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Articles 661 - 690 of 33373
Full-Text Articles in Entire DC Network
Pipeline Corrosion And Relevant Microbial Influence, Renee E. Bamberger
Pipeline Corrosion And Relevant Microbial Influence, Renee E. Bamberger
Williams Honors College, Honors Research Projects
This study investigated the role of microbial activity and oxygen availability in the corrosion of carbon steel pipelines with a focus on microbially influenced corrosion (MIC). Sediment collected from Old Woman Creek, Ohio, was used to simulate natural soil conditions, and carbon steel coupons were incubated under four treatments: nonsterile oxic, nonsterile anoxic, autoclaved oxic, and autoclaved anoxic over 85 days. Corrosion was assessed through mass loss measurements and the analysis of pH, sulfate, chloride, and dissolved iron concentrations. The greatest mass loss was observed in autoclaved oxic conditions, contrary to the initial hypothesis that microbial activity would greatly enhance …
Scalable Transfer Of Dna Origami–Directed Nanoparticle Arrays Onto Functional Surfaces Using Thermal Release Tape, Yuwei Zhang, Chikadibia Genevieve Edward, Ethan Keuhn, Shelley D. Minteer, Risheng Wang
Scalable Transfer Of Dna Origami–Directed Nanoparticle Arrays Onto Functional Surfaces Using Thermal Release Tape, Yuwei Zhang, Chikadibia Genevieve Edward, Ethan Keuhn, Shelley D. Minteer, Risheng Wang
Chemistry Faculty Research & Creative Works
Precise integration of DNA origami nanostructures onto functional substrates is essential for advancing electronics, photonics, and biosensing. However, most surface-assembly methods are highly sensitive to substrate type, limiting their broader applications. Here, we introduce a thermal release tape (TRT)-assisted transfer method that enables efficient, large-area printing of DNA origami-guided gold nanoparticle (AuNP-DNA origami) arrays from mica onto diverse surfaces. The method relies on differential adhesion: AuNP-DNA origami arrays form strong electrostatic and hydrogen-bonding interactions with 3-aminopropyltriethoxysilane (APTES)-functionalized receiver substrates, while the TRT adhesive weakens upon heating to 120°C, allowing release from the tape. Using this approach, well-ordered AuNP-DNA origami arrays …
Closing The Nitrogen Loop In Groundwater With Biohybrid Technologies, Linjie Zhou, Biao Li, Jianhua Guo, Shelley D. Minteer, Yifeng Zhang
Closing The Nitrogen Loop In Groundwater With Biohybrid Technologies, Linjie Zhou, Biao Li, Jianhua Guo, Shelley D. Minteer, Yifeng Zhang
Chemistry Faculty Research & Creative Works
Nitrate in groundwater should be treated as a nitrogen source rather than a contaminant. Biohybrid technologies coupling microbial selectivity with renewable electro(photo)chemical energy offer opportunities to convert nitrate to value-added ammonium, although challenges remain in scalability, microbial stability, material–microbe integration, process engineering, regulatory compliance, and economic feasibility.
Green Modification Of A Coupling Reaction Between N-Acetylated Amino Acids And P-Nitrothiophenol, Kaitlyn S. Marley, Hannah M. Werle, John P. Morgan
Green Modification Of A Coupling Reaction Between N-Acetylated Amino Acids And P-Nitrothiophenol, Kaitlyn S. Marley, Hannah M. Werle, John P. Morgan
SURF Posters 2026
Native Chemical Ligation (NCL) is a process by which smaller peptides can be linked together to form larger peptides and proteins, but the preparation of necessary thioester starting materials often relies on hazardous reagents. We report a greener synthesis of S-(4- nitrophenyl) N-acetylphenylalaninethioate, building upon the methodology reported by Raines et al.1 This literature synthesis uses N,N-dimethylformamide (DMF) as solvent in the final thioester coupling step to accommodate the limited solubility of N-acetylphenylalanine in less polar solvents. However, DMF is a known reproductive toxin and environmental hazard. Our research demonstrates that acidic water serves as a highly effective, benign alternative …
Comparative Evaluation Of Hplc And Capillary Electrophoresis In Intestinal Permeability Of Oseltamivir Phosphate Via Single-Pass Intestinal Perfusion (Spip) Method, Senem Şanli, Gülpembe Halay, Mustafa Sinan Kaynak, Nurullah Şanlı
Comparative Evaluation Of Hplc And Capillary Electrophoresis In Intestinal Permeability Of Oseltamivir Phosphate Via Single-Pass Intestinal Perfusion (Spip) Method, Senem Şanli, Gülpembe Halay, Mustafa Sinan Kaynak, Nurullah Şanlı
Arts & Sciences Faculty Publications
Introduction: Oseltamivir phosphate (OP), a widely used antiviral prodrug for influenza, requires accurate Biopharmaceutics Classification System (BCS) classification to inform formulation and bioequivalence decisions. Despite its high solubility, the permeability characteristics of OP remain inadequately defined. Methods: This study evaluated the intestinal permeability of OP using the in situ Single-Pass Intestinal Perfusion (SPIP) model in male Sprague Dawley rats. Two validated analytical methods - High-Performance Liquid Chromatography (HPLC) and Capillary Zone Electrophoresis (CZE) were developed and compared. Metoprolol tartrate served as the high-permeability reference standard, and phenol red was used to monitor water flux. Permeability coefficients (Peff) were calculated after …
Balancing Evidence Recovery: Hexane’S Effect On Biological And Non-Biological Traces In Sexual Assault Kits, Maya Richards
Balancing Evidence Recovery: Hexane’S Effect On Biological And Non-Biological Traces In Sexual Assault Kits, Maya Richards
Honors Undergraduate Theses
This study investigated the effectiveness of solvent – based extraction methods for the recovery of lubricant residues from simulated sexual assault swabs, with emphasis on balancing chemical evidence recovery. Sequential extraction using ultra – pure water followed by organic solvents, hexane, dichloromethane (DCM), and ethyl acetate (EA), was evaluated across water – based, silicone – based, oil – based, and hygiene product matrices. Analysis was performed using Direct Analysis in Real Time – High Resolution Mass Spectrometry (DART – HRMS), and extraction efficiency was assessed through spectral correlation with neat reference samples. Results demonstrated that solvent performance was highly dependent …
Evaluating The Comparison Of Different Body Locations For Data Collection Using Galvanic Skin Response Of Forensic Chemistry Students When In Lecture And Laboratory Environments, Elisa Guerrero
Honors Undergraduate Theses
Anxiety is the response that humans can have when exposed to a stimulus. It can be caused by a multitude of factors, such as psychological, biological, or physiological stimuli. Anxiety can be presented as a state or as a trait in a person. Trait anxiety is typically seen as a more stable personality trait, whereas state anxiety is a more intense temporary emotional state. In our study, anxiety was regarded as a more state-like characteristic. A galvanic skin response (GSR) Shimmer3+ device can measure skin electro-conductance changes following stimulation. In a situation where a participant is experiencing anxiety, levels of …
Spectroscopic And Structural Characterization Of Unexpected Porphyrinoid Byproducts Resulting From The Reaction Of A Cyclopentadiene Trialdehyde With N-Alkyltripyrranes, Kimberly Le, Gregory M. Ferrence, Timothy D. Lash
Spectroscopic And Structural Characterization Of Unexpected Porphyrinoid Byproducts Resulting From The Reaction Of A Cyclopentadiene Trialdehyde With N-Alkyltripyrranes, Kimberly Le, Gregory M. Ferrence, Timothy D. Lash
Faculty Publications – Chemistry
Acid-catalyzed condensation of N-alkyltripyrranes with a cyclopentadiene trialdehyde, followed by oxidation with aqueous ferric chloride solutions, gave unusual tripyrrolic byproducts in addition to previously reported carbaporphyrins and oxycarbaporphyrins. These stable nonaromatic structures incorporate aldehyde substituents, macrocyclic ketones, two conjugated pyrrole units, and a pyrrolo[1,2-a]pyrrole moiety. The NMR and UV-vis data were consistent with a nonaromatic system, and single-crystal X-ray diffraction confirmed that these structures are highly distorted. Structural characterization of a related aromatic carbaporphyrin triketone was also accomplished.
Biochemical Investigations Of F420-Dependent Glucose-6-Phosphate Dehydrogenase From Cryptosporangium Arvum, Sarah T. Al-Noubani
Biochemical Investigations Of F420-Dependent Glucose-6-Phosphate Dehydrogenase From Cryptosporangium Arvum, Sarah T. Al-Noubani
2026 Spring Honors Capstones Projects
F420-dependent glucose-6-phosphate dehydrogenase (FGD) catalyzes the conversion of glucose-6-phosphate to 6-phosphogluconolactone using the deazaflavin, Cofactor F420. FGD from Mycobacterium tuberculosis has been investigated due to its health relevance to prodrug activation. More recently, FGD from Cryptosporangium arvum (Cryar- FGD) has been investigated due to its broader substrate specificity toward multiple sugar phosphates. Kinetic and NMR studies have shown that Cryar-FGD has dual catalytic activity as a dehydrogenase and isomerase. Further investigations are being conducted on Cryar-FGD to characterize key residues involved in catalysis.
To investigate the catalytically active residues of Cryar-FGD, …
Development Of Novel Methods For Investigative Leads In Firearm And Explosive Related Incidents, Addio Joseph Fiordigigli Jr.
Development Of Novel Methods For Investigative Leads In Firearm And Explosive Related Incidents, Addio Joseph Fiordigigli Jr.
Graduate Theses, Dissertations, and Problem Reports (ETD)
Criminal outbreaks and gun violence persist as a multifaceted global crisis, marked by escalating rates of homicide, suicide, and terrorism that destabilize communities and strain public resources. The proliferation of illicit firearms and homemade explosive devices, along with the complexity of modern criminal networks, necessitates innovative scientific tools to strengthen preventive intelligence operations and ensure that the legal process is grounded in physical evidence. More efficient detection of traces left behind at a crime scene can help prevent further harm or injury from follow-up attacks. This study aims to develop and evaluate new triage methods for characterizing gunshot residues (GSR) …
Connections Between Mathematics And Chemistry: An Interdisciplinary Undergraduate Curricular Initiative, George Ashline, Bret Findley
Connections Between Mathematics And Chemistry: An Interdisciplinary Undergraduate Curricular Initiative, George Ashline, Bret Findley
Journal of Mathematics and Science: Collaborative Explorations
In this article, we describe an undergraduate curricular initiative involving mathematics and chemistry faculty and students. Supported by a grant from the National Science Foundation Scholarships in Science, Technology, Engineering, and Mathematics Program, a program designed to encourage the study of and connections between quantitative fields and life sciences, this interdisciplinary collaboration features undergraduate student research and involves the development of curricular connections between mathematics and chemistry. Through this initiative, we have created activities for calculus courses featuring chemistry applications as well as activities for chemistry courses showcasing mathematical concepts. After the implementation of these curricular enhancements, we gathered student …
Scope Of Microbial Transglutaminase For Site-Specific And Oriented Immobilization Of Native Antibodies From Various Host Species, Emily Beitello, Kwame Osei, Faith E. Breausche, Jon A. Friesen, Jeremy D. Driskell
Scope Of Microbial Transglutaminase For Site-Specific And Oriented Immobilization Of Native Antibodies From Various Host Species, Emily Beitello, Kwame Osei, Faith E. Breausche, Jon A. Friesen, Jeremy D. Driskell
Faculty Publications – Chemistry
Modification of antibodies to chemically couple labels or immobilization reagents is essential for developing biosensors. Typically, conjugation occurs through chemical methods that leverage reactive amines and thiols on native antibodies; however, this nonspecific approach can interfere with antibody function. Microbial transglutaminase (mTG) is an enzyme that has been used for site-specific conjugation of chemical modifiers to the Fc region of native antibodies, but thus far mTG-mediated conjugation has been limited to production of antibody-drug conjugates with human IgGs. Here, we assessed the scope and versatility of mTG to target IgGs, with the goal of site-specific conjugation to facilitate oriented …
Investigations Toward A Unified Reaction Pathway Of Thermal And Tbsotf-Mediated Oxidopyrylium-Alkene (5 + 2) Cycloadditions, Adam J. Youman, Samantha N. Rokey, Wentao Guo, Jacob P. Grabowski, Susanna N. Angles, Jacob J. Bulandr, Qing Sun, John R. Goodell, Dean J. Tantillo, T. Andrew Mitchell
Investigations Toward A Unified Reaction Pathway Of Thermal And Tbsotf-Mediated Oxidopyrylium-Alkene (5 + 2) Cycloadditions, Adam J. Youman, Samantha N. Rokey, Wentao Guo, Jacob P. Grabowski, Susanna N. Angles, Jacob J. Bulandr, Qing Sun, John R. Goodell, Dean J. Tantillo, T. Andrew Mitchell
Faculty Publications – Chemistry
Oxidopyrylium-based (5 + 2) cycloadditions are crucial reactions to construct seven-membered carbocycles containing an ether bridge (i.e. oxabicyclo[3.2.1]octanes). Intramolecular silyloxypyrone-based (5 + 2) cycloadditions were investigated and revealed several features: (1) the TBDPS thermal process proceeds via a zwitterionic oxidopyrylium intermediate similar to previously reported TBS variants; (2) the TBSOTf-mediated reaction proceeds through a cationic oxidopyrylium intermediate; (3) quantum chemical calculations predict a stepwise process for an electron-rich dipolarophile for each set of conditions. The thermal silyloxypyrone-based (5 + 2) cycloadditions were extremely dependent on the nature of the dipolarophile and the silyl transfer group. The TBDPS enhances the …
Ordo Ab Chao: Crystallographic Disorder As A Window Into Ionic Liquid Structure, Joseph Cooper, Marija Scheuren, Lara I. Teodoro, Christopher M. Butch, Raychell A. Jerdo, Kylie M. Allen, Mariana E. Toner, Matthias Zeller, Arsalan Mirjafari, Patrick C. Hillesheim
Ordo Ab Chao: Crystallographic Disorder As A Window Into Ionic Liquid Structure, Joseph Cooper, Marija Scheuren, Lara I. Teodoro, Christopher M. Butch, Raychell A. Jerdo, Kylie M. Allen, Mariana E. Toner, Matthias Zeller, Arsalan Mirjafari, Patrick C. Hillesheim
Faculty Publications – Chemistry
Despite being intended to resist crystallization, ionic liquids (ILs) quite frequently form solids, albeit with low melting points. The design motifs that lower melting points can leave measurable signatures in the solid state, manifesting as crystallographic disorder, and often give rise to metastable liquid states. While sometimes treated as experimental complications, such features provide a valuable window into the structural origins of IL phase behavior. Herein, we report a crystallographic study of a series of benzylated ILs that crystallize either directly or from long-lived supercooled melts. Single-crystal X-ray diffraction, supported by computational modeling and statistical analyses, provides structural evidence that …
Asymmetric Synthesis Of The Hiv Protease Inhibitor Tmc-126, A Pmx Antimalarial Protease Inhibitor, And A Putative Covid-19 Inhibitor Using A Highly Stereoselective Glycolate Aldol Addition Reaction Pathway, Kweku Amaning Affram, Austin Carter, April Breede, Alexandra Kimsey, Godson Hemeson, Bader Semakieh, Moses Martinez, Emmanuel Ayim, Joy Odeh, Shawn R. Hitchcock
Asymmetric Synthesis Of The Hiv Protease Inhibitor Tmc-126, A Pmx Antimalarial Protease Inhibitor, And A Putative Covid-19 Inhibitor Using A Highly Stereoselective Glycolate Aldol Addition Reaction Pathway, Kweku Amaning Affram, Austin Carter, April Breede, Alexandra Kimsey, Godson Hemeson, Bader Semakieh, Moses Martinez, Emmanuel Ayim, Joy Odeh, Shawn R. Hitchcock
Faculty Publications – Chemistry
An asymmetric glycolate aldol addition pathway was developed for the synthetic preparation of a series of protease inhibitors based on the hydroxyethylamine structural motif. A single glycolate aldol adduct derived from a highly diastereoselective (≥95:5 d.r.) asymmetric aldol reaction served as the starting point for the synthesis of the inhibitors. The starting material is easily prepared and purified via recrystallization on multigram scales. This work describes the synthesis of the HIV protease inhibitor TMC-126, the Plasmepsin X (PMX) inhibitor 49c for the treatment of malaria, and a computationally derived inhibitor for the 3CLpro of the SARS-CoV-2 from a single common …
De Novo Protein Binding To Zinc Oxide Through Biomineralization Pathways, Jean-Mark A. Francis
De Novo Protein Binding To Zinc Oxide Through Biomineralization Pathways, Jean-Mark A. Francis
Theses and Dissertations
De novo proteins are structurally distinct from proteins found in nature and thus capable of having their amino acid sequence modified to accomplish tasks such as increasing protein-nanoparticle binding without unfolding or decomposing. Zinc Oxide nanoparticles are functionally distinct from their bulk counterparts and are widely used as semiconductors in a variety of fields such as medicine and agriculture. With demand for these nanoparticles increasing, environmentally sustainable methods of Zinc Oxide nanoparticle synthesis are being investigated as an eco-friendly alternative to currently utilized but environmentally hazardous chemical and physical techniques. This research investigates the binding characteristics between Zinc Oxide nanoparticles …
Diverse C–C Bond Formation Reactions Catalyzed By Oxidized Palladium Nanoparticles Supported On Marine Shell Waste Powder Via Additive-Free Deposition–Precipitation, Jian Hou, Garrett M. Milligan, Zhicheng Cai, Jun-Hyun Kim
Diverse C–C Bond Formation Reactions Catalyzed By Oxidized Palladium Nanoparticles Supported On Marine Shell Waste Powder Via Additive-Free Deposition–Precipitation, Jian Hou, Garrett M. Milligan, Zhicheng Cai, Jun-Hyun Kim
Faculty Publications – Chemistry
The formation of carbon-carbon (C–C) bonds is central to modern organic synthesis. Although the use of conventional Pd-ligand complexes as homogeneous catalysts results in highly effective yields, these systems often face some limitations including high cost, difficult recyclability, and thermal stability. Here, we demonstrate the utilization of palladium (Pd)-derived metals supported on finely ground marine shell waste as a reactive and recyclable catalyst for diverse C–C bond-forming reactions. Oyster shell powder (OSP) derived from problematic biowaste, primarily composed of calcium carbonate, provides abundant anchoring sites to immobilize Pd ions via an additive-free deposition–precipitation method, followed by thermally-induced conversion into oxidized …
Additional Information For Fully Anharmonic Ir Spectra Of Neutral Polycyclic Aromatic Hydrocarbons With Up To 38 Carbons, Nolan J. H. White, Vincent J. Esposito, Christiaan Boersma, Louis J. Allamandola, Jesse D. Bregman, Alexandros Maragkoudakis, Pasquale Temi, Ryan C. Fortenberry
Additional Information For Fully Anharmonic Ir Spectra Of Neutral Polycyclic Aromatic Hydrocarbons With Up To 38 Carbons, Nolan J. H. White, Vincent J. Esposito, Christiaan Boersma, Louis J. Allamandola, Jesse D. Bregman, Alexandros Maragkoudakis, Pasquale Temi, Ryan C. Fortenberry
Faculty and Student Publications
Interstellar aromatic infrared band (AIB) spectra are showing strong agreement with presently-computed, anharmonic spectra for various types of polycyclic aromatic hydrocarbons (PAH) determined using a novel semi-empirical quantum chemical method. Since the AIB spectrum is a blend of emission spectra from a vast number of different PAHs, likely with an array of different molecular structures, the spectra for a sample set of 31 PAHs ranging in size from naphthalene (C$_{10}$H$_8$) up to circumbiphenyl (C$_{38}$H$_{16}$) are combined giving consideration to almost all PAH structural motifs. The computed, numerical quartic force fields coupled to second-order vibrational perturbation theory clearly confirm that PAH …
Absolute Quantification And Identification Of Rna From Rna-Lipid Nanoparticles Using High Resolution Mass Spectrometry, Jason C. Funderburk
Absolute Quantification And Identification Of Rna From Rna-Lipid Nanoparticles Using High Resolution Mass Spectrometry, Jason C. Funderburk
Theses and Dissertations
RNA therapeutics are a rising drug category with potential use for a range of conditions encompassing infectious diseases to therapies for cancer, diseases, and genetic disorders. RNA-lipid nanoparticles (RNA-LNPs) are the prominent delivery method for these therapeutics approved products include mRNA vaccines and polyneuropathy treatments. The emergency use authorizations and orphan drug status of current RNA-LNP drugs has allowed approval without finalization of the regulatory analytical procedures for quality monitoring. The objective of the study was to develop an LC-MS assay to simultaneously measure identity and concentration of two therapeutically relevant intact RNA constructs extracted from RNA-LNPs to enhance quality …
Evaluation Of Chromium-Crosslinked Amps-Hpam Copolymer Gels: Effects Of Key Parameters On Gelation Time And Strength, Maryam Sharifi Paroushi, Baojun Bai, Thomas P. Schuman, Yin Zhang, Mingzhen Wei
Evaluation Of Chromium-Crosslinked Amps-Hpam Copolymer Gels: Effects Of Key Parameters On Gelation Time And Strength, Maryam Sharifi Paroushi, Baojun Bai, Thomas P. Schuman, Yin Zhang, Mingzhen Wei
Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works
Controlling CO2 channeling in heterogeneous reservoirs remains a major challenge for both enhanced oil recovery (EOR) and secure geological storage. AMPS-HPAM copolymers exhibit high-temperature resistance and brine tolerance compared with conventional HPAM gels, making them well suited for the harsh environments associated with CO2 injection. Chromium-based crosslinkers (CrAc and CrCl3) were investigated because sulfonic acid groups in AMPS can coordinate with trivalent chromium ions, enabling dual ionic crosslinking and the formation of a robust gel network. While organic crosslinked AMPS-HPAM gels have been widely studied, the behavior of chromium-crosslinked AMPS-containing systems, particularly their gelation kinetics under …
Effect Of Ionic Strength On Gelation Time And Strength Of Amps-Based Polymer Gels, Maryam Sharifi Paroushi, Xuyang Tian, Baojun Bai, Thomas P. Schuman, Yin Zhang, Mingzhen Wei
Effect Of Ionic Strength On Gelation Time And Strength Of Amps-Based Polymer Gels, Maryam Sharifi Paroushi, Xuyang Tian, Baojun Bai, Thomas P. Schuman, Yin Zhang, Mingzhen Wei
Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works
Polymer gel treatment has been widely applied for improving sweep efficiency and controlling excessive water and gas production. Their performance depends on gelation time and final gel strength. In most studies, brine salinity is used to describe the effect of formation water on gel behavior. However, changing salinity also changes ionic strength and ion composition at the same time. Because of this coupling, it is difficult to identify the mechanisms controlling gelation, which has led to inconsistent trends in the literature. Increasing salinity has been reported to either slow or accelerate gelation and to weaken or strengthen gels depending on …
Synthesis And Characterization Of Succinate Dehydrogenase Inhibitors H2/Z14 And C6/Z96 In Order To Combat Small Cell Lung Cancer, Lauren M. Graves
Synthesis And Characterization Of Succinate Dehydrogenase Inhibitors H2/Z14 And C6/Z96 In Order To Combat Small Cell Lung Cancer, Lauren M. Graves
Honors Undergraduate Theses
The use of ubiquinone inhibitors to combat cancer is a recent development in medicinal science and procedures to efficiently synthesize these drugs remain limited. C6/Z96 and H2/Z14, two succinate dehydrogenase inhibitors, have been previously tested in vitro against NSCLC with positive results. Their similarity to ubiquinone is what makes them a strong candidate for a succinate dehydrogenase inhibitor at the ubiquinone binding site. The heterocyclic scaffolds and substituents are proposed to bind strongly through a combination of electronics, hydrogen-bonding, and fit, allowing them to bind well and prove to be more favorable than ubiquinone when competing for the Q-site. By …
Utilizing Coal For Mesophase Pitch-Based Carbon Fiber Production: Precursors, Processes, And Progress, Christina M. Thompson
Utilizing Coal For Mesophase Pitch-Based Carbon Fiber Production: Precursors, Processes, And Progress, Christina M. Thompson
Theses and Dissertations--Chemistry
Graphitic materials possess unique properties due to the unique combination of layered crystalline structure and carbon’s low atomic weight. High performance carbon fiber is one such example, displaying exceptional strength-to-weight ratios, stiffness, and thermal and chemical resistance. These properties render high performance carbon fiber a critical structural reinforcement material in the manufacture of composites across various industries, such as for automotive and aerospace applications. However, balancing fiber performance with precursor and processing costs remains a challenge. As alternative carbonaceous feedstocks are explored, coal has gained interest for utilization in graphitic products as a relatively abundant and low-cost source of aromatic …
Elucidating The Impacts Of Non-Covalent Interactions In Organic Materials Through A Multiscale Computational Approach, Sashen A. Ruhunage
Elucidating The Impacts Of Non-Covalent Interactions In Organic Materials Through A Multiscale Computational Approach, Sashen A. Ruhunage
Theses and Dissertations--Chemistry
Noncovalent interactions (NCIs) in π-conjugated organic materials serve as tunable levers that influence molecular structure and intermolecular interactions in the condensed phase and, in turn, impact the electronic, optical, and mechanical properties of these materials. NCIs include attractive dispersion, electrostatic, and induction interactions, as well as repulsive exchange interactions. However, how to design materials with NCI considerations remains an open question across many fields. Here, we seek to provide an electronic and atomistic perspective on these interactions through multiscale simulations to aid materials design, processing, and performance optimization. In this study, we investigate NCIs and their effects across various systems …
Student Familiarity With The Periodic Table Of The Elements: Results From Cued-Recall And Eye-Tracking Assessments On Memory, Victor A. Okuo
Student Familiarity With The Periodic Table Of The Elements: Results From Cued-Recall And Eye-Tracking Assessments On Memory, Victor A. Okuo
Theses and Dissertations--Chemistry
Learning element symbol–name associations and the spatial organization of elements on the periodic table is a foundational step in learning chemistry, supporting later understanding of chemical formulas, equations, bonding, and stoichiometry. Although students often rely on memorization strategies to learn periodic table content, this task is challenging due to the large number of elements and the apparent ambiguity in matching some element symbols to their names.
This study explores students’ recall of element names when given element symbols as cues and their knowledge of element locations on the periodic table when given element names as cues. The study also examines …
Application Of Paper Spray Mass Spectrometry For Screening Acetylcholinesterase Inhibitors, Diksha Gautam
Application Of Paper Spray Mass Spectrometry For Screening Acetylcholinesterase Inhibitors, Diksha Gautam
Graduate Research Theses & Dissertations
Paper spray mass spectrometry (PS-MS) is a novel ambient ionization method that allows chemical and biological samples to be rapidly analyzed with little preparation being required. In this paper, PS-MS was set up and streamlined as an acetylcholinesterase (AChE)-monitoring platform in addition to screening an existing and newly produced AChE-inhibitors. The detection of the substrate, acetylcholine (m/z 146), and the AChE catalysis product, choline (m/z 104) was performed without applying chromatographic separation or derivatization to the dried paper substrates. Assay conditions were optimized in a systematic way, to develop a robust MS-compatible enzymatic workflow.
Calibration curves for both, acetylcholine and …
Crispr-Cas9 Unleashed: Gene-Slicing Adventures In The Cancer Battlefield, Shivakuma Sonnaila, Shilpi Agrawal
Crispr-Cas9 Unleashed: Gene-Slicing Adventures In The Cancer Battlefield, Shivakuma Sonnaila, Shilpi Agrawal
Chemistry & Biochemistry Faculty Publications and Presentations
Cancer, a global health menace, continues to pose significant challenges in terms of incidence and mortality, necessitating innovative therapeutic strategies. Despite existing treatments, the limitations persist, prompting a quest for novel approaches. The emergence of immunotherapy marked a transformative era in solid tumor treatments, yet its efficacy is constrained by adverse effects. Concurrently, the integration of advanced technologies into cancer treatment explores the vast potential residing at the molecular level through gene analysis and manipulation. This review articulates the role of state-of-the-art genome editing technology, notably clustered regularly interspaced short palindromic repeats (CRISPR-Cas9), in overcoming the constraints of immunotherapy for …
Engineering Electrospun Pvdf Nanofibers For Next-Generation Wearable Bioelectronics, Reshmi Banerjee, Gymama Slaughter
Engineering Electrospun Pvdf Nanofibers For Next-Generation Wearable Bioelectronics, Reshmi Banerjee, Gymama Slaughter
Center for Bioelectronics Publications
Electrospun poly(vinylidene fluoride) (PVDF) and P(VDF-TrFE) nanofibers offer a mechanically flexible, high-surface-area platform for wearable bioelectronics, including piezoelectric sensing and self-powered operation. This review establishes a process–structure–property–performance framework for engineering electrospun PVDF- and P(VDF-TrFE)-based wearable systems. Relationships amongst precursor composition, electrospinning parameters, fiber morphology and alignment, crystalline phase formation, dipole orientation, and device-level piezoelectric performance are examined. Electrospinning is compared with other established fabrication methods including solution casting, spin coating, melt processing, phase inversion, and printing in terms of electroactive β-phase fraction, flexibility, scalability, manufacturing complexity, cost, and wearable-device suitability. Device architectures and performance are evaluated across pressure and strain …
Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran
Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran
Electronic Theses & Dissertations (2024 - present)
Anion exchange membrane water electrolysis (AEMWE) presents a promising pathway toward cost-effective and sustainable hydrogen production by integrating the chemical robustness of alkaline systems with the compact, zero-gap design of proton exchange membrane electrolyzers. However, the widespread implementation of AEMWE is limited by the availability of highly active and durable platinum-group-metal (PGM)-free catalysts and by an incomplete understanding of their degradation behavior under realistic operating conditions.
This dissertation focuses on the development, characterization, and mechanistic investigation of nanostructured MoNi4–MoO2-based electrodes for efficient and stable hydrogen generation under alkaline and membrane-integrated environments. MoNi4–MoO2 nanorods …
Corannulene: Optimized Synthesis And Four-Fold Reduction, Guy Rozenman
Corannulene: Optimized Synthesis And Four-Fold Reduction, Guy Rozenman
Electronic Theses & Dissertations (2024 - present)
Corannulene is a bowl-shaped π-conjugated fragment of the ball-shaped C60-fullerene that undergoes stepwise multielectron reduction and can accept four electrons to form the aromatic tetraanion, C₂₀H₁₀⁴⁻. Prior literature has established this charge state in donor-solvated alkali-metal assemblies: early solution studies identified the formation of the tetraanion under lithium reduction in THF, and later X-ray diffraction crystallography demonstrated a triple-decker lithium sandwich in which two corannulene tetraanion decks encapsulate five Li⁺ ions. The central objective of this thesis is to determine whether the corannulene tetraanion can instead be isolated as a bulk solvent-free alkali-metal salt containing only corannulene and …