Chemistry Commons^™

Functionalized Gold Nanoparticles For Sensing Of Pesticides: A Review, Wei-Bin Tseng, Ming-Mu Hsieh, Che-Hsie Chen, Tai-Chia Chiu, Wei-Lung Tseng

Journal of Food and Drug Analysis

Pesticides are a family of non-biodegradable chemical compounds which widely used in agriculture to control pests and increase yield production. However, overuse or abuse of pesticides and their metabolites may cause potential toxicity for the environment as well as human health and all other living organisms, even at deficient concentrations. Consequently, the development of sensors for monitoring these compounds is significant. Recently, nanoparticles-based sensors have been extensively employed as a potential alternative or complementary analytical tool to conventional detection methods for pesticides. Among them, gold nanoparticles (AuNPs) owing to their unique optical properties have been developed as smart sensors with …

Fluorescence Spectroscopic And Molecular Modelling Studies On The Molecular Interaction Mechanism Of Bromodeoxyuridine With Human Serum Albumin, Amira Adlin Roslan

Student Works (2020-2029)

The interaction of a nucleoside analogue, bromodeoxyuridine (BrdU) with human serum albumin (HSA) was studied to investigate the binding phenomenon and analyze the protein conformation upon BrdU binding. Multiple spectroscopic techniques, viz. intrinsic and three-dimensional (3-D) fluorescence, ultraviolet-visible (UV-Vis) absorption and circular dichroism (CD) spectroscopy along with molecular docking were used. A decrease in the Stern-Volmer constant (Ksv) with the increase in temperature suggested BrdU-induced quenching of protein fluorescence as static quenching and thus implied BrdU−HSA complex formation. This was also supported by UV-Vis absorption spectral results, showing hyperchromism in the absorption spectrum of HSA upon BrdU addition. Intermediate binding …

A Library Of Low Molecular Weight Fluorescent Probes For The Detection Of Cu(Ii) And Fe(Iii) Ions, Ashley Johnson

Dissertations

This dissertation reports the synthesis and photophysical properties of a family of rhodamine dyes (compounds 3.9-3.13 and 4.6). The rhodamine dyes are prepared in two steps, and fully characterized by ESI-MS (Low and High resolution), X-Ray crystallography, NMR spectroscopy, and FT-IR spectroscopy. The coordination environment of the low molecular weight fluorescent probes (LMFPs) was systematically changed to investigate the thermodynamic behavior between the LMFPs and an array of metal ions (Cu²⁺, Fe²⁺, and Hg²⁺ ions) in protic and aprotic solvent systems. Upon coordinating to metal ions, the π-conjugation of the LMFPs changed, resulting in …

Practical Adhesion Measurements In Organic Coatings; Advancing Understanding And Mechanical Methods Development, Diana Gottschalk

Dissertations

“Adhesion” can be considered either a mechanical or chemical phenomenon. The mechanical interpretation describes the difficulty of separating surfaces and is useful for quantifying performance within applications that depend on bulk and interfacial properties. Chemical adhesion describes interfacial resistance to chemical attack and does not depend on bulk properties. Predicting chemical failure through mechanical measurement is confounded by the influence of bulk properties. However, the prospect is attractive because of the robust tolerance for sample geometries, allowing experiments to resemble an end-use system. The present work's primary goal was to elevate mechanical methods to provide a detailed interfacial characterization of …

The Circadian Clock—A Molecular Tool For Survival In Cyanobacteria, Pyonghwa Kim, Manpreet Kaur, Hye-In Jang, Yongick Kim

Chemistry Faculty Research

Cyanobacteria are photosynthetic organisms that are known to be responsible for oxygenating Earth’s early atmosphere. Having evolved to ensure optimal survival in the periodic light/dark cycle on this planet, their genetic codes are packed with various tools, including a sophisticated biological timekeeping system. Among the cyanobacteria is Synechococcus elongatus PCC 7942, the simplest clock-harboring organism with a powerful genetic tool that enabled the identification of its intricate timekeeping mechanism. The three central oscillator proteins—KaiA, KaiB, and KaiC—drive the 24 h cyclic gene expression rhythm of cyanobacteria, and the “ticking” of the oscillator can be reconstituted inside a test tube just …

Electrochemical And Photoelectrochemical Properties Of Oxide And Chalcogenide Semiconductors, Farinaz Firouzan

Chemistry & Biochemistry Dissertations - Archive

Photoelectrochemical (PEC) water splitting via inorganic semiconductors has shown interest in technical applications such as harvesting sunlight as sustainable fuels. Chalcogen-based (S, Se, Te) semiconductors are important in numerous technology applications especially related to photovoltaic solar conversion, fuel cells, hydrogen generation etc. On the other hand, oxide semiconductors are great candidates due to their unique properties namely electrolyte stability, a wide range of bandgaps and easy access. In this vein, we investigated the quaternary metal chalcogenide, Ca(La1−xCex)2S4 (0 ≤ x ≤ 1) photoelectrochemical behavior in an aqueous redox electrolyte. These solid solution series were synthesized in Prof. Macaluso’s laboratory by …

1,9,10-Substituted Phenothiazine Derivatives With Strained Radical Cations And Use Thereof, Susan A. Odom, Chad Risko, Matthew D. Casselman, Corrine F. Elliott, Nuwan Harsha Attanayake, Subrahmanyam Modekrutti

Chemistry Faculty Patents

Compounds for use in a rechargeable battery are provided, including a compound according to the formula: (see patent for the formula)

wherein R₁ and R₉ are independently selected from the group consisting of H, alkyl, aryl, perfluoroaryl, perfluoroalkyl, alkylaryl, alkoxyaryl, alkylcarboxyl, aryl carbonyl, haloalkyl, perfluoroalkyl, glycols, haloaryl, a negative electrolyte, and a polymer, so long as when R₁ is H, R₉ is not H; and R₁₀ is selected from the group consisting of methyl, alkyl, aryl, alkylaryl, alkoxyaryl, alkylcarboxyl, aryl carbonyl, haloalkyl, perfluoroalkyl, perfluoroaryl, glycols, haloaryl, an oligomer, and a polymer.

Eelgrass (Zostera Marina) Population Decline In Morro Bay, Ca: A Meta-Analysis Of Herbicide Application In San Luis Obispo County And Morro Bay Watershed, Tyler King Sinnott

Master's Theses

The endemic eelgrass (Zostera marina) community of Morro Bay Estuary, located on the central coast of California, has experienced an estimated decline of 95% in occupied area (reduction of 344 acres to 20 acres) from 2008 to 2017 for reasons that are not yet definitively clear. One possible driver of degradation that has yet to be investigated is the role of herbicides from agricultural fields in the watershed that feeds into the estuary. Thus, the primary research goal of this project was to better understand temporal and spatial trends of herbicide use within the context of San Luis …

Hypervalent Iodine Compounds With Halogen-Containing And Phosphinate Ligands, Yakun Cao

Chemistry Theses and Dissertations

In modern organic chemistry, hypervalent (HV) iodine(III) compounds have been used widely as oxidizing agents but applications of λ³-iodanes in polymer and material chemistry is still underexplored. In the first project, a new series of heterocyclic HV iodine(III) compounds with I–Cl bonds and various substituents at the N atom were synthesized and successfully employed in the synthesis of highly branched polymers when added to mixtures of styrene and 1,4-divinylbenzene containing 10–80 mol% of the divinyl crosslinker, or even pure crosslinker. HV iodine(III) also can be utilized for polymer modification. HV iodine(III) compounds with fluorine-containing ligands (F, CF_{3 …}

Development Of Hplc Stationary Phases With Unique Selectivities And Introduction Of Molecular Rotational Resonance Spectroscopy In Gas Chromatography, Nimisha Thakur

Chemistry & Biochemistry Dissertations - Archive

This thesis contributes to advancing liquid and gas chromatography by introducing new stationary phases for HPLC and a new hyphenated GC technique. In the first section, new pH stable stationary phases based on geopolymers are presented for applications in liquid chromatography. The first-ever synthesis of micron-sized spherical particles of geopolymers, customized to be used as HPLC stationary phases, is reported. Complete material characterization of geopolymers using X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, laser diffraction, and porosimetry is shown. The chromatographic evaluation of geopolymers is done by comparing parameters such as hydrophilicity, ion exchange selectivity, efficiency, hydrolytic stability, and …

Chapter 1.2: Visualization Of Buffer Capacity With 3-D Topos: Buffer Ridges, Equivalence Point Canyons And Dilution Ramps, Garon C. Smith, Md Mainul Hossain

Water Topos: A 3-D Trend Surface Approach to Viewing and Teaching Aqueous Equilibrium Chemistry

The BufCap TOPOS software generates 3-D topographic surfaces for acid-base equilibrium studies that portray pH and buffer capacity behavior during titration and dilution procedures. Topo surfaces are created by plotting computed pH and buffer capacity values above a composition grid with volume of NaOH as the x-axis and overall system dilution as the y-axis. What emerge are surface features that correspond to pH and buffer behaviors in aqueous solutions. Topo surfaces are created for pH, log buffer capacity and linear buffer capacity. Equivalence point breaks become pH cliffs and logarithmic buffer capacity canyons that grow shallower with dilution. …

Nerve Response To Superelastic Shape Memory Polyurethane Aerogels, Martina Rodriguez Sala, Omar Skalli, Nicholas Leventis, Firouzeh Sabri

Chemistry Faculty Research & Creative Works

We have previously shown the suitability of aerogels as scaffolds for neuronal cells. Here, we report on the use of super elastic shape memory polyurethane aerogels (SSMPA). SSMPA have a distinctly different stiffness than previously reported aerogels. The soft and deformable nature of SSMPA allowed for radial compression of the aerogel induced by a custom designed apparatus. This radial compression changed the pore diameter and surface roughness (Sa) of SSMPA, while maintaining similar stiffness. Two varieties of SSMPA were used, Mix-14 and Mix-18, with distinctly different pore diameters and Sa. Radial compression led to a decreased pore diameter, which, in …

Developments Of Machine Learning Potentials For Atomistic Simulations, Howard Yanxon

UNLV Theses, Dissertations, Professional Papers, and Capstones

Atomistic modeling methods such as molecular dynamics play important roles in investigating time-dependent physical and chemical processes at the microscopic level. In the simulations, energy and forces, sometimes including stress tensor, need to be recalculated iteratively as the atomic configuration evolves. Consequently, atomistic simulations crucially depend on the accuracy of the underlying potential energy surface. Modern quantum mechanical modeling based on density functional theory can consistently generate an accurate description of the potential energy surface. In most cases, molecular dynamics simulations based on density functional theory suffer from highly demanding computational costs. On the other hand, atomistic simulations based on …

Observed Defects Of Swiss Cheese Based On The Microbiome Contribution To The Production Of Organic Acids, Vannessa D. Campfield

Boise State University Theses and Dissertations

The United States Department of Agriculture downgrades on the order of 17% of all Swiss cheese produced in the United States due to defects. Many of these defects are related to improper eye formation, number, distribution, or size; leading to an industry loss of over $69 million per annum. The microbiome in Swiss-type cheeses plays a significant role in eye development due to production of organic acids and gaseous emissions contingent on bacterial abundance and phenotype. The relationship between bacteria and the organic acids they produce leading to Swiss cheese defects can be correlated using Next-generation sequencing and high-performance liquid …

Design And Synthesis Of Novel No-Drug Hybrid Compound And Green Catalytic Activity Evaluation Of Synthesized Silver Nanoparticles-Halloysite Nanocomposite, Majed Abdullah Bajaber

LSU New Orleans Theses and Dissertations

Acetaminophen is a well-known analgesic that can manage pain and reduce fever. SCP-1 is a derivative of acetaminophen that showed significantly reduced hepatotoxicity and nephrotoxicity comparative to acetaminophen. Nitric oxides have been well known to play a key role in a wide variety of physiological and pathophysiological important processes. It was therefore of interest to synthesize a nitric oxide donor linked to SCP-1 that could have enhanced analgesic and antipyretic activity. A furoxan CAS 1609 as NO-donor was synthesized and linked to SCP-1 successfully. The furoxan CAS 1609 was initially synthesized from tetronic acid to give 1,2- dioxime in 86 …

Strain Control Of Layer-Resolved Negative Capacitance In Superlattices, Raymond Walter, Sergey Prosandeev, Charles Paillard, L. Bellaiche

Physics Faculty Publications and Presentations

Negative capacitance in BaTiO₃/SrTiO₃ superlattices is investigated by Monte Carlo simulations in an atomistic effective Hamiltonian model, using fluctuation formulas for responses to the local macroscopic field that incorporates depolarizing fields. We show that epitaxial strain can tune the negative capacitance of the BaTiO₃ ferroelectric layer and the overall capacitance of the system. In addition, we predict and explain an original switching of the negative capacitance from the BaTiO₃ layer to the SrTiO₃ layer at low temperatures for intermediate strains.

Design, Synthesis And Application Of Janus Gold Nanoprisms For Directed Self-Assembly., Md. Emtias Chowdhury

Electronic Theses and Dissertations

Colloidal Janus particles that possess more than one type of surface chemistry or functionalities have drawn significant interest due to their enormous potential in bottom-up synthetic strategies for complex superstructures. Moreover, the property of molecular recognition, tunability, and predictability of the DNA-mediated interactions enable a high degree of control over particle assembly to generate highly ordered nanostructures with emergent applications. In this dissertation, we present our works on the synthesis of Janus particles from anisotropic gold nanoprisms, and DNA- mediated assembly of nanoprisms and polymer beads in four major areas: 1) Facet selective asymmetric functionalization of gold nanoprisms for Janus …

Clarity On Cronbach’S Alpha Use, Jack Barbera, Nicole Naibert, Regis Komperda, Thomas C. Pentecost

Chemistry Faculty Publications and Presentations

The Cronbach’s alpha (α) statistic is regularly reported in science education studies. However, recent reviews have noted that it is not well-understood. Therefore, this commentary provides additional clarity regarding the language used when describing and interpreting alpha and other estimates of reliability.

The Dmap-Catalyzed Acylation Of Alcohol -- A Mechanistic Study, Tania Veronica Alvarez Castro

Theses and Dissertations

The mechanistic studies of Acylation of Alcohols catalyzed by 4-(N,N- Dimethyl-amino)-pyridine (DMAP) has been heavily studied in the literature. This reaction has attracted considerable interest from the synthetic and mechanistic points of view in recent years. In this research, the acylation of alcohols is prepared from cyclohexanol and acetic anhydride that is catalyzed by DMAP using triethyl amine (NEt3) as the auxiliary base and dichloromethane (DCM) as solvent. The reaction and final product will be analyzed by using gas chromatography (GC) and reaction progress kinetic analysis (RPKA). The mechanistic insights obtained in the present study should be useful for understanding …

The Application And Development Of Metabolomics Methodologies For The Profiling Of Food And Cellular Toxicity, Jade Woods

Department of Chemistry: Dissertations, Theses, and Student Research

Metabolomics is a rapidly growing field of study. Its growth reflects advancements in technology and an improved understanding of the impact of the environment on metabolism. As a result, metabolomics is now commonly employed to investigate and characterize human and plant metabolism. The first chapter of this thesis provides an introduction to metabolomics and an overview of the protocols for sample preparation, data collection and statistical analysis. The second thesis chapter describes in explicit detail the step-by-step process of extracting and analyzing metabolites collected from mammalian cells, specifically brain tissue with a focus on Parkinson’s disease. The chapter highlights important …

Structural Characterization Of Two Large Icosahedral Dna Viruses And Their Capsid Assembly Mechanisms, Yuejiao Xian

Open Access Theses & Dissertations

In the last three decades, many large DNA viruses were discovered and grouped into a loosely defined clade of Nucleocytoplasmic Large DNA Viruses (NCLDVs). NCLDVs infect a wide range of hosts from single cellular protists to large animals. Recently, these viruses were classified as a new phylum of Nucleocytoviricota under the kingdom of Bamfordvirae. The genomes of these Nucleocytoviricota viruses (NCVs) are remarkedly large and complicated, containing many cellular genes from all three domains of life, which raised intensive debates on their evolutionary origins. Despite being classified in the same phylum, their physical structures vary and can be roughly classified …

Fundamental Studies Of Nanomaterial-Mediated Photothermal Effects And Novel Applications In Visual Quantitative Disease Diagnoses, Wan Zhou

Open Access Theses & Dissertations

Infectious diseases and cancers frequently cause public health concerns and high burdens on health care globally. Early diagnosis of these diseases can provide an important guide on prevention, treatment, and prognosis in clinical practice. However, current laboratory diagnostic methods, such as nucleic acid- and protein-based detection methods, require sophisticated infrastructure, expensive and bulky instrumentation, well-trained personnel, and time-consuming processes, which significantly leads to high cost of detection assays and limit their wide accessibility, especially in low-resource settings. To address these issues, we have developed multiple simple, low-cost, and visual quantitative diagnostic methods based on nanomaterial-mediated photothermal effects for the detection …

Spatially Directed Functionalization By Co-Electropolymerization Of Two 3,4-Ethylenedioxythiophene Derivatives On Microelectrodes Within An Array, Benjamin J. Jones, Carol Korzeniewski, Jefferson H. Franco, Shelley D. Minteer, Ingrid Fritsch

Chemistry & Biochemistry Faculty Publications and Presentations

Electrodeposited conductive copolymer films with predictable relative properties (quantities of functional groups for further modification and capacitance) are of interest in sensors, organic electronic materials and energy applications. Potentiodynamic copolymerization of films in aqueous solutions of two different thiophene derivatives, (2,3-dihydrothieno[3,4-b]dioxin-2-yl) methanol (1) and 4-((2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)-methoxy)-4-oxobutanoic acid (2), containing 0.02 M total monomer (0, 25, 34, 50, 66, 75, 100 mol% 2), 0.05 M sodium dodecyl sulfate, and 0.1 M LiClO4, on gold microelectrodes in an array was investigated. Decreasing monomer deposited (m) from 0 to 100 mol% 2 is attributed to a decreasing pH that inhibits electropolymerization. Molar ratios of …

Chemical Investigation Of Avocado (Persea Americana) Seed Husk (Testa): A Waste Of Waste, Orlando A. Castillo Scheren

Theses and Dissertations

Food chemistry is a new field in the world and is currently still expanding into the types of market in which it can be tapped into. There are about 1.3 billion tons of food waste produced in 2016 in the world, and food chemistry is going to help get rid of that waste by finding new and exciting applications to the things currently considered as waste. In these products, there might be new and undiscovered drugs that can be used in the market to help treat diseases for which might not have a cure at the current moment. The avocado …

Synthesis, Characterization, And Application Of Meso-Tetraphenyl Metalloporphyrin Photocatalysts Under Visible Light, Alexis Echavarria

Theses and Dissertations

The photocatalytic activity of meso-Tetraphenyl Metalloporphyrins with different metal centers was investigated. The synthesized metalloporphyrin photocatalysts was performed and analyzed using FT-IR spectroscopy, UV-VIS spectroscopy, and powder X-Ray Diffraction analysis. The synthesized TPP crystals were determined to be tetragonal crystal structure and the structure was observed in all synthesized metalloporphyrin catalysts. The Soret (B) bands, Q bands, FT-IR functional groups were identified. Reaction progress was investigated by sampling at intervals of one hour and analysis of the samples was performed using Gas Chromatography-Mass Spectrometry. GC-MS analysis was used to identify the products of the photochemical catalytic redox reactions performed under …

Thermal And Spectroscopic Investigations On Polymer-Based Nanofibers, Omosola Oriretan

Theses and Dissertations

Nanofibers of Poly (ethylene oxide), PEO, Poly (vinylpyrrolidone) PVP, Co-nanofiber of PEO-PVP and PEO nanocomposite of various Fullerene compositions were prepared by dissolving PEO, PVP and Fullerene in water. The Fullerene nanoparticles were added to the PEO solutions, the mixtures were homogenized under high power sonication. The PEO solutions, PVP solutions, the co-polymer solutions of PEO-PVP and the PEO -Fullerene solutions were centrifugally spun using Force spinning™ machine. The obtained nanofibers and the nanocomposites were subjected to FTIR analysis, Raman analysis and various heating and cooling cycles with heating and cooling rates ranging from 10C/min to 600C/min using differential scanning …

Chemical Modification And In Silico Validation Of Medicinally Privileged Molecular Scaffolds As Kras And Sars-Cov-2 Protease Inhibitors, Precious M. Okwuchukwu

Theses and Dissertations

Coronavirus disease was declared a global pandemic by WHO in March 2020, cancer is the second leading cause of death by a disease. Several scientists around the world are working relentlessly to discover an effective remedy to eradicate these deadly diseases. A natural polyphenol (magnolol) has been isolated from a tree Magnolia grandiflora (family Magnoliaceae) found on UTRGV campuses. This research is focused on design of a series of chemically modified sulfonyl derivatives based on the isolated magnolol framework and other medicinally privileged molecular scaffolds framework that can effectively bind to the COVID-19 main protease, SARS- CoV-2 3CL protease …

Total Synthesis Of Cytotoxic Mansouramycins From Amino Acids, Beatriz Gamez

Theses and Dissertations

Natural products produced by plants, animals, and microorganisms are of significant importance in chemistry for being major sources of molecular scaffolds essential for new drug discovery. Mansouramycins are cytotoxic bioactive compounds containing isoquinoline skeletons with substituents on the quinone and pyridine rings that may be difficult to synthesize. Synthetic processes exist for compounds B and D, however, there exists an absence of simple synthetic approaches to all four alkaloids.

This project aims to provide a general total synthetic pathway to Mansouramycins A—D from amino acids for possible use in cancer treatment via these isoquinolinequinones. Preliminary experimentation suggests there may be …

Photoelectrical And Photoelectrochemical Characterization Of The Materials Used In Dye-Sensitized And Perovskite Solar Cells., Pom Lal Kharel

Electronic Theses and Dissertations

Solar energy is one of the most important alternative renewable energy sources to fulfill the increasing demand of energy in the world. Third-generation solar cells like dye-sensitized solar cells, perovskite solar cells, quantum dot solar cells, and organic solar cells are extensively studied to increase their photoconversion efficiency, and ultimately for their large-scale implementation. A dye-sensitized solar cell consists of a photoanode of a mesoporous film of titania sensitized with dye sandwiched with a counter electrode, which is usually a platinum-coated transparent conducting oxide, and a redox couple injected between the photoanode and counter electrode. Doping titania with rare-earth metal …

Alkylation Of Benzene On Immobilized Phosphotungstic Acid, Kofi Kankam

Electronic Theses and Dissertations

Linear alkylbenzenes (LAB) are key intermediates in the synthesis of linear alkylbenzene sulfonate surfactants that are used in the manufacture of detergents. Production of LAB with traditional Lewis acids as catalysts, such as hydrofluoric acid, results in the formation of large amounts of toxic wastes and corrosion of industrial equipment. Phosphotungstic acid (PTA) has gained much attention in recent years as a solid catalyst for various alkylation reactions. This research work aims to develop a novel material based on PTA-containing silica gel, which can effectively catalyze LAB synthesis. Sol-gel synthesis of silica gel in the presence of PTA and tetraethyl …