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Articles 811 - 840 of 33132
Full-Text Articles in Chemistry
Molecular Architecture And Mechanical Response In Polymeric Materials: Thin Films, Linear-Ring Elastomers, And Lignin, Siteng Zhang
Molecular Architecture And Mechanical Response In Polymeric Materials: Thin Films, Linear-Ring Elastomers, And Lignin, Siteng Zhang
Theses and Dissertations
Understanding the mechanical behavior of polymeric materials is critical to advancing modern technologies, from flexible electronics to sustainable adhesives. This dissertation investigates the micromechanics of polymer thin films, dual-network elastomers, and bio-based lignin materials, with an emphasis on deformation mechanisms, network topology, and mechanical properties. The work combines principles of polymer physics with materials science to uncover structure–property relationships that inform polymer design. This dissertation primarily uses coarse-grained and atomistic molecular dynamics simulations to investigate molecular-scale behavior beyond experimental reach. Through these methods, critical insights are gained into how entanglement, topology, and chain architecture govern bulk material performance. The first …
Bioelectrochemical Systems: Prioritizing Energy Density, Long-Term Stability, And Validation, Luana C.I. Faria, Steffane Q. Nascimento, Filipe C.D.A. Lima, Graziela C. Sedenho, Thiago Bertaglia, Rodrigo M. Iost, João C.P. De Souza, Senentxu Lanceros-Méndez, Shelley D. Minteer, Serge Cosnier, Ariel L. Furst, Frank N. Crespilho
Bioelectrochemical Systems: Prioritizing Energy Density, Long-Term Stability, And Validation, Luana C.I. Faria, Steffane Q. Nascimento, Filipe C.D.A. Lima, Graziela C. Sedenho, Thiago Bertaglia, Rodrigo M. Iost, João C.P. De Souza, Senentxu Lanceros-Méndez, Shelley D. Minteer, Serge Cosnier, Ariel L. Furst, Frank N. Crespilho
Chemistry Faculty Research & Creative Works
Pioneering work in bioelectrochemistry, particularly the employing of yeast cells to generate electrical current, had substantially favored the comprehension of bio electrochemical reactions. This foundational research has boosted the development of bio electrochemical systems (BES), which are significant for sustainable energy solutions. BES technologies, such as biobatteries, bio supercapacitors, and enzymatic and microbial biofuel cells, harness organic and biological systems to provide environmentally friendly alternatives for energy storage and conversion. Despite their potential, these technologies face challenges in achieving competitive energy densities and long-term stability compared to traditional accumulators and converters. Here, we introduce a new Ragone plot for BES, …
Structural Evolution Of Nitrogenase Over 3 Billion Years, Bruno Cuevas Zuviría, Franka Detemple, Kaustubh Amritkar, Amanda K. Garcia, Lance Seefeldt, Betül Kaçar
Structural Evolution Of Nitrogenase Over 3 Billion Years, Bruno Cuevas Zuviría, Franka Detemple, Kaustubh Amritkar, Amanda K. Garcia, Lance Seefeldt, Betül Kaçar
Chemistry and Biochemistry Faculty Publications
Previously, we identified the only dinitrogen reduction mechanism known to date as an ancient feature conserved from nitrogenase ancestors, which we directly tested by resurrecting and integrating synthetic ancestral nitrogenases into the genome of Azotobacter vinelandii (Garcia et al., 2023), a genetically tractable, nitrogen-fixing model bacterium. Here, we extend this paleomolecular approach to investigate the structural evolution of nitrogenase over billions of years of evolution by combining phylogenetics, ancestral sequence reconstruction, protein crystallography, and deep-learning based predictions. This study reveals that nitrogenase, while maintaining a conserved multimeric core, evolved novel modular features aligned with major environmental transitions, suggesting that subtle …
An Adaptive Force Matching Potential For Alanine Developed With Møller-Plesset Perturbation Theory And Smooth Fourier Transform Correction Map, Ying Yuan, Feng Wang
An Adaptive Force Matching Potential For Alanine Developed With Møller-Plesset Perturbation Theory And Smooth Fourier Transform Correction Map, Ying Yuan, Feng Wang
Chemistry & Biochemistry Faculty Publications and Presentations
Developing accurate force fields for biomolecules remains a significant challenge due to the subtle energetic differences between various conformational states. We present a novel force field model for polyalanine, ALAMP2_25, developed using adaptive force matching (AFM) with M & oslash;ller-Plesset perturbation theory at the second order (MP2) as the reference method. By fitting smaller model compounds and transferring parameters to larger peptides, we overcome the limitations of traditional AFM approaches and enable the use of more accurate electronic structure methods. The ALAMP2_25 model incorporates a new correction scheme, Smooth Fourier Transform-based phi, psi correction map (SFT-CMAP), which efficiently describes phi, …
Controlling Properties Of Pmaa Multilayer Hydrogel Microparticles Through Network Structure, Daniel Inman
Controlling Properties Of Pmaa Multilayer Hydrogel Microparticles Through Network Structure, Daniel Inman
All ETDs from UAB
Advancements in the fabrication of “smart” stimuli responsive hydrogel microparti-cles have been pivotal in their optimization for applications. The responsiveness of hydro-gel networks to external stimuli enhances the intrinsic properties of hydrogels to increase functionality. Through layer-by-layer assembly, the internal composition, network struc-ture, and surface chemistry of multilayer hydrogels can be directly controlled to introduce new and unique properties. Applicable to a wide variety of shapes and sizes; hydrogel mi-croparticles are versatile for biological interactions, such as, cellular internalization, tissue regeneration, biosensors, and more. Thus, this dissertation will discuss the synthesis of shaped pH-responsive hydrogel microparticles and the investigation of …
Mechanistic Rationale For Toxic Aerosol Formation From Vaping And Dabbing With A Focus On Ketene Formation From Semi-Synthetic Cannabinoids, Kaelas Ryan Munger
Mechanistic Rationale For Toxic Aerosol Formation From Vaping And Dabbing With A Focus On Ketene Formation From Semi-Synthetic Cannabinoids, Kaelas Ryan Munger
Dissertations and Theses
Cannabis vaping is a relatively new route of administration that is increasingly common among youth and young adults. Cannabis vaping has been associated with cases of acute lung injury, especially among youth, and most often involves the heating and aerosolization of high-potency products having cannabinoid concentrations of ~ 50 % - 98 % w/w. Proponents argue that vaping is safer than smoking due to the characteristically lower temperatures and fewer plant materials. However, the extreme cannabinoid concentrations, along with non-natural formulations having undisclosed additives, require studies of the health effects of these products. Despite the popularity of cannabis concentrate vaping, …
A Comparison Of Shear Bond Strength Of Denture Teeth To Denture Base Using Different Means Of Retention: An In Vitro Pilot Study, Dima Taha El Baba, Paul Boulos
A Comparison Of Shear Bond Strength Of Denture Teeth To Denture Base Using Different Means Of Retention: An In Vitro Pilot Study, Dima Taha El Baba, Paul Boulos
International Arab Journal of Dentistry
Objectives: The objective of this work is to evaluate the shear bond strength between denture base resin and three different acrylic artificial denture teeth. The latter was subjected to three different surface modifications on the ridge lap area and compared to unmodified acrylic artificial denture teeth.
Methods: In this experimental in vitro study, twenty-four maxillary central incisor acrylic teeth were used from each of three manufacturers; namely Major®, Ivoclar® and Myerson®. The teeth were additionally divided into four test groups with six specimens in each: a control group, a chemical retention group, a mechanical retention group, and a …
An Experiment In Electron Paramagnetic Resonance Spectroscopy For Undergraduate Labs In Physical Chemistry Or Physical Biochemistry, Evan A. Old, Matthew C. Rehak, Jefferson C. Thompson, Herbert J. Sipe Jr.
An Experiment In Electron Paramagnetic Resonance Spectroscopy For Undergraduate Labs In Physical Chemistry Or Physical Biochemistry, Evan A. Old, Matthew C. Rehak, Jefferson C. Thompson, Herbert J. Sipe Jr.
TeachEPR Submissions
We report a biochemically based EPR experiment for undergraduate laboratories that will serve as instruction for learning EPR sample preparation, spectral observation, and spectral analysis. There is a current lack of EPR instructional experiments that present complex spectra in which computational analysis may be required. The biochemical oxidation system of horse radish peroxidase (HRP) activated by H2O2 acts on 2,6-di-t-butyl-4-hydroxyanisole (DTBHA) to form phenoxyl radicals. This experiment produces moderately complex spectra of moderately long-lived radicals using relatively small amounts of readily available reactants. Spectrum analysis and simulation is accomplished using software freely available on-line. If desired, EPR …
Data From: Nek4 Suppresses Cell Proliferation In Bt20 Triple-Negative Breast Cancer Cells By Diminishing Expression Of Cell Cycle Genes, While Its Depletion Mitigates Proliferation In Other Cell Lines, Amanda Ashley
Chemistry & Biochemistry: Datasets
No abstract provided.
The Next Frontier In The Study Of Noncovalent Bonding: Transition Metals, Steve Scheiner
The Next Frontier In The Study Of Noncovalent Bonding: Transition Metals, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
As work continues unabated in the study of noncovalent bonding, particularly σ-hole bonds, new challenges have emerged as the participation of transition metals in interactions of this sort is fast becoming appreciated. While there are certain similarities with the halogen, chalcogen, etc, bonds, in which the main group elements participate, there are certain unique properties of these metal atoms that must be analyzed before a complete understanding can be attained. As one example, these atoms tend to act simultaneously as both electron donors and acceptors, a synergistic action that amplifies the overall bond strength. Ideas are expressed in this paper …
The Influence Of Defects: Oxidation Of Non-Planar Transition Metal Model Catalysts, Maxwell Gillum
The Influence Of Defects: Oxidation Of Non-Planar Transition Metal Model Catalysts, Maxwell Gillum
Dissertations
Metal-catalyzed oxidation reactions are a major application of heterogeneous catalysis and are a widely applied synthetic route for the production of chemicals and reagents essential to modern society. However, as the intricacies of heterogeneous surface catalysis are slowly being unraveled, minute details of the catalytic environment have been revealed to play outsized roles in the catalytic activity of the surface. The experiments herein further investigate the interplay between surface geometry and the formation oxygen-induced surface structures. Understanding how defects influence surface reactivity is a necessary step in gaining the ability to accurately model heterogeneous catalytic environments. Two different aspects of …
High-Capacity, Reversible, And Energy-Efficient Water Vapor Sorption By Hierarchical Micro-To-Macroporous Carbon Aerogels From Polybenzoxazine And Polybenzodiazine, Vaibhav A. Edlabadkar, Rushi U. Soni, Stephen Y. Owusu, A. B.M.Shaheen Ud Doulah, Nicholas Leventis, Chariklia Sotiriou-Leventis
High-Capacity, Reversible, And Energy-Efficient Water Vapor Sorption By Hierarchical Micro-To-Macroporous Carbon Aerogels From Polybenzoxazine And Polybenzodiazine, Vaibhav A. Edlabadkar, Rushi U. Soni, Stephen Y. Owusu, A. B.M.Shaheen Ud Doulah, Nicholas Leventis, Chariklia Sotiriou-Leventis
Chemistry Faculty Research & Creative Works
Quantitative, reversible water vapor sorption is in rising demand for applications ranging from home appliances to atmospheric water harvesting. However, most sorbents suffer from low water-uptake capacities, nonreusability, and especially high regeneration temperatures. This study addresses this challenge by introducing polybenzoxazine- (PBO) and polybenzodiazine-derived (PBDAZ) carbon aerogels as reversible high-capacity desiccants. PBO and PBDAZ aerogels were prepared from structurally related monomers via HCl-catalyzed ring opening polymerization. Both types of aerogels were first aromatized at 200–240 °C under air or O2 and then were carbonized at 800 °C under Ar. These as-prepared carbon aerogels were further etched at 1000 °C under …
Regioselective C-Allylation Of Indole With Potassium Allyltrifluoroborate In The Presence Of Pd-Catalyst, Milton Kumar Kundu
Regioselective C-Allylation Of Indole With Potassium Allyltrifluoroborate In The Presence Of Pd-Catalyst, Milton Kumar Kundu
Tennessee State University Alumni Theses and Dissertations
Indole is a versatile heterocyclic scaffold renowned for its wide range of pharmacological activities and strong potential as a successful drug candidate. These attributes continue to inspire researchers to explore indole derivatives as promising leads in drug development. In this project, we report the development of a cross-coupling reaction of indoles and potassium allyltrifluoroborate to the corresponding 3-allylindoles in the presence of PdCl2(dtbpf) and PdCl2(dppf)CH2Cl2 catalyst under microwave heating, offering a rapid, regioselective, and high-yielding synthetic route. This methodology provides a valuable platform for generating structurally diverse indole-based compounds, which could serve as promising leads for further pharmacological evaluation and …
Synergetic Adsorptive Mechanisms, Reusability And Cost Evaluations Of Green Fabricated Hybrid Barium Cobalt Nanocomposites For Methylene Blue And Lead Removal From Wastewater, Titus Chinedu Egbosiuba, Chibuike Christogonus Njoku, Ijeoma Jacinta Ani, Godwin Ifeanyi Ogbuehi, Abdulkareem Omeiza Yusuf, Abiodun Azeez Saka, Ugochukwu Ewuzie, Ebuka Emmanuel Ezennajiego, Blessing Onyinye Okafor, Walter Chibuike Anene, Cecilia Chika Unegbu, Florence Acha, Monday Uchenna Okoronkwo
Synergetic Adsorptive Mechanisms, Reusability And Cost Evaluations Of Green Fabricated Hybrid Barium Cobalt Nanocomposites For Methylene Blue And Lead Removal From Wastewater, Titus Chinedu Egbosiuba, Chibuike Christogonus Njoku, Ijeoma Jacinta Ani, Godwin Ifeanyi Ogbuehi, Abdulkareem Omeiza Yusuf, Abiodun Azeez Saka, Ugochukwu Ewuzie, Ebuka Emmanuel Ezennajiego, Blessing Onyinye Okafor, Walter Chibuike Anene, Cecilia Chika Unegbu, Florence Acha, Monday Uchenna Okoronkwo
Chemical and Biochemical Engineering Faculty Research & Creative Works
Barium nanoparticles (BaNPs), cobalt nanoparticles (CoNPs), and hybrid barium-cobalt nanocomposites (BaCoNCs) were synthesized using an eco-friendly green technique with Anacardium occidentale leaf extract for sequestration of methylene blue (MB) dye and lead (Pb (II)) ions from industrial wastewater. The nanoparticles and nanocomposites were characterized using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), high-resolution scanning electron microscopy (HRSEM), and Brunauer-Emmett-Teller (BET) analysis to assess their functional groups, crystalline structure, morphology, and surface properties, confirming successful synthesis. Batch adsorption studies showed that optimal pollutant removal occurred at pH values of 8 for MB and 5 for Pb(II), with a contact time …
Root Exudates: The Rhizospheric Frontier For Advancing Sustainable Plant Protection, Muhammad Rahil Afzal, Misbah Naz, Youbo Yu, Lisha Yan, Peiyi Wang, Janaki Mohotti, Gefei Hao, Jing-Jiang Zhou, Zhou Chen, Libo Zhang, Qian Wang
Root Exudates: The Rhizospheric Frontier For Advancing Sustainable Plant Protection, Muhammad Rahil Afzal, Misbah Naz, Youbo Yu, Lisha Yan, Peiyi Wang, Janaki Mohotti, Gefei Hao, Jing-Jiang Zhou, Zhou Chen, Libo Zhang, Qian Wang
Faculty Publications
Root exudates (REs), a diverse array of bioactive metabolites secreted by plant roots in response to environmental stimuli, serve as key mediators of rhizosphere ecology and plant defense responses, offering a promising avenue for sustainable pest management and eco-friendly plant protection. While earlier reviews primarily focus on root exudates in the context of general rhizosphere dynamics and plant-microbial interactions, critical knowledge gaps persist in REs-plant-pest tripartite interactions, the mechanistic basis of REs-mediated plant defense, and their practical integration with integrated pest management (IPM) frameworks. This review provides a synthesis of the latest literature on the biochemical diversity and functions of …
Characterizing The Excited States And Electronic Absorption Spectra Of Small Alkylperoxy (Ro2•) And Hydroperoxy (•Qooh) Radicals, Lily M. Guidry, Sofia E. Guidry, Tanima Barua, Barbara Marchetti, Michael F. Vansco, Tolga N.V. Karsili
Characterizing The Excited States And Electronic Absorption Spectra Of Small Alkylperoxy (Ro2•) And Hydroperoxy (•Qooh) Radicals, Lily M. Guidry, Sofia E. Guidry, Tanima Barua, Barbara Marchetti, Michael F. Vansco, Tolga N.V. Karsili
Chemistry
Organic peroxy (ROO•) and hydroperoxy (•QOOH) radicals are key reactive intermediates that are formed via the oxidation of volatile organic compounds during combustion or in the Earth’s atmosphere. Their primary fate is continued unimolecular decay or bimolecular chemistry, the relative branching for which is heavily structure- and temperature-dependent. This article outlines a combined single- and multi-reference quantum chemical study to characterize the near-UV accessible electronically excited states of the prototypical ROO• and •QOOH intermediates, tert-butyl peroxy and hydroperoxy-tert-butyl radicals—the ground-state chemistries of which have been well studied both experimentally and computationally. Additionally, we simulate the electronic absorption profiles of these …
Cysteine Oxidation Of A Redox Hub Within Complex I Can Facilitate Electron Transport Chain Supercomplex Formation, Runtai Chen, Seyed Amirhossein Tabatabaei Dakhili, Rokas Gerulskis, Yuan Yuan Zhao, Steven Lockhart, Lusine Tonoyan, Arno G. Siraki, Guocheng Huang, Adam Kinnaird, Darren H. Freed, Shelley D. Minteer, Evangelos D. Michelakis, John R. Ussher
Cysteine Oxidation Of A Redox Hub Within Complex I Can Facilitate Electron Transport Chain Supercomplex Formation, Runtai Chen, Seyed Amirhossein Tabatabaei Dakhili, Rokas Gerulskis, Yuan Yuan Zhao, Steven Lockhart, Lusine Tonoyan, Arno G. Siraki, Guocheng Huang, Adam Kinnaird, Darren H. Freed, Shelley D. Minteer, Evangelos D. Michelakis, John R. Ussher
Chemistry Faculty Research & Creative Works
The mitochondrial electron transport chain (ETC) is a four complex unit that could be considered the most essential infrastructure within the mitochondria, as it primarily functions to generate the mitochondrial membrane potential (ΔΨm), which can then be utilized for ATP synthesis or heat production. Another important aspect of ETC function is the generation of mitochondrial reactive oxygen species (mtROS), which are essential physiologic signaling mediators that can be toxic to the cell if their levels become too high. Currently, it remains unresolved how a highly utilized and functioning ETC can sense excessive mtROS generation and adapt, to enhance ΔΨm. Here, …
Comprehensive Review Of In Vitro Approaches For Environmental Heavy Metal Exposure, Manas Warke, Madeline English, Camila Padilla, Lexie Gasco, Wendy Leisner, Rupali Datta, Smitha Rao
Comprehensive Review Of In Vitro Approaches For Environmental Heavy Metal Exposure, Manas Warke, Madeline English, Camila Padilla, Lexie Gasco, Wendy Leisner, Rupali Datta, Smitha Rao
Michigan Tech Publications
Heavy metals are ubiquitous environmental pollutants, contaminating air, soil, and water via the erosion of natural deposits, as well as originating from anthropogenic sources, such as agriculture, industries, transportation, and landfills. The increasing utilization of heavy metals over the years, combined with the persistent nature of metals in the environment poses a direct threat to human and environment health. Although regulatory limits have been established for toxic metals, assessing the associated health risks using real-life exposure scenarios remains challenging. In this review, we summarize the development and use of in vitro models based two- and three-dimensional cell culture systems, focusing …
Quantification Of Terpenes In Various Commercial Cannabis Products By Gas Chromatography-Flame Ionization Detection And Gas Chromatography-Mass Spectrometry, Kaitlyn M. Ignaszak
Quantification Of Terpenes In Various Commercial Cannabis Products By Gas Chromatography-Flame Ionization Detection And Gas Chromatography-Mass Spectrometry, Kaitlyn M. Ignaszak
Forensic Science Master's Projects
The goal of this research project was to identify and quantify the terpenes in five commercial cannabis products (dried bud, kief, two tinctures, and a pain cream) using gas chromatography-flame ionization detection (GC-FID) and gas chromatography-mass spectrometry (GC-MS). Terpene identification and quantification were conducted using GC-MS and GC-FID, with a standard sample containing 21 terpenes of known concentrations. To determine the most effective extraction conditions, three organic solvents (ethanol, acetonitrile, and ethyl acetate) were employed. Additionally, the effects of extraction time on terpene yield were investigated by analyzing aliquots collected at five different time intervals, ranging from one hour to …
Pd-Catalyzed Microwave Irradiated Cross-Coupling Of Carboxylic Acids And Amino Alcohols., Md Shahin Reza
Pd-Catalyzed Microwave Irradiated Cross-Coupling Of Carboxylic Acids And Amino Alcohols., Md Shahin Reza
Tennessee State University Alumni Theses and Dissertations
Amino esters are valuable pharmaceutical intermediates with anesthetic properties and applications as prodrugs. In this study, we have developed a new microwave-assisted method for the cross-coupling of aromatic carboxylic acids with amino alcohol using a palladium catalyst. This approach has enabled an efficient synthesis of amino esters, overcoming challenges such as side reactions and product separation.
Linking Core Concepts And Competencies In General Chemistry Via Gowin’S Theory Of Learning And Vee Heuristic, Vijay Vyas, Scott A. Reid
Linking Core Concepts And Competencies In General Chemistry Via Gowin’S Theory Of Learning And Vee Heuristic, Vijay Vyas, Scott A. Reid
Chemistry Faculty Research and Publications
The content in introductory science courses has often been criticized as “miles wide and inches deep”. In general chemistry, several revisions have focused on framing around a set of core or anchoring concepts, and we recently adapted the anchoring concepts content map (ACCM) of the American Chemical Society (ACS) to develop an anchoring concept-based curriculum for our general chemistry courses. In this article, we describe efforts to connect this curriculum with laboratory learning using Gowin’s theory of learning and the associated knowledge Vee heuristic. Within this framework, the laboratories themselves become events connecting the conceptual and methodological domains, …
On The Chlorobenzene-Ammonia Cluster Reaction: Entrance Channel Dynamics, 2cr2pi Spectroscopy, And Ion Imaging Of The Reaction Dynamics, Ronald Mutete, Damian Kokkin, Natan Fessahaye, Thomas R. Howell, Richard A. Loomis, Scott A. Reid
On The Chlorobenzene-Ammonia Cluster Reaction: Entrance Channel Dynamics, 2cr2pi Spectroscopy, And Ion Imaging Of The Reaction Dynamics, Ronald Mutete, Damian Kokkin, Natan Fessahaye, Thomas R. Howell, Richard A. Loomis, Scott A. Reid
Chemistry Faculty Research and Publications
Prior studies of halobenzene–ammonia complexes have shown that the nature of the cationic intermediate (i.e., Wheland-type vs ion-radical) may play a key role in determining the reaction products. To probe this link, we report here the reaction dynamics of the chlorobenzene-ammonia 1:1 complex (PhCl···NH3) using product ion imaging following two-color resonant two-photon ionization. A threshold value of 8.863 ± 0.008 eV was determined for the appearance of protonated aniline, which accompanies Cl atom loss and is the dominant product channel at energies near threshold. Scanning down to energies close to threshold, we find no evidence for a roaming …
The Role Of Water In Peptide Behavior And Peptide-Based Water-Responsive Crystals, Janel Jannette Rivera Cancel
The Role Of Water In Peptide Behavior And Peptide-Based Water-Responsive Crystals, Janel Jannette Rivera Cancel
Dissertations, Theses, and Capstone Projects
Water plays a crucial role in shaping the behavior and function of biomolecules across the liquid, supercooled, and glassy states. This thesis presents a dual approach combining computational simulations and experimental investigations to explore the influence of water on biomolecular systems, particularly peptide-based materials. We employ molecular dynamics simulations to study the hydration-dependent structural dynamics of homopolymer peptides. Simulations were carried out across a range of temperatures and pressures to analyze changes in hydration and structural stability, shedding light on the behavior of peptides under supercooled and glassy conditions. These studies are especially relevant for understanding biomolecular stability in cryopreservation. …
Validation And Proposed Expansion Of The Data-Driven D Region Model, Kevin M. Watson
Validation And Proposed Expansion Of The Data-Driven D Region Model, Kevin M. Watson
Theses and Dissertations
Predicting ionosphere effects on radio wave propagation is critical for communications and over-the-horizon radar systems. The D region is challenging to model for several reasons, one of which is chemical complexity. Ion density changes during sunrise/sunset introduce substantial uncertainty in electron density profiles (EDPs). The Data Driven D Region (D3R) model solves electron densities through an ion chemistry model and assimilates relevant space weather inputs. This study evaluates D3R against the Faraday International Reference Ionosphere (FIRI) and measurements using Very Low Frequency (VLF) propagation paths. Space weather event impacts on D3R EDPs are evaluated during the disturbed period from 8-12 …
Bodipy-Based Photocages For The Controlled Release Of Hydrogen Sulfide And Persulfides, Yanmei Li
Bodipy-Based Photocages For The Controlled Release Of Hydrogen Sulfide And Persulfides, Yanmei Li
Dissertations
Reactive sulfur species (RSS) such as hydrogen sulfide (H2S) and hydropersulfides (RSSH) are crucial mediators in a variety of physiological and pathological processes. Their regulatory roles span from maintaining cellular redox balance to influencing signaling pathways critical for homeostasis and stress responses. This dissertation investigates H2S and RSSH as biologically important molecules and explores the development of boron-dipyrromethene (BODIPY)-based photocages for its controlled, light-triggered release. Given H2S and RSSH's critical role in redox regulation and cellular protection, achieving spatiotemporal control over its delivery is essential for both therapeutic and research applications. BODIPY scaffolds offer favorable photophysical properties, including visible-light activation …
Development And Implementation Of Novel Mass Spectrometric Methods For Metabolism Studies In Drug Discoveries, Huifang Yao
Development And Implementation Of Novel Mass Spectrometric Methods For Metabolism Studies In Drug Discoveries, Huifang Yao
Dissertations
The field of drug discovery has evolved significantly over the past few decades, with a growing emphasis on understanding the metabolic pathways and biotransformation processes that influence the pharmacokinetics and pharmacodynamics of drug candidates. Novel mass spectrometric methods have emerged as powerful tools in this domain, facilitating the comprehensive analysis of metabolic profiles and enabling the identification of metabolites with implications for safety, efficacy, and overall drug development. However, challenges remain in quantifying metabolic flux—an essential aspect of understanding drug action—particularly due to the limitations of traditional isotope kinetic assays, which often involve lengthy sample preparation and the use of …
Low-Cost Cutaneous Protoporphyrin Ix (Ppix) Detection (Cpd) Device For Follow-Up Monitoring Of Patients After Photodynamic Therapy, Md Asaduzzaman Rasel
Low-Cost Cutaneous Protoporphyrin Ix (Ppix) Detection (Cpd) Device For Follow-Up Monitoring Of Patients After Photodynamic Therapy, Md Asaduzzaman Rasel
Graduate Masters Theses
Background: Photodynamic Therapy (PDT) utilizes specific wavelengths of light to activate photosensitizing chemical compounds, known as photosensitizers, which induce the generation of cytotoxic reactive oxygen species (ROS) for the targeted destruction of cancer cells. Among various photosensitizers for PDT, Protoporphyrin IX (PpIX) is widely employed in oncology and dermatology due to its natural in situ generation via the metabolic conversion of 5- aminolevulinic acid (ALA), a non-phototoxic prodrug. Systemic administration of ALA after 3-6 hr drug delay leads to peak PpIX accumulation in tissues, facilitating therapeutic and diagnostic applications. However, PpIX can persist in the skin for 24–48 hours post-treatment, …
Effect Of Seasonal Variability In Methane Emissions And Iron Redox Chemistry At Terrestrial-Aquatic Interfaces, Hermes C. Ruiz
Effect Of Seasonal Variability In Methane Emissions And Iron Redox Chemistry At Terrestrial-Aquatic Interfaces, Hermes C. Ruiz
Master's Theses
Methane (CH₄) emissions at terrestrial–aquatic interfaces (TAIs) are significant contributors to the global carbon budget, yet the mechanisms driving methanogenesis remain poorly understood. Limited data exist on how seasonal variations and redox processes influence CH₄ fluxes in these dynamic ecosystems. This study addressed two questions: (1) How are CH₄ fluxes in riverine floodplains and adjacent hillslopes impacted by seasonal variations? (2) What roles do metal redox processes (e.g., iron (Fe)) play in regulating methanogenesis?
In-situ CH₄ flux and solid-phase Fe speciation were quantified in East River, CO, under flooded and drained conditions. Groundwater chemistry, gas flux, and soil physical properties …
Molecular Dynamics Simulations Of Liposomes: Structure, Dynamics, And Applications, Ehsan Khodadadi, Ehsaneh Khodadadi, Parth Chaturvedi, Mahmoud Moradi
Molecular Dynamics Simulations Of Liposomes: Structure, Dynamics, And Applications, Ehsan Khodadadi, Ehsaneh Khodadadi, Parth Chaturvedi, Mahmoud Moradi
Chemistry & Biochemistry Faculty Publications and Presentations
Liposomes are nanoscale, spherical vesicles composed of phospholipid bilayers, typically ranging from 50 to 200 nm in diameter. Their unique ability to encapsulate both hydrophilic and hydrophobic molecules makes them powerful nanocarriers for drug delivery, diagnostics, and vaccine formulations. Several FDA-approved formulations such as Doxil (R) (Baxter Healthcare Corporation, Deerfield, IL, USA), AmBisome (R) (Gilead Sciences, Inc., Foster City, CA, USA), and Onivyde (R) (Ipsen Biopharmaceuticals, Inc., Basking Ridge, NJ, USA) highlight their clinical significance. This review provides a comprehensive synthesis of how molecular dynamics (MD) simulations, particularly coarse-grained (CG) and atomistic approaches, advance our understanding of liposomal membranes. We …
Superhydrophilic Porous Coooh Nano-Architecture With Abundant Oxygen Vacancies For Enhanced Urea Electrooxidation At Ampere-Level Current Densities, Wen-Jing Lv, Xiao-Man Tang, Xue-Tong Wang, Wen-Cai Liu, Jian-Wen Zhu, Guo-Jing Wang, Yuan-Zhi Zhu
Superhydrophilic Porous Coooh Nano-Architecture With Abundant Oxygen Vacancies For Enhanced Urea Electrooxidation At Ampere-Level Current Densities, Wen-Jing Lv, Xiao-Man Tang, Xue-Tong Wang, Wen-Cai Liu, Jian-Wen Zhu, Guo-Jing Wang, Yuan-Zhi Zhu
Journal of Electrochemistry
The conversion of urea-containing wastewater into clean hydrogen energy has gained increasing attention. However, challenges remain, particularly with sluggish catalytic kinetics and limited long-term stability of urea oxidation reaction (UOR). Herein, we report the loosely porous CoOOH nano-architecture (CoOOH LPNAs) with hydrophilic surface and abundant oxygen vacancies (Ov) on carbon fiber paper (CFP) by electrochemical reconstruction of the CoP nanoneedles precursor. The resulting three-dimensional electrode exhibited an impressively low potential of 1.38 V at 1000 mA·cm−2 and excellent durability for UOR. Furthermore, when tested in an anion exchange membrane (AEM) electrolyzer, it required only 1.53 V at …