Physical Sciences and Mathematics Commons^™

Validation Of A Method For Pantoprazole And Its Sulfone Metabolite In Goat Plasma Using High Performance Liquid Chromatography, Sherry Cox, Lainey Harvill, Sarah Bullock, Joseph Smith, Joan Bergman

Faculty Publications and Other Works -- Large Animal Clinical Sciences

No abstract provided.

Discovery Of Two Inhibitors Of The Type Iv Pilus Assembly Atpase Pilb As Potential Antivirulence Compounds, Keane J. Dye, Nancy J. Vogelaar, Megan O'Hara, Pablo Sobrado, Webster Santos, Paul R. Carlier, Zhaomin Yang

Chemistry Faculty Research & Creative Works

With the pressing antibiotic resistance pandemic, Anti virulence has been increasingly explored as an alternative strategy against bacterial infections. The bacterial type IV pilus (T4P) is a well-documented virulence factor and an attractive target for small molecules for Anti virulence purposes. The PilB ATPase is essential for T4P biogenesis because it catalyzes the assembly of monomeric pilins into the polymeric pilus filament. Here, we describe the identification of two PilB inhibitors by a high-throughput screen (HTS) in vitro and their validation as effective inhibitors of T4P assembly in vivo. We used Chloracidobacterium thermophilum PilB as a model enzyme to optimize …

Impact Of The Choice Of Acidic Buffers On The Electrochemical Reduction Of Hexavalent Chromium In Water, Devin D. Meche

Honors Theses

No abstract provided.

A Novel Ibuprofen Derivative And Its Complexes: Physicochemical Characterization, Dft Modeling, Docking, In Vitro Anti-Inflammatory Studies, And Dna Interaction, Abbas M. Abbas, Ahmed Aboelmagd, Safaa M. Kishk, Hossam H. Nasrallah, W. Christropher Boyd, Haitham F. Kalil, Adel S. Orabi

Chemistry Faculty Publications

A novel derivative of ibuprofen and salicylaldehyde N '-(4-hydroxybenzylidene)-2-(4-isobutylphenyl) propane hydrazide (HL) was synthesized, followed by its complexation with Cu, Ni, Co, Gd, and Sm. The compounds obtained were characterized by (HNMR)-H-1, mass spectrometry, UV-Vis spectroscopy, FT-IR spectroscopy, thermal analysis (DTA and TGA), conductivity measurements, and magnetic susceptibility measurements. The results indicate that the complexes formed were [Cu(L)(H2O)]Cl center dot 2H(2)O, [Ni(L)(2)], [Co(L)(2)]center dot H2O, [Gd(L)(2)(H2O)(2)](NO3)center dot 2H(2)O and [Sm(L)(2)(H2O)(2)](NO3)center dot 2H(2)O. The surface characteristics of the produced compounds were evaluated by DFT calculations using the MOE environment. The docking was performed against the COX2 targeting protein (PDB code: 5IKT …

Modified Titani Derived From Ti – Oxo Clusters: Synthesis, Structure, And Photocatalytic Activity, Fatmah Rashed Ali Alkindi

Theses

Titanium dioxide (TiO₂), an important semiconductor, has been used in various applications ranging from sunblock additives to self-cleaning window coatings, antibacterial agents, photovoltaics, and photocatalysis. Due to its photostability, TiO₂ is an extensively used semiconductor photocatalyst in many industries. This thesis represents the synthesis, structure, and photocatalytic activity of TiO₂ (Anatase) photocatalyst, which was prepared using hexanuclear titanium-oxo cluster precursor via temperature-controlled calcination. The optical property of the prepared photocatalyst was investigated using UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), powder X-ray diffraction (PXRD) for phase determination, scanning electron microscopy (SEM) for morphology and structural analysis, Brunauer−Emmett−Teller …

Polymer Mimetics For Soil Modeling And Detection Of Biomarkers, Md Ragib Hasan

LSU Doctoral Dissertations

The population of the world is increasing day by day and is expected to reach 9.8 billion by the year 2050. The ever-increasing demand for agricultural products is putting an unprecedented strain on the world's soils as the human population continues to expand. Soil degradation caused by over-farming and the agrochemicals (fertilizers, pesticides, etc.) used in agriculture is a growing problem, although its causes remain murky. In addition, little is understood about the molecular-level interactions of substances that are subsequently introduced to soils, such as agricultural chemicals (ACs). Therefore, it is expected that these constraints may be circumvented by the …

Thermal Degradation Of Erythritol, Sudheendra Gamoji

Physics

The Insulated Solar Electric Cooker (ISEC) is a double walled Aluminum pot with a resistive heater directly connected to a solar panel whose goal is to create and disseminate cheap solar cookers in rural areas that primarily rely on biomass for cooking. Phase Change Materials (PCMs) like Erythritol, a sugar substitute, take a tremendous amount of energy to melt, and when they solidify they release the energy. Through the use of PCMs, the ISECs will produce enough heat to cook food even after the sun sets. However, PCMs like Erythritol degrade over repeated heat exposure, so the purpose of this …

Labeling Microplastics With Fluorescent Dyes For Detection, Recovery, And Degradation Experiments, Zhiqiang Gao, Kendall Wontor, James V. Cizdziel

Faculty and Student Publications

Staining microplastics (MPs) for fluorescence detection has been widely applied in MP analyses. However, there is a lack of standardized staining procedures and conditions, with different researchers using different dye concentrations, solvents, incubation times, and staining temperatures. Moreover, with the limited types and morphologies of commercially available MPs, a simple and optimized approach to making fluorescent MPs is needed. In this study, 4 different textile dyes, along with Nile red dye for comparison, are used to stain 17 different polymers under various conditions to optimize the staining procedure. The MPs included both virgin and naturally weathered polymers with different sizes …

Synthesis And Characterization Of Unique Pyridazines, William Hobbs

Senior Honors Theses

The field of semiconductive organic chemistry is vast and expanding as numerous applications are being discovered for semiconductors. The research reported in this thesis focuses on the synthesis and characterization of three pyridazines. Pyridazines are organic heterocyclic aromatic semiconductors containing nitrogen and are planar in structure. The three pyridazine compounds were successfully isolated as evidenced by a high percent yield and then characterized by melting point and infrared spectroscopy. The research goal was achieved as a small library of pyridazines was compiled to be further analyzed concerning their potential within various applications in the electronic and industrial world.

Design Of Possible Organic Photovoltaic Compounds And Their Initial Computational Assessment, Albert Ochoa Castillo, Joshua Smith

IdeaFest: Interdisciplinary Journal of Creative Works and Research from Cal Poly Humboldt

The excessive use of fossil fuels has surged the need for alternative energy sources, such as solar energy. Organic photovoltaic (OPV) cells can potentially be an alternative to silicon solar cells. OPV compounds are carbon-based and use organic electronics as a semiconductor to produce electricity from the sun. There is a large interest in OPV cells because they are strong absorbers and come at a low cost of synthesis. Herein, possible OPV compounds were designed, and theoretical computations were done to assess their efficiency. Density Functional Theory was used to calculate the HOMO-LUMO gap of the compounds designed. Semiconductors such …

Concentration Of Heavy Metals In Three Distinct Algae Families From Humboldt County, California, Kodiak E. Miller, Caleb J. Strait, Jacob I. Begorre, Brittney L. Mitchell, Claire P. Till

IdeaFest: Interdisciplinary Journal of Creative Works and Research from Cal Poly Humboldt

Anthropogenic impacts on marine environments can impact metal fluxes and concentrations available to marine species. Monitoring these impacts is necessary to better understand the interactions between the biotic and abiotic components of these ecosystems and mitigate the risk posed by harmful toxins introduced by human activities. Biomoniters, like macroscopic algae, are useful indicators that illuminate the bioaccumulation of toxins commonly introduced from anthropogenic activity. With this in mind, the concentrations of heavy metals zinc (Zn), nickel (Ni), and copper (Cu) were analyzed via the assessment of algae (Representatives from Ulva, Mastocarpus, Fucus) in two sites in Humboldt County: …

Conformational Dynamics And Aggregation Of Thermally Stressed Proteins Studied By Hydrogen/Deuterium Exchange Mass Spectrometry, Nastaran Nosrat Tajoddin

Electronic Thesis and Dissertation Repository

Proteins perform various biological functions, e.g., as enzymes or transporters. In addition to naturally occurring proteins, the use of protein therapeutic drugs for treating cancer and other diseases is a rapidly growing area. A thorough biophysical characterization of proteins and protein therapeutics opens the door to a more comprehensive understanding of their role in health and disease. This dissertation aims to expand the capabilities of an existing technique (Hydrogen Deuterium Exchange Mass Spectrometry, HDX-MS), which is widely used for probing protein structure and dynamics. Conventionally, HDX-MS experiments are performed as a function of labelling time. Here we aim to establish …

Further Comments On "Engineering Shape Anisotropy Of Fe3o4-Γ-Fe2o3hollow Nanoparticles For Magnetic Hyperthermia", Fernande Grandjean, Gary J. Long

Chemistry Faculty Research & Creative Works

In their earlier paper, Niraula et al. (ACS Appl. Nano Mater. 2021, 4, 3148-3158) described the morphological, compositional, and magnetic properties of three different magnetite/maghemite or Fe₃O₄/γ-Fe₂O₃, hollow nanoparticles, referred to herein as nanorings, short-nanotubes, and long-nanotubes. Scanning electron microscopy indicates that these nanoparticles have lengths of 275 ± 51, 411 ± 92, and 515 ± 98 nm and outer diameters of 201 ± 55, 251 ± 46, and 229 ± 42 nm, respectively, dimensions that are all rather similar in view of their distributions, as is shown in a figure herein. …

Recent Advances In Computational Study And Design Of Mof Catalysts For Co2 Conversion, Haoyuan Chen

Chemistry Faculty Publications and Presentations

Catalytic conversion of the greenhouse gas CO2 into value-added chemicals and fuels is highly beneficial to the environment, the economy, and the global energy supply. Metal–organic frameworks (MOFs) are promising catalysts for this purpose due to their uniquely high structural and chemical tunability. In the catalyst discovery process, computational chemistry has emerged as an essential tool as it can not only aid in the interpretation of experimental observations but also provide atomistic-level insights into the catalytic mechanism. This Mini Review summarizes recent computational studies on MOF-catalyzed CO2 conversion through different types of reactions, discusses about the usage of various computational …

Novel Thioglycosides As Versatile Glycosyl Donors For Oligosaccharide Synthesis, Ganesh Shrestha

Dissertations

This thesis is dedicated to the development of new methodologies for efficient synthesis of carbohydrate building blocks and their application to chemical glycosylation. S-Indolyl (SIn) anomeric moiety was investigated as a new leaving group. Understanding of the reaction pathways for the SIn moiety activation was achieved via the extended mechanistic study. The activation profile of indolylthio glycosides required large excess of activators. This drawback was partially addressed by the development of N-alkylated SInR derivatives. The activation process was studied by NMR and the increased understanding of the mechanism led to a discovery of different activation pathways taking place with …

Catalytic Effect Of Disordered Ru-O Configurations For Electrochemical Hydrogen Evolution, Xue Sun, Ya-Jie Song, Ren-Long Li, Jia-Jun Wang

Journal of Electrochemistry

Phase engineering is considered as an effective method for modulating the electronic structure and catalytic activity of catalysts. The disordered conformation of amorphous materials allows flexible reforming of the surface electronic structure, showing their attractiveness as catalysts for hydrogen evolution reaction (HER). Herein, we designed and developed an amorphous ruthenium dioxide (a-RuO₂) catalyst with a disordered Ru-O configuration. The conformational relationship between Ru-O ordering and HER performance is established by combining advanced electron microscopic techniques with detailed electrochemical tests. Specifically, the disordered Ru-O coordination significantly enhanced the HER catalytic activity in both acidic and alkaline media, ultimately leading …

Alkaline Seawater Electrolysis At Industrial Level:Recent Progress And Perspective, Tao Zhang, Yi-Pu Liu, Qi-Tong Ye, Hong-Jin Fan

Journal of Electrochemistry

Industrial hydrogen generation through water splitting, powered by renewable energy such as solar, wind and marine, paves a potential way for energy and environment sustainability. However, state-of-the-art electrolysis using high purity water as hydrogen source at an industrial level would bring about crisis of freshwater resource. Seawater splitting provides a practical path to solve potable water shortage, but still faces great challenges for large-scale industrial operation. Here we summarize recent developments in seawater splitting, covering general mechanisms, design criteria for electrodes, and industrial electrolyzer for direct seawater splitting. Multi-objective optimization methods to address the key challenges of active sites, reaction …

A Self-Supported Ru-Cu3P Catalyst Toward Alkaline Hydrogen Evolution, Zi-Xuan Wan, Chao-Hui Wang, Xiong-Wu Kang

Journal of Electrochemistry

Transition metal phosphide (TMP) is a kind of effective catalysts toward hydrogen evolution reaction (HER) in alkaline electrolytes. However, the performance of TMP catalysts is strongly limited by water splitting. In this work, we developed a method to prepare a copper foam (CF) supported Ru-doped Cu₃P catalyst (Ru-Cu₃P/CF) by a consecutive growth of Cu(OH)₂ nanoarrays, soaking in RuCl₃ solution and phosphorization. A large surface area was obtained by the self-supported catalysts with the appropriative Ru doping. As an excellent HER catalyst, it exhibited a low overpotential of 95.6 mV at a current density of …

Electrochemical Syntheses Of Nanomaterials And Small Molecules For Electrolytic Hydrogen Production, Jia-Qi Wei, Xiao-Dong Chen, Shu-Zhou Li

Journal of Electrochemistry

Hydrogen is a clean, efficient, renewable energy resource and the most promising alternative to fossil fuels for future carbon-neutral energy supply. Therefore, sustainable hydrogen production is highly attractive and urgently demanded, especially via water electrolysis that has clean, abundant precursors and zero emission. However, current water electrolysis is hindered by the sluggish kinetics and low cost/energy efficiency of both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). In this regard, electrochemical synthesis offers prospects to raise the efficiency and benefit of water electrolysis by fabricating advanced electrocatalysts and providing more efficient/value-adding co-electrolysis alternatives. It is an eco-friendly and facile …

Alkaline Water Electrolysis For Efficient Hydrogen Production, Wen-Fu Xie, Ming-Fei Shao

Journal of Electrochemistry

Hydrogen production from water electrolysis is a sustainable and environmentally benign strategy in comparison with fossil fuel-based hydrogen. However, this promising technique suffers from the high energy consumption and unsatisfactory cost due to the sluggish kinetics of both half reaction and inferior stability of electrocatalysts. To address this challenge, herein, we present a timely and comprehensive review on advances in alkaline water electrolysis that is already commercialized for large scale hydrogen production. The design principles and strategies with aiming to promote the performance of hydrogen generation are discussed from the view of electrocatalyst, electrode, reaction and system. The challenges and …

Sialidase Inhibitors With Different Mechanisms, Joseph M. Keil, Garrett R. Rafn, Isaac M. Turan, Majdi A. Aljohani, Reza Sahebjam-Atabaki, Xue-Long Sun

Chemistry Faculty Publications

Sialidases, or neuraminidases, are enzymes that catalyze the hydrolysis of sialic acid (Sia)-containing molecules, mostly removal of the terminal Sia (desialylation). By desialylation, sialidase can modulate the functionality of the target compound and is thus often involved in biological pathways. Inhibition of sialidases with inhibitors is an important approach for under-standing sialidase function and the underlying mechanisms and could serve as a therapeutic approach as well. Transition-state analogues, such as anti-influenza drugs oseltamivir and zanamivir, are major sialidase inhibitors. In addition, difluoro-sialic acids were developed as mechanism-based sialidase inhibitors. Further, fluorinated quinone methide-based suicide substrates were reported. Sialidase product analogue …

Influence Of Surface Water Displacement On Solvation Thermodynamics, Mia Kim

Journal of the South Carolina Academy of Science

No abstract provided.

Measurement In Chemistry, Mathematics, And Physics Education: Student Explanations Of Organic Chemistry Reaction Mechanisms And Instructional Practices In Introductory Courses, Brandon J. Yik

USF Tampa Graduate Theses and Dissertations

The work in this dissertation is presented in two parts. The first part (Chapters 3 and 4) details work relating to students’ explanations of reaction mechanisms in organic chemistry. The second part (Chapters 5 and 6) details work relating to the evaluating the uptake of research-based instructional practices in introductory chemistry, mathematics, and physics courses.

To evaluate learning of organic chemistry reactions, instructors must ask students to construct written explanations of reaction mechanisms. Written assessments should focus on what is happening and why it is happening to promote deeper student understanding. However, for instructors to gain insight into students’ understanding, …

On Airborne Tire Wear Particles Along Roads With Different Traffic Characteristics Using Passive Sampling And Optical Microscopy, Single Particle Sem/Edx, And Μ-Atr-Ftir Analyses, Zhiqiang Gao, James V. Cizdziel, Kendall Wontor, Carly Clisham, Kaylea Focia, Juanita Rausch, David Jaramillo-Vogel

Faculty and Student Publications

Tire wear particles (TWPs) are a major category of microplastic pollution produced by friction between tires and road surfaces. This non-exhaust particulate matter (PM) is transported through the air and with runoff leading to environmental pollution and health concerns. Here, we collected airborne PM along paved roads with different traffic volumes and speeds using Sigma-2 passive samplers. Particles entering the samplers deposit onto substrates for analysis, or, as we modified it, directly into small (60 ml) separatory funnels, which is particularly useful with high particle loads, where a density separation aids in isolating the microplastics. We quantified putative TWPs (∼10–80 …

The Coordination Chemistry And Reactivity Of Pd Phosphine 1-Azaallyl Complexes, Kyle M. Jackman

Electronic Thesis and Dissertation Repository

Structurally responsive ligands (SRLs) are a class of ligands that change their coordination mode with a metal centre, which permits reactions that are difficult with non-SRLs, allow access to unique mechanisms, and allow isolation of unusual coordination complexes. The 1-azaallyl (1-AzA) family of SRLs are capable of isomerizing between η³-NCC and κ¹-N modes that occupy two and one coordination sites, respectively. This thesis investigates a new class of phosphine 1^AzA (P^AzA) ligands and the reactivity of their coordination complexes with palladium.

The first-generation P^AzA ligand contains a phenyl linkage between the two heteroatoms and affords a …

Effects Of Cannabinoids On Ligand-Gated Ion Channels, Murat Oz, Keun-Hang Susan Yang, Mohamed Omer Mahgoub

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Phytocannabinoids such as Δ⁹-tetrahydrocannabinol and cannabidiol, endocannabinoids such as N-arachidonoylethanolamine (anandamide) and 2-arachidonoylglycerol, and synthetic cannabinoids such as CP47,497 and JWH-018 constitute major groups of structurally diverse cannabinoids. Along with these cannabinoids, CB1 and CB2 cannabinoid receptors and enzymes involved in synthesis and degradation of endocannabinoids comprise the major components of the cannabinoid system. Although, cannabinoid receptors are known to be involved in anti-convulsant, anti-nociceptive, anti-psychotic, anti-emetic, and anti-oxidant effects of cannabinoids, in recent years, an increasing number of studies suggest that, at pharmacologically relevant concentrations, these compounds interact with several molecular targets including G-protein coupled receptors, ion …

Characterization Of 1d And 2d Materials With Tip-Enhanced Raman Spectroscopy, María Olivia Avilés

Electronic Thesis and Dissertation Repository

Carbon-based materials, such as 1D single-walled carbon nanotubes (SWCNT) or 2D graphene, are promising materials for a variety of applications in energy storage, biosensors, and medical imaging applications. Similarly, beyond graphene, 2D transition metal dichalcogenides (TDM) that can have either a metallic or semiconducting character have gained interest for potential applications in electronics and photonics. Specifically, metallic TMDs such as vanadium disulfide (VS₂) show potential applications in optoelectronics and lithium-ion batteries. On the other hand, semiconducting TDMs like tungsten disulfide (WS₂) show a direct band gap, making them interesting for photovoltaic applications, transistors, or photodetectors. The …

Synthesis Of Novel Dna-Binding Polyamides To Prevent Cancer-Related Gene Overexpression, Huy Q. Nguyen

Dissertations

Pyrrole-imidazole polyamides (PIPs) are nanomolecular compounds designed to fit in the tight space of DNA minor grooves. As analogs of Netropsin and Distamycin A, PIPs are specifically designed to recognize the base pairs of DNA sequences. PIPs have many biological applications, such as regulating gene expression, biochemistry pathway regulations, and suppressing the development of cancer cells. SETMAR gene is the chimeric fusion of the SET domain with the mariner transposase. Its protein (Metnase) has functions involving DNA repairs in the NHEJ pathway, regulating gene expression, DNA decatenation, etc. Despite not having an active transposable element, SETMAR still has an unknown …

Fine Tuning The Pore Surface In Zirconium Metal−Organic Frameworks For Selective Ethane/Ethylene Separation, Yuchen Hu, Yanshu Shi, Yi Xie, Rebecca Shu Hui Khoo, Christian Fiankor, Xu Zhang,, Banglin Chen, Jian Zhang

Chemistry Department: Faculty Publications

Ethylene is an important chemical feedstock for production of polymers and high-value organic chemicals, and yet its conventional purification process is plagued with high consumption of energy. Metal−organic frameworks (MOFs) provide a suitable adsorption platform for selective ethane/ ethylene separation thanks to their structural diversity, tunable pore characteristics, designable pore sizes, and high pore volumes. Although there are empirical design rules like avoiding open metal sites and creating nonpolar pore surfaces for development of adsorptive MOFs, it is still challenging to design robust MOFs that can realize direct ethane-selective separation. Herein, we systematically designed and synthesized three Zr-MOFs based on …

Origin Of The Second-Order Proton Catalysis Of Ferriin Reduction In Belousov-Zhabotinsky Reactions: Density Functional Studies Of Ferroin And Ferriin Aggregates With Outer Sphere Ligands Sulfate, Bisulfate, And Sulfuric Acid, Sara C. Mccauley, Rainer Glaser

Chemistry Faculty Research & Creative Works

The detailed mechanisms of Belousov-Zhabotinsky oscillating reactions continue to present grand challenges, even after half a century of study. The origin of the pH dependence of the oscillation pattern had never been rigorously identified. In our recent kinetic study of one of the key Belousov-Zhabotinsky reactions, the iron-catalyzed bromate oxidation of malonic acid, compelling agreement between experiments and kinetic simulations was achieved only with the inclusion of second-order proton catalysis of the reduction of the [Fe(phen)₃]³⁺ species. After exhausting all other avenues in search of an explanation of this proton catalysis, we considered the possibility that the …