Chemistry Commons^™

Crystal Structure Of A (Carboxymethyl) Triethylazanium Bromide–2-(Triethylazaniumyl) Acetate (1/1) Hydrogen-Bonded Dimer, Faith M. Carlson, Richard J. Staples, Shannon Biros

Open Access Publishing Support Funded Articles

The title compound, C₈H₁₈NO₂⁺·Br⁻·C₈H₁₇NO₂, crystallizes as the bromide salt of a 50:50 mixture of (tri­ethyl­azaniumyl)­carb­oxy­lic acid and the zwitterionic (tri­ethyl­azaniumyl)­carboxyl­ate. The two organic entities are linked by a half-occupied bridging carb­oxy­lic acid hydrogen atom that is hydrogen-bonded to the carboxyl­ate group of the second mol­ecule. The tetra­lkyl­ammonium group adopts a nearly perfect tetra­hedral shape around the nitro­gen atom with bond lengths that agree with known values. The carb­oxy­lic acid/carboxyl­ate group is oriented anti to one of the ethyl groups on the ammonium group, and the …

Band Gap Engineering In Ternary Oxides And Sulfides: A Route To New Photoelectrodes For Solar Energy Conversion, Fahad Ibrahim Danladi

Chemistry & Biochemistry Dissertations - Archive

In recent years, there has been a growing interest in semiconductor photoelectrodes that can effectively split water into hydrogen and oxygen using sunlight. However, there is currently no known material that is efficient enough to be used for commercial purposes. Photoelectrodes currently have an efficiency of less than 10% in converting water under visible light irradiation. There is a need to develop an efficient semiconductor photoelectrode for photoelectrochemical water splitting that is both chemically stable and affordable, composed of earth-abundant elements and capable of operating under visible light. Metal oxides are considered promising photoelectrode materials due to their low cost, …

Studying The Stability Of Collagen/Heparin Coatings To Be Used In Cell Therapy Applications, Gavin Mussino

Biological Sciences Undergraduate Honors Theses

This honors thesis aims to investigate the reusability and performance of cell coatings for cell therapy applications. Cell therapy, which involves the use of human cells to repair or replace damaged tissues, holds immense potential for medical advancements. However, ensuring the survival and functionality of transplanted cells remains a significant challenge. We focused on studying the effectiveness of coatings applied to cells for improved cell growth and viability. The research project involved the preparation of the coatings using a layer-by-layer method and the subsequent seeding of cells. The coated cells were then subjected to a series of experiments to assess …

Probing The Mechanism Of Dna Protein Crosslink Formation By Aziridinomitosenes Through The Selective Precipitation Of Protein Salts, Michael Blair

Boise State University Theses and Dissertations

Aziridinomitosenes are synthetic chemotherapeutic agents that are analogs of Mitomycin C, as well as other mitomycins. They are known for their ability to form DNA interstrand cross-links (ICLs), and more recently have been observed to form DNA-protein cross-links (DPCs). In this work, three synthetic aziridinomitsenes were prepared and studied to better understand the role of the C6 and C7 positions in the formation of DNA-protein cross-links. In addition, two separate methods, the advanced recovery of K-SDS precipitates and the K-SDS assays were utilized and compared to assess the advancements in the analysis of DPC formation. H AZM, C6 AZM, Dimethyl …

Intra-Gendered Perceptions And Adoption Of Climate-Smart Agriculture: Evidence From Smallholder Farmers In The Upper East Region Of Ghana, Kwabena Antwi, Philip Antwi-Agyei

Student Publications [Scholarly]

Climate-smart agriculture (CSA) remains a key strategy for sustaining agricultural systems and achieving food security and nutrition. Despite this, uncertainty remains on how intra-gendered dynamics influence its adoption in dryland farming systems. This study implements both quantitative and qualitative approaches including household surveys, key informant interviews, and focus group discussions to explore how intra-gender dynamics shape the perceptions and adoption of climate-smart agriculture in three selected communities (Katanga, Dakio, and Zonno) in the Bolgatanga East District of the Upper East Region of Ghana. Specifically, the study answers the following research questions: (i) What is the degree of change in rainfall …

Phase Distribution Of Nickel, Chromium, And Cobalt In Seawater At Olivine-Enriched Beaches: Implications For Carbon Capture By Enhanced Silicate Weathering, Nathaniel J. Padrnos

Master's Theses

The application of olivine to coastal areas is a proposed method of removing carbon dioxide from the atmosphere for climate change mitigation. Olivine is abundant and dissolves relatively fast, but it contains trace amounts of nickel (Ni), chromium (Cr), and cobalt (Co) which may be toxic to marine biota in cases of widespread coastal olivine spreading. Prior studies have suggested that Ni concentrations in marine sediments and/or the overlying water column due to olivine dissolution could be a limiting factor for its carbon capture potential. Therefore, it is critical to understand and model the processes affecting trace metal bioavailability after …

Electron-Transfer Mediated Photo-Switching In Nanoparticles, Liaoran Cao

All Dissertations

Previous publications from our lab demonstrated viable approaches to design a photo-switching nanoparticle with arguably superior brightness and photostability resulting in an improved resolution in localization-based microscopy, as compared to other photo-switching dyes or particles. As a follow-up, this dissertation is focused on two major tasks: first, developing nanoparticles with better photo-switching properties for super-resolution imaging; second, trying to achieve a better physical picture of the mechanisms involved in photo-switching, including polaron dynamics, charge transfer, and energy transfer. A new class of photo-switchable nanoparticles was developed by blending conjugated polymer semiconductor with fullerene-based electron acceptors, and further blending with polystyrene …

Synthesis And Reactivity Of Heteroatom Embedded Cycloalkynes In Spaac, Nickel Catalyzed Alkylarylation Of Alkenes, And Carbofluorination Of Alkynes, Namrata Khanal

Chemistry and Chemical Biology ETDs

Part I covers Chapters 1, 2, and 3

cycloaddition reactions, that is utilized in biorthogonal chemistry. This metal free version The strain promoted azide-alkyne cycloaddition (SPAAC) reaction is one of the popular 1,3-dipolar of click reaction offers advantage over copper catalyzed click reaction. Since it eliminates the use of copper that is toxic to cells, it is considered favorable for biocompatible reaction. Due to the increased reactivity with dipoles without the use of metal catalyst, cycloalkynes, in particular cyclooctynes, have been employed as the biorthogonal reagent in biorthogonal chemical reaction for the study of a biological processes in vivo. The …

Integrating Sensor Development, Risk Assessment, And Community Engagement To Support Environmental Justice In The Rural Community Of El Tiple, Colombia, David Bahamon Pinzon

All Dissertations

In Colombia, ethnic communities have traditionally been responsible stewards of natural resources. They recognize the importance of these resources for their livelihood, as well as their ancestral and cultural heritage. El Tiple, a rural Afro-Colombian community, has been affected by the incursion of private corporations that promoted the expansion of sugarcane monocrops in their territory. Since the introduction of the monoculture industry, local freshwater sources have been depleted due to intensive water use for irrigation of the sugarcane crops. Additionally, the intensive usage of agrochemicals has been linked with loss of native flora, damages to family farms, and pollution of …

Inkjet-Printed Electrochemical Sensors For Lead Detection, Annatoma Arif

Open Access Theses & Dissertations

This PhD dissertation research has developed a simple, miniaturized, sensitive, selective, reproducible, and disposable 3D (inkjet printed – additive manufacturing technology) gold (Au) plated electrochemical sensor (ECS) on shape memory polymer (SMP) for aqueous lead detection. This technology has shown promising performance in the application of electrochemical sensing (lead (II) detection) due to increased effective electrode surface area (7.25 mm^2 ± 0.15 mm^2) despite miniaturizing lateral surface area (4.19 mm^2). The design, fabrication processes, optimization including bismuth functionalization, evaluation, uncertainty analysis, and cost analysis of the novel SMP based inkjet printed Au plated sensor have been delineated in this manuscript …

Removal Of Nonylphenols From Water And Wastewater Using Alginate-Activated Carbon Beads, Angelica Araly Chacon

Open Access Theses & Dissertations

The presence of contaminants of emerging concern (CECs) have been affecting water quality in recent years. The United States Environmental Protection Agency (U.S EPA) defines CECs as toxic chemicals without regulatory status and with adversely impact on the wildlife and people. Among the CECs, nonylphenols (NPs) are frequently found in all water systems and are categorized as endocrine-disrupting compounds (EDCs) due to their ability to mimic hormones causing reproductive and developmental effects in humans and animals. The main sources of discharge and distribution of NPs into the environment are wastewater treatment plants (WWTPs) which are not designed to remove them. …

A Dft Analysis And Simple Hamiltonian Modeling Of A Molecular System Employed For Experimental Evidence Of Quantum Teleportation, Pedro Ulises Medina Gonzalez

Open Access Theses & Dissertations

Radical ion pairs (RIPs) have been used to demonstrate quantum teleportation in molecular systems for applications in quantum information science. Covalent organic donor-acceptor (D-A) molecules can produce RIPs through photo-induced charge transfer and an additional radical (R) molecule makes quantum teleportation possible. We present the electronic structure and analyze charge transfer excited states of a recently studied [1] D-A-R molecular system using density functional theory. The distances between donor-acceptor and donor-radical are about 12.9 \AA $\,$ and 21.9 \AA, respectively. The excitation energies are calculated using the perturbative delta-SCF method and agree with other conventional excited-state methods and experimental reference …

Advances In One-Electron Self-Interaction-Correction Methods For Accurate And Efficient Self-Interaction-Free Density Functional Calculations, Selim Romero

Open Access Theses & Dissertations

Density functional theory (DFT) is a widely used computational method for studying electronic structures of atoms, molecules, and solids. It provides an exact theory for obtaining ground state energy from the ground state density. However, since the exact exchange-correlation functional remains unknown, approximate exchange-correlation functionals called approximate density approximations (DFAs) are used. The foundation of many DFAs is the local spin density approximation (LSDA). It serves as the starting point for constructing various DFAs. However, DFAs are prone to self-interaction errors (SIE) due to the improper cancellation of the approximate exchange energy and the Coulomb energy. This issue impacts the …

Dual Ni/Co-Hemin Metal-Organic Framework-Prgo For High-Performance Asymmetric Hybrid Supercapacitor, Kimia Zarean Mousaabadi, Ali A. Ensafi, Erfan Naghsh, Jin-Song Hu, Behzad Rezaei

Chemistry & Biochemistry Faculty Publications and Presentations

In this study, we conducted direct synthesis of a dual metal–organic framework (Ni/Co-Hemin MOF) on phosphorous-doped reduced graphene oxide (PrGO) to serve as an active material in high-performance asymmetrical supercapacitors. The nanocomposite was utilized as an active material in supercapacitors, exhibiting a noteworthy specific capacitance of 963 C g⁻¹ at 1.0 A g⁻¹, along with a high rate capability of 68.3% upon increasing the current density by 20 times, and superior cycling stability. Our comprehensive characterization and control experiments indicated that the improved performance can be attributed to the combined effect of the dual MOF and the …

Electrochemical Approaches To Life-Support Resources In Space Missions And Nuclear Technologies: Hydrogen Peroxide And Uranium Films, Armando Manuel Pena-Duarte

Open Access Theses & Dissertations

Space race has developed several technological advances that have achieved and continue to achieve the success of space missions in the aerospace timeline. Currently, the number of space technical and scientific innovations is still growing––demanding new materials and developments for extreme performing applications of fuel cells, batteries, supercapacitors, and systems of nuclear energy. Space missions require life-support solutions, auto-sustainable closed-loop living environments, cleaning and sanitizing solutions against pathogens, and safe nuclear-based resources of energy––with fissile materials with well-controlled dimensions within the core fuel elements. Likewise, to guarantee safety conditions, reduce costs, and facilitate operational logistics, space missions must reduce their …

Manufacturing Of A Flexible Piezoelectric Nanogenerator By Functionalizing Polyvinylidene Fluoride With Lithium Tantalate And Multiwalled Carbon Nanotubes For Energy Harvesting And Sensing Applications, Islam Uddin Shipu

Theses and Dissertations

Mechanical energy is one of the readily accessible green energy sources that could be employed to meet the small-scale energy requirement. In order to capture mechanical energy, power the next generation of electronic gadgets, and health monitoring flexible piezoelectric nanogenerators made of light weight polymers and carbon nanotubes have drawn a lot of attention. Lithium tantalate (LiTaO3), a ferroelectric substance, was prepared here and utilized to create a flexible piezoelectric nanogenerator (FPNG). A compact piezoelectric nanogenerator that successfully transfers mechanical energy into electricity was then created using lightweight polyvinylidene fluoride (PVDF), multi-walled carbon nanotube (MWCNT), and LiTaO3 nanoparticles. To create …

Indium Doped Zinc Stannate-Pdms Based Piezoelectric Generator For Harvesting Mechanical Energy And Sensory Application, Tamanna Zakia

Theses and Dissertations

Piezoelectric materials are comparatively new among other alternative energy sources. Harvesting waste mechanical energy through these materials can be a potential solution of the increasing energy demand. In response to applied mechanical stress, piezoelectric materials accumulate electric charges on their surface. Upon connecting with a circuit, accumulated charges can flow and generate electricity. Based on this hypothesis piezoelectric nano-generator has been fabricated. Binary semiconducting oxides such as ZnO, TiO2 and SnO2 have attracted immense interest as they have unique properties of electron mobility. However, there is always a need for specially designed semiconductors to better match with the properties. This …

Phosphatase And Pseudo-Phosphatase Functions Of Phosphatase Of Regenerating Liver 3 (Prl-3) Are Insensitive To Divalent Metals In Vitro, Jeffery T. Jolly, Ty C. Cheatham, Jessica S. Blackburn

Markey Cancer Center Faculty Publications

Phosphatase of regenerating liver 3 (PRL-3) is associated with cancer metastasis and has been shown to interact with the cyclin and CBS domain divalent metal cation transport mediator (CNNM) family of proteins to regulate the intracellular concentration of magnesium and other divalent metals. Despite PRL-3’s importance in cancer, factors that regulate PRL-3’s phosphatase activity and its interactions with CNNM proteins remain unknown. Here, we show that divalent metal ions, including magnesium, calcium, and manganese, have no impact on PRL-3’s structure, stability, phosphatase activity, or CNNM binding capacity, indicating that PRL-3 does not act as a metal sensor, despite its interaction …

Structures Of The Insecticidal Toxin Complex Subunit Xpta2 Highlight Roles For Flexible Domains, Cole L. Martin, David W. Chester, Christopher D. Radka, Lurong Pan, Zhengrong Yang, Rachel C. Hart, Elad M. Binshtein, Zhao Wang, Lisa Nagy, Lawrence J. Delucas, Stephen G. Aller

Markey Cancer Center Faculty Publications

The Toxin Complex (Tc) superfamily consists of toxin translocases that contribute to the targeting, delivery, and cytotoxicity of certain pathogenic Gram-negative bacteria. Membrane receptor targeting is driven by the A-subunit (TcA), which comprises IgG-like receptor binding domains (RBDs) at the surface. To better understand XptA2, an insect specific TcA secreted by the symbiont X. nematophilus from the intestine of entomopathogenic nematodes, we determined structures by X-ray crystallography and cryo-EM. Contrary to a previous report, XptA2 is pentameric. RBD-B exhibits an indentation from crystal packing that indicates loose association with the shell and a hotspot for possible receptor binding or a …

A Low Cost, Compact Electrochemical Analyzer Based On An Open-Source Microcontroller, Michael Kofi Darko Addo

Electronic Theses and Dissertations

Compared to other instruments for chemical analyses, electrochemical analyzers are relatively simple, inexpensive, easy to miniaturize and require little-to-no maintenance. However, like all commercially available instruments, commercial electrochemical analyzers like potentiostats primarily operate as black boxes with manufacturers providing little or no information about internal circuitry and programming. This practice can limit a researcher’s ability to develop new techniques or adapt an instrument for applications outside its typical use. In contrast, creators of open-source instruments release all the necessary information for reproduction of the hardware and software – minimizing such barriers to innovation in chemical analyses. Here, we report a …

Extraction, Purification, And Characterization Of Potential Bioactive Compounds Produced By Janthinobacterium Lividum Tajx1901, Andy Elorm Agbakpo

Electronic Theses and Dissertations

Underexplored environments such as soil samples continue to be an untapped source of bacterial strains with great potential to produce secondary metabolites for medicinal applications. As a result, these microorganisms represent a broad and yet unknown reservoir of new strains capable of producing these novel compounds. The current research primarily seeks to perform the isolation, purification, and characterization of secondary metabolites from a soil bacterium (Janthinobacterium lividum TAJX1901). The isolated soil bacterium was successfully cultured on rich media agar plates, followed by extraction using methanol and chloroform. The purification methods utilized include flash column chromatography, preparative thin-layer chromatography, and …

Isolation And Structural Determination Of Bioactive Metabolites From The Soil Bacterium, Arthrobacter Sp. Tajx1902, Amonah Arije

Electronic Theses and Dissertations

As antimicrobial resistance persistently disrupts the treatment of microbial infection, natural product chemistry has played a significant role in identifying novel drugs with novel modes of action critical to getting ahead of resistance. The primary goal of this project is to extract and identify potential novel antimicrobial natural products produced by Arthrobacter sp. Although underexplored, Arthrobacter sps. have been known to produce bioactive compounds with versatility; one such is a depsipeptide with quorum-sensing inhibitory activity.¹ In this research, an Arthrobacter sp. TAJX1902, isolated from a soil sample, showed inhibitory activity against a filamentous indicator bacterium and a violacein-producing Janthinobacterium …

Characterization Of Mechanically Recycled Polylactic Acid (Pla) Filament For 3d-Printing By Evaluating Mechanical, Thermal, And Chemical Properties And Process Performance, Mahsa Shabani Samghabady

All Theses

Polylactic acid (PLA) is a biopolymer made from renewable resources such as sugar and corn. PLA filament is a popular material used in Fused Deposition Modeling (FDM) 3D-printing. While this material has many advantages, all the failed parts, support structures, rafts, nozzle tests, and the many prototype iterations during the 3D-printing process contribute to the plastic pollution and release of greenhouse gases. Although PLA is biodegradable, it can take years to degrade in landfills. Instead of throwing away PLA waste and buying new filaments, PLA can be recycled. Amongst the different recycling technologies, mechanical recycling is the most environmentally friendly. …

Differential Membrane Binding Of Α/Β-Peptide Foldamers: Implications For Cellular Delivery And Mitochondrial Targeting, Tzong-Hsien Lee, James W. Checco, Tess Malcolm, Chelcie H. Eller, Ronald T. Raines, Samuel H. Gellman, Erinna F. Lee, W. Douglas Fairlie, Marie-Isabel Aguilar

Department of Chemistry: Faculty Publications

The intrinsic pathway of apoptosis is regulated by the Bcl-2 family of proteins. Inhibition of the anti-apoptotic members represents a strategy to induce apoptotic cell death in cancer cells. We have measured the membrane binding properties of a series of peptides, including modified α/β-peptides, designed to exhibit enhanced membrane permeability to allow cell entry and improved access for engagement of Bcl-2 family members. The peptide cargo is based on the pro-apoptotic protein Bim, which interacts with all anti-apoptotic proteins to initiate apoptosis. The α/β-peptides contained cyclic β-amino acid residues designed to increase their stability and membrane-permeability. Dual polarisation interferometry was …

Aerosol Mutagenicity In San Bernardino, California Via Bacterial Fluctuation Tests, Sean Murphy

Electronic Theses, Projects, and Dissertations

San Bernardino, California’s poor air quality is a health risk to its population with some of the highest concentrations of ozone and aerosol in the United States. Aerosols are solid or liquid particles suspended in the air. Smaller aerosol particles are the most harmful as they are more likely to penetrate further into the respiratory system. These aerosols can cause respiratory issues and contain toxic compounds. One measure of aerosol toxicity is to study the mutagenicity of the aerosol. To study the mutagenicity of aerosol samples collected in San Bernardino in 2022, fluctuation tests (based on the Ames test for …

Development And Applications Of Novel And Practical Fluorination Reagents., Yuhao Yang

Electronic Theses and Dissertations

The fluorine (F) atom has distinctive properties such as the highest electronegativity, small size, low polarizability, and strong C–F bond strength. Not surprisingly, fluorinated organic compounds have garnered significant attention in the pharmaceutical, agrochemical, and material fields. Since organofluorides are very rare in nature, we need fluorination reagents to help us transfer fluorine into the organic molecules. In past decades, a vast number of fluorination reagents have been developed and many of them are commercially available now. However, there is still much room for the improvement of these reagents. Our target is to develop novel and practical fluorination reagents to …

New Methodologies For Sustainable Organic Synthesis In Water., Sudripet Sharma

Electronic Theses and Dissertations

Water is stable, benign, and green solvent. Its usage as a solvent in organic synthesis is significantly enhanced by micellar catalysis. However, replacing water as a reaction medium in organic synthesis is not sufficient to meet the sustainability challenges—excessive organic solvents are still required for product isolation and purification. Notably, solvents used in syntheses contribute to more than 80% of waste generation. In addition to solvents, the use of palladium in large amounts is also a problem for the future as it is a precious, low-abundance metal, and its supply is dwindling. Therefore, this dissertation highlights the various sustainable protocols …

Towards A Comprehensive Data Infrastructure For Redox-Active Organic Molecules Targeting Nonaqueous Redox Flow Batteries, Rebekah Duke, Vinayak Bhat, Parker Sornberger, Susan A. Odom, Chad Risko

Chemistry Faculty Publications

The shift of energy production towards renewable, yet at times inconsistent, resources like solar and wind have increased the need for better energy storage solutions. An emerging energy storage technology that is highly scalable and cost-effective is the redox flow battery comprised of redox-active organic materials. Designing optimum materials for redox flow batteries involves balancing key properties such as the redox potential, stability, and solubility of the redox-active molecules. Here, we present the data-enabled discovery and design to transform liquid-based energy storage (D³TaLES) database, a curated data collection of more than 43 000 redox-active organic molecules that are …

Healthcare Built Environment And The Covid-19 Pandemic, A Mixed-Method Study, Mohammad Saleh Nikooopayan Tak

All Theses

The outbreak of COVID-19 presented an unparalleled risk to public health, leading to urgent scientific efforts in understanding transmission mechanisms and mitigating risks, especially in healthcare settings. This mixed-methods study examines knowledge advancement regarding indoor air quality in healthcare facilities during the pandemic. A systematic literature review of 163 post-COVID studies identifies key research thrusts and 31 recommendations related to building ventilation, air filtration, surface disinfection, and monitoring. Comparison with over 200 pre-pandemic publications reveals both reliance on established infection control principles and unique contributions, such as detecting viral RNA in air and surface samples indicating potential airborne and fomite …

Resistive And Capacitive Behavior In Self-Healing Poly(Ionic Liquid) Copolymers, Jaylan Fraser-Mines

All Theses

This thesis elucidates the origin of molecular events during the damage-repair cycle in a new class of copolymers composed of ionic liquids (ILs) and acrylic-based monomers. In these studies, (1-[(2-methacryloyloxy)ethyl]-3- butylimidazolium bis(trifluoromethyl-sulfonyl)imide) (MEBIm-TFSI) was copolymerized with methyl methacrylate (MMA) and n-butyl acrylate (nBA) to form poly((1-[(2-methacryloyloxy)ethyl]-3- butylimidazolium bis(trifluoromethyl-sulfonyl)imide)-co-methyl methacrylate-co-n butyl acrylate) (p(MEBIm-TFSI/MMA/nBA)) and its mechanical and electrical properties were examined. Following the introduction to this work, Chapter 1 provides an overview of the continuously growing field of ILs and focuses on the structure-property relationships between ILs and their properties as single molecules and monomers in poly(ionic liquid)s (PILs). Chapter 2 …