Digital Commons Network^™

Living Emission Abolish Filters (Leafs) For Methane Mitigation: Design And Operation, Richard Hamilton, Nicholas Griffith, Peter Salamon, Robert Handler, Marina G. Kalyuzhnaya

Michigan Tech Publications

As one of the most potent greenhouse gases, methane is a critical target for the near-term mitigation of global warming. Efficient, scalable, easy-to-implement, and robust mitigation technologies are urgently needed to assist in reaching methane abolishment. The goal of this research was to test the applicability of active, extremophilic methanotrophic cells as a baseline concept for engineered systems aiming at methane capturing. The system, named living emission abolish filters (LEAFs), represents an array of immobilized biomaterials capable of capturing methane directly from vent streams. The biomaterials were made using cells of Methylotuvimicrobium alcaliphilum 20ZR, a robust halophilic methanotrophic bacterium with …

Cn Stretches Around 4.4 Microns Dominate The Ir Absorption Spectra Of Cyanopolycyclic Aromatic Hydrocarbons, Vincent J. Esposito, Ryan C. Fortenberry, Christiaan Boersma, Alexandros Maragkoudakis, Louis J. Allamandola

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Anharmonic quantum chemical computations reveal a strong, narrow (width = 0.075 μm) band in the 4.3–4.5 μm region of the absorption spectra of the cyano-substituted polycyclic aromatic hydrocarbons (CN-PAHs) cyanonaphthalene, cyanoanthracene, c yanophenanthrene, and c yanopyrene. This narro w windo w with intense IR lines implies that CN-PAHs of various shapes and sizes offer little variation in both wavelength and intensity in this region. Subsequently, this band can be used as a tracer for CN-PAHs. The distinct features making up the band are assigned to mixed vibrational states consisting of the CN stretch fundamental and various combination bands, including in-plane …

Synthesis And Characterization Of Ox-Nad Derivatives, Juanita Monteiro-Pai

Honors Theses

Energy metabolism is complex, and NAD, or nicotinamide adenine dinucleotide, plays a huge role as an organic redox cofactor, driving metabolic reactions. The abundance of pathways dependent on NAD has led to an increase in the studies of NAD and its precursors. As a result NR, or nicotinamide riboside, is now a popular pharmaceutical taken to increase levels of NAD in the body. NR is not only a precursor to NAD, but a metabolite that is found in extracellular regions such as urine and blood. While this molecule should be an intracellular molecule, the fact that it is found in …

Investigating The Impact Of Secondary Activation Time On The Adsorption Properties Of Activated Biochar For Arsenic Removal From Wastewater, Achyuth Bharadwaj Rayarao

Graduate Theses and Dissertations (2019 - present)

Biochar, a naturally occurring and renewable carbon material, becomes porous through activation. Activated biochar is an ideal candidate for use as an adsorbent. The objective of this study is to investigate whether activated biochar derived from Colorado soft pine serves as a better adsorbent and demonstrates enhanced adsorption capabilities after undergoing secondary physical activation at various activation times. The effect of secondary action time on physical adsorption properties drawn from the analysis of isotherm plots, surface areas and pore size patterns were examined by using a physisorption analyzer. Chemical structures were identified using both ultimate and proximate analyses, while porosity …

Using Student Interests To Explore Inclusion In Undergraduate Chemistry, Sonja Hoversten

CSB and SJU Distinguished Thesis

For students who are not chemistry majors, but who are on a career track requiring four chemistry courses, taking the final reactivity chemistry course (CHEM 251) for pre-health students can be daunting. For this reason, this research is focused on the CHEM 251 course at The College of Saint Benedict and Saint John’s University (CSBSJU) which is one of the four required chemistry courses for pre-medicine and some pre-physician assistant students, and all chemistry and biochemistry majors. Student perception of inclusion in the course increased through the implementation of group assignments including prompts for individual application of the material. The …

Design, Synthesis, Self-Assembly, And Applications Of Functional Bottlebrush Architectures Through Ring-Opening Metathesis Polymerization, Yipei Zhang

Arts & Sciences Graduate Student Theses and Dissertations

Shear-thinning hydrogels are a class of materials with unique rheological properties that enable them to undergo a reversible reduction in viscosity under shear stress, which allows for easy injection. The injectability of shear-thinning hydrogels is particularly important when considering their use in biomedical applications, such as drug delivery, tissue engineering, and wound healing. However, before advancing to these applications, it is crucial to evaluate the “injectability” of new shear-thinning hydrogels to avoid clogging of the needle for injection. Injectability is typically associated with determining suitable viscosity, storage/loss moduli, and other factors, such as injection force (e.g., needle length and gauge …

Zeolitic Imidazolate Framework-8 Encapsulated With Mo-Based Polyoxometalates As Surfaces With Antibacterial Activity Against Escherichia Coli, Mariam M. Abdelkhalek, Aya M. Mohamed, Rehab Z. Abdallah, Ghada E. Khedr, Rania Siam, Nageh K. Allam

Faculty Journal Articles

Bacterial infections represent a major global health concern, causing millions of deaths and a significant economic burden. The development of antibacterial nanoporous surfaces with potential mechano-bactericidal effects can revolutionize infection control practices. In this study, a hybrid material of zeolitic imidazolate framework-8 (ZIF-8) doped with phosphomolybdic acid (PMA) was synthesized and characterized by field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and N2 sorption isotherms. PMA@ZIF-8 performance as an antibacterial agent against E. coli was superior to that of its individual constituents, suggesting a synergistic effect of PMA and ZIF-8. The …

Incorporating Solvent Effects In Dft: Insights From Cation Exchange In Faujasites, An T. Ta, Ayoub Daouli, R. Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agnès Grandjean, Richard G. Hennig, Hans Conrad Zur Loye, Michael Badawi, Simon R. Phillpot

Faculty Publications

Zeolites are versatile materials renowned for their extra-framework cation exchange capabilities, with applications spanning diverse fields, including nuclear waste treatment. While detailed experimental characterization offers valuable insight, density functional theory (DFT) proves particularly adept at investigating ion exchange in zeolites, owing to its atomic and electronic resolution. However, the prevalent occurrence of zeolitic ion exchange in aqueous environments poses a challenge to conventional DFT modeling, traditionally conducted in a vacuum. This study seeks to enhance zeolite modeling by systematically evaluating predictive differences across varying degrees of aqueous solvent inclusion. Specifically focusing on monovalent cation exchange in Na-X zeolites, we explore …

The Effects Of Free Volume And Processing On The Development Of Gas Separation Membranes, Jacob Schekman

Dissertations

Structure, thermal, mechanical, gas transport, and free volume properties of thiol-ene based systems are investigated and discussed. In the pursuit of generating low energy-cost polymer membranes for gas separation, it became apparent that UV-curing of thiol-ene materials presented several routes toward achieving this goal. Network structure plays a vital role in determining the gas transport properties of membrane materials. UV photopolymerization techniques provide a means to rapidly vitrify network morphologies which can be tuned depending on choice of monomer. Thiol-ene monomers offer a broad range of precursor materials from which to choose for the design of functional membrane materials.

Chapter …

Synthesis Of Poly-N-Methylated Peptides Against Malaria, Kaitlyn Watson

Theses & Dissertations

Malaria, a life-threatening global health concern, is primarily targeted by mainstream treatments such as artemisinin-based combination therapies, focusing on the blood stage of the disease. Primaquine, one of the few drugs active against the liver stage, faces challenges with reports of resistance in Plasmodium vivax strains and relapsing infections. With the scarcity of liver-stage-targeting drugs and increasing cases of drug-resistant malaria, the World Health Organization emphasizes the urgent need for novel therapeutic agents. Marine organisms are a rich source of new bioactive compounds, and extracts from the Antarctic Sea sponge Inflatella coelosphaeroides revealed new N-methylated peptides exhibiting promising antimalarial activity, …

Development Of An Enhanced Sampling Workflow To Accelerate Molecular Docking With Sparse Biophysical Information, Zachary Stichter

Masters Theses & Specialist Projects

Rapid docking of flexible biological macromolecules remains a significant open challenge in protein structure determination. While rigid docking is relatively simple with toolkits such as TagDock, a key obstacle to rapid flexible docking is the complexity and roughness of the free energy surface associated with protein conformational motion (often termed the many-minima problem), meaning conventional molecular dynamics methods do not effectively sample protein conformations near the interaction complex in accessible timescales. Methods such as metadynamics and replica exchange molecular dynamics exist to ameliorate this obstacle, yet these methods use nonphysical biases or random swaps to enhance sampling. In contrast, high …

Development Of Chiral Lewis Base Catalysts For Chlorosilane-Mediated Asymmetric C-C Bond Formations, Changgong Xu

Theses and Dissertations

The chiral hydrazine is a crucial structural motif that serves as pivotal structural elements in numerous natural products and biologically significant molecules. We are particularly interested in the catalytic asymmetric reduction of hydrazones, as well as the catalytic asymmetric propargylation and allenylation of hydrazones, because they provide direct pathways to these enantio-enriched chiral building blocks. In this work, we will explore the potential of two different categories of chiral Lewis base catalysts in the said transformations.

Developed by another student in our group, axial-chiral 3,3’-triazolyl biisoquinoline N,N’-dioxides derived catalysts are tested and demonstrated its capability in activating various hydrazone …

Tpm^Ph Derivative Of Tungsten; Hydrogen-Bonding In 7-Coordinate Cation Complex, Olivia Ryon Simcox

Undergraduate Honors Thesis Collection

Tpm^Ph, or tris(3-phenylpyrazolyl)methane reacts with tungsten hexacarbonyl to form the ligand-metal complex tris(3-phenylpyrazolyl)methane tungsten tricarbonyl, or Tpm^PhW(CO)3. The further complexes of Tpm^PhW(CO)3 and Tpm^PhMo(CO)3 are not known. This project aims to explore how the addition of a phenyl substituent to the pyrazole ring on Tpm impacts the synthesis of [Tpm^PhW(CO)3I]+X– and [Tpm^PhW(CO)3H]+X–. The inclusion of this phenyl substituent may impact the possible hydrogen bonding of then hydrogen contained in the carbon-hydrogen bond. This work aims to explore the extent of hydrogen-bonding of the carbon-hydrogen bond of the Tpm^Ph ligand in cationic metal complexes.

Using Ion Mobility Mass Spectrometry In Conjuction With Derivatization Methods To Enhance The Separation Of Different Steroid Isomers, Shadrack Lucas

All Theses

One of the major problems facing analytical chemistry challenge is the isomers separation, due to their closely related molecular structures and physicochemical properties. Therefore, in this thesis, we have performed the separation of steroid isomers through the use of ion mobility mass spectrometry, using various chemical approaches. Ion mobility is an effective high-resolution separation techniques that utilizes the mobility of ions in the gas-phase environment. A useful tool for isomeric analysis due to the ability to separate different isomeric classes of steroids according to their varied collision cross-sections, which is achieved by taking advantage of differences in ion mobility.

Moreover, …

A Copper-Selective Sensor And Its Inhibition Of Copper-Amyloid Beta Aggregation, Ngoc Kim Nguyen, Bella Poduska, Mia Franks, Manoranjan Bera, Ian Maccormack, Guoxing Lin, Alexander P. Petroff, Samir Das, Arundhati Nag

Chemistry

Copper is an essential trace metal for biological processes in humans and animals. A low level of copper detection at physiological pH using fluorescent probes is very important for in vitro applications, such as the detection of copper in water or urine, and in vivo applications, such as tracking the dynamic copper concentrations inside cells. Copper homeostasis is disrupted in neurological diseases like Alzheimer’s disease, and copper forms aggregates with amyloid beta (Ab42) peptide, resulting in senile plaques in Alzheimer’s brains. Therefore, a selective copper detector probe that can detect amyloid beta peptide-copper aggregates and decrease the aggregate size has …

Determining The Time Since Deposition Of Bloodstains Based On Vibrational Spectroscopy For Forensic Purposes, Alexis Renee Weber

Legacy Theses & Dissertations (2009 - 2024)

At the scene of violent crimes, bloodstain evidence is one of the most frequently found and valuable types of evidence. Blood traces discovered at crime scenes can provide crucial information to an investigation. By obtaining a DNA profile from the bloodstain, the profile can be used to link someone to a crime scene, which can corroborate or dispute a witness's statement. However, the current analysis of bloodstains is still not able to answer a key question for investigators: how much time has passed since the criminal event occurred? In addition, an equally important aspect of crime reconstruction is the ability …

Exploring Nucleic Acid Modifications For Rna-Based Therapeutics: Insights From Molecular Dynamics Simulations, Samantha Biaesch

Legacy Theses & Dissertations (2009 - 2024)

Nucleic acid modifications are pivotal in biological processes due to their multifaceted roles. They regulate gene expression by modulating transcription, with modifications in the nucleic acid, sugar group, or in its phosphate backbone. In our investigation, we explore the use of molecular dynamics simulations to study nucleic acid modifications for potential applications in RNA-based therapeutics. These modifications introduce nonstandard atoms, such as selenium, and new parameterizations must be performed to properly simulate in GROMACS. These parameters govern bonded (strength of bonds, angles and dihedrals) and non-bonded (size and charges) interactions for each of the atoms in the modification. The first …

Argonaute 2 Binding Affinity To Determine Repression Of Mirna-Mrna Pairs, Christina M. S. Karadiakos

ALL - Honors Theses

MicroRNAs (miRNA) are a class of small non-coding RNAs that play a key role in gene silencing. miRNAs form an RNA-induced silencing complex (RISC) with the argonaute 2 (AGO2) protein in order to control gene expression through silencing messenger RNAs (mRNA). The ability for a miRNA-mRNA complex to fit into AGO2 and form the RISC is based on the location and characteristics of a central bulge, but the mechanism and interactions that lead to a functional RISC remain unknown. Using available experimental data, we modeled complexes composed of a miRNA (miR-34a) and different mRNA sequences inside of AGO2. The resulting …

Investigations Into The Expansion Of Breslow-Type Intermediate Reactivity Via Radical C-N Bond Homolysis, Jacklyn J. Kubik

Graduate Theses and Dissertations

The Breslow intermediate is a key intermediate in catalytic transformations like the benzoin condensation and Stetter reaction. These intermediates were first postulated by Ronald Breslow in 1958. Since then, a number of researchers have sought to prove their existence and expand upon the reactions possible using these intermediates. In the sixty plus years since this intermediate was first postulated the reaction scope has expanded significantly, Breslow and breslow-type intermediates have expanded to encompass benzothiazoles, imidazoles, benzoimidazoles, triazoles, thiadiazoles, diamino type structures, and most recently pyridine structures. The expansion of these reactions has opened up new avenues of exploration and previously …

Advancement Of Iterative Optimization Technology Algorithms Toward Calibration-Free Process Analytical Technology Applications, Adam Rish

Electronic Theses and Dissertations

The expansion of spectroscopic process analytical technology (PAT) tools within the pharmaceutical industry has the potential to elevate the current state-of-the-art of pharmaceutical manufacturing by offering opportunities for reduced quality testing times, enhanced process control, and greater production flexibility. Spectroscopic PAT tools are dependent on multivariate models to extract the relevant information from the spectral outputs. However, there is a substantial calibration burden for developing and maintaining these multivariate models that discourages the application of PAT, despite the encouragement from regulators. This has led to an interest in calibration-free methods such as iterative optimization technology (IOT) for spectroscopic PAT that …

A Revised Synthesis Of The Cationic Lipids Dmri And Mlri, Benjamin A. Kostic

College of Arts & Sciences Senior Theses

Lipid nanoparticles (LNPs) are an increasingly utilized method of intracellular delivery for nucleic acids. The COVID-19 vaccines from Moderna and Pfizer-BioNTech have used LNP technology to combat the recent global SARS-CoV-2 pandemic, saving millions of lives.^1,2 These vaccines consist of a lipid formulation that binds to the anionic phosphate groups of mRNAs and serves as an effective way to transport the nucleic acid across membranes into cells.⁹The mRNA encodes a viral protein. When introduced to cells, the viral protein is produced so that the immune system then can generate an appropriate antibody response.³ However, this approach …

Earth Abundant Catalyst For Evironmental Sustainability Applications, Javier Hernandez

Open Access Theses & Dissertations

The development of experimental methodologies for synthesizing a diverse range of metallic and metal oxide nanoparticles tailored for sustainable water treatment applications was investigated. These nanoparticles are prepared using environmentally friendly and scalable synthesis methods, underscoring their potential for large-scale production. Synthesized nanoparticles are harnessed for various processes, including catalysis and electrocatalysis, with a primary objective of degrading and removing organic pollutants from water. Key to this research is the encapsulation of nanoparticles within solid supports. Multiple methodologies are explored to engineer supports that ensure nanoparticle stabilization, monodispersion, and prevent unintended release into the environment. Two alternative approaches were evaluated …

Synthesis Of Neoglycoproteins As Potential Biomarkers For Chagas Disease And Cutaneous Leishmaniasis Caused By Leishmania (Viannia) Braziliensis, Eileni Rodriguez Gil

Open Access Theses & Dissertations

Protozoan parasites are responsible for causing numerous diseases in humans and mammals worldwide. Among them are Chagas disease (CD), caused by the parasite Trypanosoma cruzi (T. cruzi), and tegumentary leishmaniasis (TL), caused by the parasite Leishmania (Viannia). Both diseases coexist in many regions of Latin America, and current hurdles to differentially diagnose them and determine chemotherapy success need to be overcome. CD can be diagnosed by traditional serological tests and polymerase chain reaction (PCR), but disadvantages of these methods are that they may produce false negatives because the antigens used in commercial CD kits are not conserved across all T.cruzi …

Table Of Contents

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 …