theses and Dissertations

Metabolomics is a well-established field with the first published mention of the metabolome in 1998 with numerous applications encompassing food science, microbiology, forensics, plant biology, and many others. In this thesis, I will describe how we utilized Nuclear Magnetic Resonance (NMR) spectroscopy to aid in our understanding of topics ranging from method development, biomass conversion, to food science. In the first topic, we will probe the challenges and successes in understanding how to monitor the real-time metabolism of living cells by NMR. Cells larger can ca. 0.2 μM in diameter tend to settle out of suspension within minutes. Pluronic F-127 …

Modification, Transport, And Sources Of Hydrocarbon Oxidation Products From Groundwater At Crude Oil And Diesel Spill Sites In Minnesota: Unveiling Common “Theems” Via Spectroscopy & Chromatography, Eduardo E. Turcios Valle

LSU New Orleans Theses and Dissertations

In this thesis, petroleum-contaminated groundwater from three spill-affected Minnesota sites—two contaminated with crude oil; one with diesel—is investigated to elucidate whether differences in degradation products from different parent oils exist. After spill events, parent molecules from the leaked oil seep underground and undergo microbial degradation over time, transforming into hydrocarbon oxidation products (HOPs), water-soluble contaminants that infiltrate groundwater aquifers, flowing into nearby environments and towns while exhibiting environmental persistence, toxicity to aquatic biota, and potential risks to humans that become exposed. Spectroscopic and chromatographic study of the structural themes and spatial distributions of HOPs reveals preferential degradation of aliphatic (biolabile) …

Chemical Composition, Fate, And Toxicity Of Dissolved Hydrocarbon Oxidation Products In High Latitude Aquatic Environments, Maxwell Louis Harsha

LSU New Orleans Theses and Dissertations

Oil spilled in aquatic environments undergoes abiotic and biotic oxidation processes that produce hydrocarbon oxidation products (HOPs). HOPs rapidly diffuse in the water column, persisting and readily bioavailable to aquatic organisms. Characterizing HOPs is challenging because most of the mixture resides in the unresolved complex mixture (UCM). Understanding of the formation, fate, and toxicity of HOPs in high latitude environments remains limited. This research addresses these gaps through a comprehensive experimental approach, utilizing various analytical techniques including nonvolatile dissolved organic carbon (NVDOC) analysis, ultrahigh-resolution mass spectrometry, tandem mass spectrometry, inductively coupled plasma mass spectrometry, and fluorescence excitation-emission matrix spectroscopy. Additionally, …

A Conceptual Understanding Of Concepts In Organic Chemistry, Timerra Chisham

Theses/Capstones/Creative Projects

As students continue to make the transfer into organic chemistry from general chemistry, they will have to adjust to the new type of thinking required so that they will not fall behind in understanding material and will have success in the course. For this research project, I explored which concepts taught in organic chemistry are the most difficult for students to grasp. I had two main goals for this project. The first one is the central idea that I focused on, which was to see which concepts that have been taught in Organic Chemistry 1 the students are most confident …

Selectivity Studies Of Cbds Against Cb1 And Cb2 Using Docking Approach, Brandon Villanueva Sanchez, Andy Zhong

Theses/Capstones/Creative Projects

Cannabis sativa is an herbal plant that is used for recreational and medicinal purposes. The two main components, ∆9-Tetrahydrocannabinol (THC) and Cannabidiol (CBD), are responsible for the two different uses. Both compounds have been heavily researched, with their mechanisms of action, docking site, and binding affinity and efficacy identified. Researchers have synthesized various analogs by altering the carbon side chains of THC/CBD’s molecular structures. These synthetic analogs have been created to study the structure-function relationship of different molecules to the endocannabinoid system receptors, CB1 and CB2. Here, we conduct a docking study of various THC/CBD analogs to both receptors using …

Modeling Sex-Specific Changes In Myocardial Fibrosis, Grace Martin

Chemical Engineering Undergraduate Honors Theses

Heart disease the leading cause of death for both men and women in the United States. Cardiac fibrosis, or accumulation of extracellular matrix proteins in the heart, can occur after a heart attack and increase the risk for further complications. Current treatments for heart disease do not include extracellular matrix regulators, partly due to the complicated signaling network responsible for the production of these proteins. By using a computational model of the signaling network in cardia fibroblasts, the relationship between particular molecules and downstream extracellular matrix production can be examined.

Biological sex is an important factor for cardiac health and …

Chemical Analysis Of Hemp-Infused Supplements Using High Performance Liquid Chromatography And Gas Chromatography-Mass Spectrometry, Julie A. Milbrand

Forensic Science Master's Projects

Hemp and marijuana consumption in the United States can be dated back many centuries as being an essential component of the medicinal, industrial, and recreational markets while maintaining its extremely controversial status amongst the scientific and political communities. While researchers suggest that the plant in which both hemp and marijuana are derived from, Cannabis Satvia, contains more than 600 chemicals, the vast majority of research has been conducted on cannabinoids, which account for about 60 of them. Major phytochemicals from cannabis include its psychoactive agent, tetrahydrocannabinol (THC), and non-psychoactive cannabidiol (CBD), cannabigerol (CBG), and many others. Employing the use …

Synthesis And Structure Of Curaxin Analogs, Elizabeth E. Brown

Forensic Science Master's Projects

Curaxins are small molecules that have demonstrated anti-cancer activity through the activation of p53 and inhibition of nuclear factor-kB. Curaxins interfere with DNA-histone interactions, impeding DNA repair and inducing chromatin destabilization. This leads to apoptosis through alterations in spatial genome organization and oncogene expression. The results are due to DNA binding activity. A team of researchers, including a Roswell Park Cancer Institute group, discovered these molecules. This project aims to synthesize a diverse library of novel analogs of curaxin through a modified literature protocol to enhance the chemotherapeutic potency while minimizing non-specific cytotoxicity. N-alkylation of diacetyl carbazole followed by saponification …

Design, Synthesis, And Optimization Of Allosteric Inhibitors Of Hiv-1 Integrase, Krunal H. Patel

Dissertations

The human immunodeficiency virus type 1 (HIV-1) infection remains a global health crisis, necessitating the development of innovative antiviral strategies. During the integration step, HIV-1 integrase (IN) interacts with viral DNA and the cellular cofactor LEDGF/p75 to effectively integrate the reverse transcript into the host chromatin. Recently, a novel class of antiretroviral agents called Allosteric Inhibitors of HIV-1 Integrase (ALLINI) compounds has emerged as a promising avenue in the fight against HIV-1. While originally designed to inhibit IN-LEDGF/p75 interactions, these compounds have been shown to also impact late-stage viral maturation severely through IN multimerization. Induction of IN multimerization interferes with …

Synthesis Of Thermoresponsive Poly(N-Isopropyl Acrylamide) Based Core-Shell And Hollow Shell Nanogel With Tunable Core And Shell Thickness, Mohamad Hijazi, Molla R. Islam

Student Scholar Symposium Abstracts and Posters

Nanogels have emerged as a notably safer and more effective means for drug delivery, primarily due to their adjustable drug-loading capabilities. Hollow-core nanoparticles offer some unique properties that are desirable for drug delivery applications. Initially, silica core nanoparticles were synthesized using the Stöber process at different temperatures where Tetraethoxysilane (TEOS) undergoes hydrolysis in the presence of ethanol and then a condensation reaction to form silica nanoparticles. Scanning Electron Microscopy (SEM) and Optical Microscopy (OM) analysis revealed that the size of silica core particles varied with the synthesis temperature (300 nm at 30°C to 150 at 60°C). The core silica particles …

College Of Natural Sciences Newsletter, Spring 2024, College Of Natural Sciences

College of Natural Sciences Newsletters and Reports

Page 1 Dean's Message
Page 2 New Faculty and New Club on Campus
Page 3 2024 URSCAD Awards
Page 4 Day of Scholars 2024
Page 5 SDSU's First Representation at the Association for Anatomy's 2024
Annual Conference
Page 6-7 2024 Honor's College Convocation
Page 8 Other Student Activities
Page 9 Faculty Awards
Page 10-11 Other News
Page 12 2024 Drone Day and American Association of Geographers Convention - Hawaii
Page 13 55th Annual Geography Convention
Page 14 2024 Stethoscope Ceremony
Page 15 Open PRAIRIE Data

The Synthesis And Characterization Of 9,10-Bis-(Iodoethynyl)Anthracene For 2d Molecular Crystals From Halogen-Bonding, Nehemiah Antoine

Honors Theses

Two-dimensional crystals have unique properties, giving them the potential to develop practical items such as electronics, biomedicine, and sensors. Our goal is to use chemical principles to synthesize molecules that spontaneously form 2D crystals with designed patterns and properties. For this, we will exploit directional, non-covalent interactions to determine what pattern will form in 2D. In this project halogen-bonding will be utilized: halogen-bonding is the interaction between the electrophilic region of a halogen and a nucleophilic region of a Lewis base. We are functionalizing anthracenes with iodine and nitrogen to form halogen bonds that enable the molecules to pack more …

Development Of A High-Resolution Mid-Infrared Spectroscopy Apparatus For The Study Of Methane And Other Astrochemical Molecules., S M Shah Riyadh

Electronic Theses and Dissertations

This research documents steps towards building a novel spectroscopic technique, namely, cavity-enhanced double-resonance (CEDR) spectroscopy, for investigating methane (CH₄) and other molecules with significance in astrochemistry. These efforts focus on tackling the complexities of their ro-vibrational energy levels and the inefficiencies in analyzing vibrational spectra, particularly for molecules with high symmetry and strong intramolecular interactions. In the CEDR spectroscopy, the first photon, generated by a continuous-wave optical parametric oscillator (CW-OPO) locked to a Doppler-free saturation absorption line, excites the molecule from its ground level to a selected excited ro-vibrational (rotational-vibrational) level, e.g., that of the asymmetric CH-stretch mode. …

Exploring The Potentials Of Delafossite-Coated Cotton Textiles: Photocatalytic Self-Cleaning, Uv-Blocking, Anti Microbial Activity And Hydrophobicity, Shahria Ahmed

Theses and Dissertations

Delafossite materials demonstrate multifunctional applications due to their excellent catalytic properties, which vary depending on their morphology, particle size, and synthetic method. Herein, a few novel applications of the delafossites are reported, which can be implemented in commercial, medical, and domestic settings. In present work we are presenting two different delafossite CuGaO2 and CuFeO2 nanoparticles and its composite with cotton fiber. Multifunctional cotton fabric is prepared by depositing a uniform coating layer of CuGaO2 and CuFeO2, exhibits excellent photocatalytic self-cleaning, UV blocking, and antimicrobial activity. CuGaO2 and CuFeO2 nanoparticle concentrations of 1mM and 2mM were deposited over the cotton fabric …

Magnetic Properties Of Zgnrs With Nitrogen And Fluorine Adsorbates, A Computational Study, Justin Petit

Electronic Theses and Dissertations

Imposing dimensional restrictions on graphene sheets and adding impurities can give rise to carbon nanostructures with magnetic properties. In this work, zigzag graphene nanoribbons, zGNRs, with nitrogen and fluorine adatoms are investigated for magnetic properties of interest for spin devices. Geometry optimizations were done determining which position along a zGNR electrode that N and F would favorably attach to. Edge positions were determined as the most stable attachment site. M-cell zGNR electrodes (M = 1-3) edge-functionalized by N and F adatoms were investigated with respect to their band structures and spin densities in antiferromagnetic and ferromagnetic, AFM and FM, configurations. …

Tripeptide-Assisted Gold Nanocluster Formation For Fe3+ And Cu2+ Sensing, Jonghae Youn, Peiyuan Kang, Justin Crowe, Caleb Thornsbury, Peter Kim, Zhenpeng Qin, Jiyong Lee

Chemistry Faculty Publications and Presentations

Fluorescent gold nanoclusters (AuNCs) have shown promise as metal ion sensors. Further research into surface ligands is crucial for developing sensors that are both selective and sensitive. Here, we designed simple tripeptides to form fluorescent AuNCs, capitalizing on tyrosine’s reduction capability under alkaline conditions. We investigated tyrosine’s role in both forming AuNCs and sensing metal ions. Two tripeptides, tyrosine–cysteine–tyrosine (YCY) and serine–cysteine–tyrosine (SCY), were used to form AuNCs. YCY peptides produced AuNCs with blue and red fluorescence, while SCY peptides produced blue-emitting AuNCs. The blue fluorescence of YCY- and SCY-AuNCs was selectively quenched by Fe3+ and Cu2+, whereas red-emitting YCY-AuNC …

Chm116 Principles Of Chemistry Ii Lecture Slides, Leah S. Cohen, Probal Banerjee

Open Educational Resources

This file contains the lecture slides that are used in CHM116, Principles of Chemistry II.

Relations Between Printability And Rheology In A Ceramic Paste Extrusion Process, Nicholas Durand

Open Access Theses & Dissertations

Ceramic additive manufacturing (AM) uses the same fundamentals as material extrusion (MEX) that utilizes polymers or resins for printing applications. Ceramic AM uses the same process of slicing an STL file to determine a toolpath for the printer that will facilitate material deposition to manufacture full parts; ceramic AM also provides a low-cost advantage when compared to processes that require high powered lasers for melting metal powders or heated nozzles used for dispensing thermoplastics. Despite having the similar design freedom and ability for rapid prototyping that other printing methods benefit from with the addition of low cost, ceramic AM has …

Combining Green Analytical Methods And Machine Learning To Develop Urinary Fatty Acid Models For Cancer Detection, Elizabeth Noriega Landa

Open Access Theses & Dissertations

This study aimed to explore fatty acids (FAs) as non-invasive biomarkers for prostate cancer (PCa) detection and prognosis, and their potential applications in other cancers. The objectives of this study were: 1) Develop a non-invasive urinary FAs-based model for diagnosing PCa; 2) Develop a FAs-based liquid biopsy model for non-invasive monitoring of PCa progression; 3) Investigate FAs composition in periprostatic adipose tissue (PPAT) collected from PCa positive patients; 4) Investigate the potential of urinary FAs biomarkers for diagnosing clear cell renal cell carcinoma (ccRCC) and ovarian cancer (OC).For the PCa diagnostic model, urine samples from 334 biopsy-confirmed PCa-positive and 232 …

Computational Study Of Fluorescent Molecular Probes For The Early Detection Of Alzheimer's Disease, Gabriela Elizabeth Molina Aguirre

Open Access Theses & Dissertations

Alzheimer's disease is a debilitating brain disorder that affects memory, thinking, and behavior. It is the most prevalent form of dementia and the seventh leading cause of death in the United States. As, researchers have identified biomarkers that can indicate the presence of the disease many years before the first symptoms appear, so there is an opportunity for early detection and treatment follow-ups, which could significantly improve the quality of life for those affected by this disease.This dissertation investigates the relationship between molecular structure and optical properties of donor-bridge-acceptor (DBA) fluorescent molecular probes designed for detecting Amyloid-β and p-Tau protein …

Produced Water: Characterization And Treatment, Ramon Antonio Sanchez Rosario

Open Access Theses & Dissertations

In recent years, environmental concerns have urged companies in the energy sector to modify their industrial activities to facilitate greater environmental stewardship. For example, the practice of unconventional oil and gas extraction has drawn the ire of regulators and various environmental groups due to its reliance on millions of barrels of fresh water for hydraulic fracturing well stimulation, which is generally withdrawn from natural sources and public water supplies. Additionally, this process generates two substantial waste streams, which are collectively characterized as flowback and produced water. Whereas flowback water is comprised of various chemical additives that are used during hydraulic …

Computational Investigation Of Transition Metal Photoredox Catalysis: Redox Property Tuning Via Ligand Modification, Christian Fernando Sandoval Pauker

Open Access Theses & Dissertations

In the last decade, photoredox catalysis has become a powerful tool in synthetic chemistry. It relies on the ability of catalytic systems that facilitate energy-demanding redox reactions thanks to photoinduced electron transfer processes. This dissertation focuses on the computational investigation of the redox properties of transition metal photoredox catalysts using density functional theory (DFT) calculations. The research systematically explores the effects of altering redox-active ligands on the thermodynamics of electron transfer events in the photoredox cycle. The electronic structure changes throughout oxidative and reductive quenching cycles are analyzed, with a particular focus on Cu(I) complexes. Through computational techniques, insights into …

Selective Transfection Of A Transferrin Receptor-Expressing Cell Line With Dna-Lipid Nanoparticles And Synthesis Of Parasite-Derived Glycans As Biomarkers For Leishmaniasis, Irodiel Vinales Lozano

Open Access Theses & Dissertations

Despite notable progress in lipid nanoparticle (LNP)-mediated gene delivery, achieving selective transfection of specific cell types, such as cancer cells, remains a significant hurdle, hindering the advancement of innovative gene therapies. In this study, we engineered an LNP formulation encapsulating plasmid DNA (pDNA) encoding the monomeric Green Lantern (mGL) fluorescent reporter protein. The DT7 peptide ligand targeting human transferrin receptor 1 (hTfR1) was also conjugated to the LNP surface for targeted delivery to hTfR1-expressing cells. Optimization of LNP composition yielded favorable particle diameter, ζ-potential, yield, and pDNA encapsulation efficiency. Evaluation of transfection selectivity using a panel of two engineered cell …

Synthesis And Characterization Of Indole-Based Zinc Dipyrrin Photosensitizers, Jean-Pierre Sanza

Electronic Theses and Dissertations

Metal complexes of dipyrromethene (dipyrrins) used as sensitizers in photocatalysis offer a way to harness solar energy in chemical bonds to create new fuels. This offers the dual role of reducing fossil fuel dependence and atmospheric CO₂ levels. Traditionally, metal dipyrrin complexes are synthesized using substituted pyrroles, aldehydes, and transition metals. Indoles have a more expanded pi-electron system and their dipyrrin-type complex may exhibit visible light absorption, suggesting that they can act as photosensitizers for CO₂ reduction processes. A novel indoledipyrromethene was synthesized using unsubstituted indole and mesitaldehyde. The complex exhibits visible light absorption at 422 nm. Its …

Conversion Of Microcrystalline Cellulose To Hexane Using Hydrogenated Metal Oxides At Low Temperature And Pressure, Mubarak Osman

Electronic Theses and Dissertations

Increasing global energy demand and environmental concerns have fueled the exploration of sustainable and efficient methods for renewable fuel production. The conversion of cellulosic waste to hydrocarbon fuels using hydrogenated metal oxides presents a novel and eco-friendly approach to sustainably address energy demand. In this study, hydrogenated metal oxides were used as catalysts in a relatively low-temperature and atmospheric-pressure environment to facilitate the conversion of cellulosic waste into hydrocarbon fuels. Hydrogenated metal oxides have been introduced as potential hydrogen transfer catalysts. The expected result is the selective conversion of cellulose to hexane at relatively low temperatures, which significantly reduces energy …

Revealing The Three-Dimensional Arrangement Of Polar Topology In Nanoparticles, Chaewa Jeong, Juhyeok Lee, Hyesung Jo, Jaewhan Oh, Hionsuck Baik, Kyoung-June Go, Junwoo Son, Si-Young Choi, Sergey Prosandeev, Laurent Bellaiche, Yongsoo Yang

Physics Faculty Publications and Presentations

In the early 2000s, low dimensional ferroelectric systems were predicted to have topologically nontrivial polar structures, such as vortices or skyrmions, depending on mechanical or electrical boundary conditions. A few variants of these structures have been experimentally observed in thin film model systems, where they are engineered by balancing electrostatic charge and elastic distortion energies. However, the measurement and classification of topological textures for general ferroelectric nanostructures have remained elusive, as it requires mapping the local polarization at the atomic scale in three dimensions. Here we unveil topological polar structures in ferroelectric BaTiO₃ nanoparticles via atomic electron tomography, which …

Determination Of Common Drugs Of Abuse And Metabolites In Oral Fluid: Comparison Of Different Extraction Procedures, Melissa Koffer

Student Theses

Oral fluid has been gaining importance in forensic and clinical toxicology for many different drug testing scenarios. Oral fluid is composed of saliva, along with gingival fluid, bacteria, and food residues. Drug testing using oral fluid has many advantages over other matrices (blood, urine) such as the non-invasive collection, reduced risk of tampering, and shorter detection windows which show recent drug use. The purpose of this study was to develop an analytical method for the determination of 19 drugs of abuse and metabolites in oral fluid by liquid chromatography tandem mass spectrometry (LC-MS/MS) and compare three different extraction methods: liquid-liquid …

3d-Printed Microfluidic Devices For Electrochemiluminescence Detection Of Mirna, Oscar Clement

Honors Scholar Theses

This thesis outlines the research conducted over the past two years on the production and application of microfluidic devices (MFDs) in electrochemiluminescent-based bioanalytical assays. The work is categorized into two main projects: designing and manufacturing MFDs and developing electrochemiluminescent (ECL) assays for detecting Alzheimer's disease (AD) associated microRNAs (miRNAs) using CRISPR technology. The process of learning to design MFDs involved acquiring proficiency in computer-aided design (CAD) software, stereolithography (SLA) 3D printing, and iterative design techniques. The development of the ECL-based assay for AD miRNA was a multidisciplinary endeavor, combining elements of inorganic and biological chemistry. Although the research on the …