Chemistry Commons^™

Molten Alkali Halide Salt-Flux Crystal Growth And Physical Property Determination Of Complex Oxides And Chalcogenides Supported By First Principles Density Functional Theory Calculations, Mohammad Usman

Theses and Dissertations

The primary objective of this dissertation is to inform the reader about more thansixty new materials with potentially attractive physical properties obtained via molten alkali halide flux methods as X-ray diffraction quality crystals. Flux crystal growth carries several advantages over other synthetic methods, including low reaction temperatures and straightforward post-reaction workup. This dissertation consists of 11 chapters, including an introductory chapter, which are organized into two parts, each corresponding to the general structure type of the family of oxides and chalcogenides being investigated. Part 1, which encompasses chapters 2–6, is dedicated to the discussion of crystal growth of complex chalcogenides …

Perspective On Multi-Scale Simulation Of Thermal Transport In Solids And Interfaces (Vol 23, Pg 1785, 2021), Ming Hu, Zhonghua Yang

Faculty Publications

Correction for ‘Perspective on multi-scale simulation of thermal transport in solids and interfaces’ by Ming Hu et al., Phys. Chem. Chem. Phys., 2021, 23, 1785–1801, DOI: 10.1039/D0CP03372C.

The Fireproofing Abilities Of Sodium Polyacrylate In The Form Of A Gel, Water Based Paint, And Spray, Sydni Moore

Journal of the South Carolina Academy of Science

No abstract provided.

The Effect Of Alcalase Concentration On The Proteins From The Shells Of Litopenaeus Setiferus (White Shrimp), Liam T. Quan

Journal of the South Carolina Academy of Science

Chitin is a naturally abundant polymer that also happens to be biodegradable. Chitin can be used in a variety of different products such as biodegradable plastics, papers, medical products, foods, and medical treatments. To extract chitin, shells must be demineralized and deproteinized. The goal of this experiment was to examine the effect of the protease Alcalase in the deproteinization of litopenaeus setiferus shells. The hypothesis was that if the concentration of Alcalase increased, then the absorbance of proteins in the spectrophotometer reading would increase. The null hypothesis was that if the concentration increased there would be no change in absorption. …

Investigating Alternative Synthesis And Impregnation Methods For Silver Nanoparticles, Yash Patel

Journal of the South Carolina Academy of Science

No abstract provided.

Self-Assembled Thermoresponsive Nanogel From Grafted Hyaluronic Acid As A Biocompatible Delivery Platform For Curcumin With Enhanced Drug Loading And Biological Activities, Jittima Amie Luckanagul, Pahweenvaj Ratnatilaka Na Bhuket, Chawanphat Muangnoi, Pranee Rojsitthisak, Qian Wang, Pornchai Rojsitthisak

Faculty Publications

A hyaluronic acid-grafted poly(N-isopropylacrylamide) (HA-pNIPAM) was synthesized as a polymeric nanogel platform for encapsulation and delivery of hydrophobic bioactive compounds using curcumin as a model drug. As demonstrated by transmission electron microscopy and dynamic light scattering techniques, the HA-pNIPAM was simply assembled into spherical nano-sized particles with the thermoresponsive behavior. The success of curcumin aqueous solubilization was confirmed by fluorescent spectroscopy. The resulting nanogel formulation enhanced the aqueous solubility and uptake into NIH-3T3 cells of curcumin. This nanogel formulation also demonstrates cytocompatibility against NIH-3T3 cells, which deems it safe as a delivery vehicle. Moreover, the formulation has a slight skin-protection …

The Supercam Instrument Suite On The Nasa Mars 2020 Rover: Body Unit And Combined System Tests, Roger C. Wiens, Sylvestre Maurice, Scott H. Robinson, Anthony E. Nelson, Philippe Cais, Pernelle Bernardi, Raymond T. Newell, Sam Clegg, Shiv K. Sharma, Steven Storms, Jonathan Deming, Darrel Beckman, Ann M. Ollila, Olivier Gasnault, Ryan B. Anderson, Yves André, Stanley M. Angel, Gorka Arana, Elizabeth Auden, Pierre Beck, Et. Al.

Faculty Publications

The SuperCam instrument suite provides the Mars 2020 rover, Perseverance, with a number of versatile remote-sensing techniques that can be used at long distance as well as within the robotic-arm workspace. These include laser-induced breakdown spectroscopy (LIBS), remote time-resolved Raman and luminescence spectroscopies, and visible and infrared (VISIR; separately referred to as VIS and IR) reflectance spectroscopy. A remote micro-imager (RMI) provides high-resolution color context imaging, and a microphone can be used as a stand-alone tool for environmental studies or to determine physical properties of rocks and soils from shock waves of laser-produced plasmas. SuperCam is built in three parts: …

Chloramination Of Iopamidol- And Bromide-Spiked Waters Containing Natural Organic Matter, Nana Osei B Ackerson, Hannah K. Liberatore, Susan D. Richardson, Micheal J. Plewa, Thomas A. Ternes, Stephen E. Duirk

Faculty Publications

Iopamidol (an iodinated X-ray contrast medium) and bromide are precursors in the formation of halogenated disinfection byproducts (DBPs). The interactions of these precursors are vital to elucidate the formation of halogenated DBPs during chloramination. This work investigated the formation of total organic halogen and select individual DBPs in two laboratory-chloraminated source waters containing iopamidol and bromide. Experiments were carried out in batch reactors containing Barberton source water (BSW) and Cleveland BSW (CSW), spiked with iopamidol (5 mu M), bromide (15 mu M), and 100 mu M monochloramine. Total organic iodine concentrations were approximately equal regardless of source water since they …

Natalia Shustova Answers Questions About 15 Years Of Research On Covalent Organic Frameworks, Natalia B. Shustova Prof. Dr.

Faculty Publications

No abstract provided.

Measurements Of Rate Exchange Dynamics In Supercooled Ortho-Terphenyl By Single-Molecule 3d Kinetics And Green’S Functions, Harveen Kaur

Theses and Dissertations

Heterogeneity in relaxation rates is a well-established feature of supercooled liquids. It implies the existence of a rate-exchange process to restore ergodicity, but the experimental characterization of that exchange has been incomplete and controversial. This dissertation develops three-dimensional (3D) correlation functions that provide a well-defined measure of rate exchange from single-molecule measurements. This approach is demonstrated on both single-molecule dichroism measurements and atomistic simulations of molecular rotation in ortho-terphenyl.

The first project develops non-parametric analysis of nonexponential and multidimensional kinetics. The quantification of nonexponential (dispersed) kinetics has relied on empirical functions, which yield parameters that are neither unique nor easily …

Synthesis And Design Of Novel Polymer Grafted Nanoparticles Relevant To Drug Delivery Vehicles For Biomedical Applications, Maan Abduldiyem Hassan Al-Ali

Theses and Dissertations

The modification of inorganic nanoparticles with organic polymer chains has become a significant field of study for the engineering of advanced nanocomposite materials. This dissertation presents the design, synthesis, and characterization of novel polymer grafted silica nanoparticles as new strategies to combat bacterial resistance. Described herein is the synthesis of monomers that have been graft polymerized onto silica nanoparticles that can be used as a delivery drug vehicle for biomedical applications. The polymerization of these monomers was performed via reversible addition-fragmentation chain transfer (RAFT) polymerization. The molecular design of the RAFT agents that are attached to the surfaces of the …

A Novel Analytical Method For Studying Pharmacological Treatments For Affective Disorders In Neuroscience, Shane N. Berger

Theses and Dissertations

Histamine and serotonin are important neurochemicals that maintain crucial brain functions. Both are thought to be altered in affective and neurodegenerative disorders such as depression and Parkinson’s disease. Histamine and serotonin are thought to modulate one another but the exact relationship remains unknown and this gap in knowledge makes diagnosing and treating disorders involving the transmitters difficult. The Hashemi lab studies serotonin neurochemistry to understand serotonin’s role in psychiatric disorders. However, histamine has remained an understudied neurotransmitter due to a lack of analytical tools. In 2015 and 2016, the Hashemi lab pioneered a novel detection method utilizing fast-scan cyclic voltammetry …

Disinfection Byproduct Drivers Of Cytotoxicity In Drinking Water And Swimming Pools, Joshua M. Allen

Theses and Dissertations

Water disinfection was cited as the greatest public health achievement of the 20th Century. By inactivating pathogens, disinfection has significantly reduced waterborne diseases in drinking water and swimming pools. However, chemical disinfection has also raised a public health issue: the potential for cancer induction, reproductive and developmental effects, and asthma-related risks associated with exposure to chemical disinfection byproducts (DBPs), which are formed by the reaction of disinfectants with organic matter (natural or anthropogenic), bromide, and iodide. In the U.S., four trihalomethanes (THMs) and five haloacetic acids (HAAs) are currently regulated in drinking water, although no DBPs are regulated in pools, …

Protein Co-Assembly And Its Application In Enzyme Engineering, Libo Zhang

Theses and Dissertations

Enzymes, as highly efficient biocatalysts, have been researched extensively in both academia and industry because of their distinct advantages including high substrate specificity, high regio- and stereoselectivity, environmentally benign process, etc. Though enzyme catalysis has been scaled up for commercial processes in the pharmaceutical, food and beverage and detergent industries, technical barriers associated with enzyme implementation persist, i.e., low catalytic efficiency at non-natural environment, exhausting product separations, high cost of certain enzymes, etc. Moreover, currently most industrial enzymes are used in single-step reactions; however, multistep and multienzyme catalysis with optimal efficiency could greatly expand its potential for synthetic applications to …

Exploratory Molten Flux Crystal Growth Of Complex Uranium Oxides, Christian A. Juillerat

Theses and Dissertations

While the use of nuclear technology has proven useful for energy generation and for military use, the proper disposal and storage of the resulting nuclear waste requires serious attention to ensure radioactive species are indefinitely sequestered to protect the biosphere. There are several classifications of nuclear waste such as spent nuclear fuel (from industrial power plants), low level waste (slightly contaminated trash), and high level waste (HLW) which is in the form of a sludge, precipitated salt, or liquid. Each of these requires a different approach to processing and storage. Of these, HLW requires the most attention because it is …

Hydrogen Peroxide And Antioxidant Enzymes Moderate Interaction Of The Carbon And Oxygen Cycles At The Redoxcline, Fan Wang

Theses and Dissertations

Hydrogen peroxide is a reduced form of dioxygen produced in natural waters from a manifold of abiotic and biological processes. Hydrogen peroxide is highly redox active and it often serves to initiate the formation of reactive oxygen species in the environment. It typically exists in natural waters at concentrations ranging from as low as ~ 1 nanomolar in “blue water” marine environments to as high as 10 micromolar near actively effluxing sediments. It has the potential to cause significant toxicity in aquatic organisms, which have evolved a collection of antioxidant enzymes including peroxidase, catalase, and superoxide dismutase. Work in this …

Heterometallic Multinuclear Nodes Directing Mof Electronic Behavior, Otega A. Ejegbavwo, Anna A. Berseneva, Corey R. Martin, Gabrielle A. Leith, Shubham Pandey, Amy J. Brandt, Kyoung Chul Park, Abhijai Mathur, Sharfa Farzandh, Vladislav V. Klepov, Brittany J. Heiser, Mvs Chandrashekhar, Stavros G. Karakalos, Mark D. Smith, Simon R. Phillpot, Sophya Garashchuk, Donna A. Chen, Natalia B. Shustova Prof. Dr.

Faculty Publications

Metal node engineering in combination with modularity, topological diversity, and porosity of metal–organic frameworks (MOFs) could advance energy and optoelectronic sectors. In this study, we focus on MOFs with multinuclear heterometallic nodes for establishing metal−property trends, i.e., connecting atomic scale changes with macroscopic material properties by utilization of inductively coupled plasma mass spectrometry, conductivity measurements, X-ray photoelectron and diffuse reflectance spectroscopies, and density functional theory calculations. The results of Bader charge analysis and studies employing the Voronoi–Dirichlet partition of crystal structures are also presented. As an example of frameworks with different nodal arrangements, we have chosen MOFs with mononuclear, …

A Highly Elastic And Fatigue-Resistant Natural Protein-Reinforced Hydrogel Electrolyte For Reversible-Compressible Quasi-Solid-State Supercapacitors, Jingya Nan, Gaitong Zhang, Tianyu Zhu, Zhongkai Wang, Lijun Wang, Hongsheng Wang, Fuxiang Chu, Chunpeng Wang, Chuanbing Tang

Faculty Publications

Compressible solid-state supercapacitors are emerging as promising power sources for next-generation flexible electronics with enhanced safety and mechanical integrity. Highly elastic and compressible solid electrolytes are in great demand to achieve reversible compressibility and excellent capacitive stability of these supercapacitor devices. Here, a lithium ion-conducting hydrogel electrolyte by integrating natural protein nanoparticles into polyacrylamide network is reported. Due to the synergistic effect of natural protein nanoparticles and polyacrylamide chains, the obtained hydrogel shows remarkable elasticity, high compressibility, and fatigue resistance properties. More significantly, the supercapacitor device based on this hydrogel electrolyte exhibits reversible compressibility under multiple cyclic compressions, working well …

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Gel Permeation Chromatography Purification And Surface Chemistry Of Technologically Relevant Colloidal Quantum Dots, Adam Roberge

Theses and Dissertations

Semiconductor quantum dots have received extensive research interest due to the size tunable band gap, large extinction coefficient, and ease of synthesis. These nanocrystals possess large surface to volume ratios and the chemistry at the surface of the nanocrystal greatly influences the resultant optoelectronic properties. Therefore, after synthesis, purification of the quantum dot samples to remove synthetic by-products that may alter these properties is of great importance. Gel permeation chromatography (GPC), a form of size exclusion chromatography, has been shown to reproducibly purify CdSe quantum dots. This work focuses on the expansion of purification by gel permeation chromatography to other …

Investigating The Role Of Iron-Sulfur Signaling In Yeast Transcriptional Regulation, Malini Gupta

Theses and Dissertations

As an essential cofactor in a myriad of cellular processes, uptake and mobilization of iron must be tightly controlled. Iron homeostasis in fungi involves balancing iron uptake and storage with iron utilization to achieve adequate, non-toxic levels of this essential nutrient. Extensive work in the non-pathogenic yeasts Saccharomyces cerevisiae and Schizosaccharomyces pombe have uncovered unique iron regulation networks for each organism that control iron metabolism via distinct molecular mechanisms. The activities of all fungal iron-sensing transcription factors characterized to date are regulated via iron-sulfur cluster signaling.

In Saccharomyces cerevisiae, expression of iron uptake, utilization and storage genes is primarily regulated …

Mechanistic Investigations Of Isothiourea Catalyzed Silylations Of Secondary Alcohols Using Reaction Progress Kinetic Analysis, Brandon Kane Redden

Theses and Dissertations

The primary focus of this research is in expanding the knowledge and scope of the asymmetric silylation of alcohols. Since it was discovered in 2011 that chiral isothioureas can selectively silylate alcohols through kinetic resolution reactions, the Wiskur group has been working to increase the applications of the methodology. Understanding the kinetics behind the mechanism of the reaction is fundamental in the designing both improved kinetic resolutions and other silylation methodology. Chapter 2 focuses on using reaction progress kinetic analysis to monitor silylations of secondary alcohols with thiourea catalysts in real time using in situ IR to determine the rate …

Development Of Natural Product-Derived Cationic Polymers For Biomaterial Applications, Moumita Sharmin Jui

Theses and Dissertations

In this thesis, multicyclic natural products and metallocene-containing polymers were synthesized for biomedical applications.

Chapter 1 describes the overall background, the recent development of natural product-based antimicrobial biomaterial and metallocene containing polymer for biomedical application. Afterward, the primary research objectives of my research are illustrated.

In chapter 2, a multicyclic natural product derived guanidine-based facially amphiphilic homopolymers and copolymers were synthesized. Cholic acid is one of the bile acid derivatives used to prepare facially amphiphilic moieties. A neutral polyethylene glycol (PEG) component was used to prepare copolymers with cholic acid. Reversible-addition fragmentation chain transfer (RAFT) polymerization technique was used to …

Chemistry Of A Biscarborane Dithiol And Its Nickel (Ii) Complex, Tyler Hemingway

Theses and Dissertations

Neutral biscarborane dithiol and its anionic dithiolate form were successfully synthesized and structurally characterized. The C–C intracluster bond lengths were found to be responsive to the electron density on the cluster. Introduction of two thiol groups on biscarborane led to the significant increase of intracluster C–C bond lengths compared to those of unsubstituted biscarborane. Furthermore, the anionic dithiolate form had even longer C–C cluster bonds. This comparison shows electronic effect of substituents attached to carbon atoms of biscarborane on the strength of its C–C bonds. Additionally, a novel Ni complex was obtained using this dithiolate as a ligand. This complex …

Tailored Multifunctional Heterometallic Metal-Organic Frameworks, Otega Anthonia Ejegbavwo

Theses and Dissertations

Metal-organic frameworks (MOFs), which are well-defined and porous extended structures consisting of organic linkers connected to inorganic secondary building units, are a class of materials that have received tremendous attention over the last decade. This geometrically growing interest in MOFs is attributed to their properties of porosity, tunability, modularity, crystallinity, flexibility, and long-term stability, which makes them attractive candidates for various applications. This dissertation focuses on two major studies, the first part encompasses the strategic design, preparation, and extensive studies of actinide containing MOFs (An-MOFs). This work, presented within the first two chapters, demonstrates the effective utilization of MOF modularity …

Structural, Functional And Immunological Studies Of Group 1 And 2 House Dust Mite And Profilin Allergens For The Development Of Allergen Specific Diagnostics And Immunotherapy, Anyway B. Kapingidza

Theses and Dissertations

Group 1 and 2 house dust mites (HDM) allergens elicit IgE response in more than 80% of sensitized individuals. These allergens affect 10-30% of the world’s population. Prolonged inhalation of low doses of allergens (microgram amounts inhaled over months or years) by genetically predisposed individuals leads to the induction of a Th2-type immune response induced by allergen-specific immunoglobulin E (IgE) produced by plasma cells resulting in allergic diseases like asthma, atopic dermatitis, and rhinitis. Group 1 and 2 HDM allergens, in particular, are associated with the development of the aforementioned allergic diseases. The goal of this research was to characterize …

An Examination Between Neighborhood Characteristics And Alzheimer’S Disease And Related Dementias And Caregiver Mental Health In South Carolina, Mohammad Jahirul Islam

Theses and Dissertations

Carboranes are of topical interest due to their unique structures and applications in the fields of catalysis, polymers, material sciences and supramolecular chemistry. Icosahedral closo-dicarbadodecaboranes are remarkably robust three-dimensional boron-carbon clusters with two slightly acidic C-H bonds. Moreover, coordinatively unsaturated transition-metal complexes containing C-functionalized ortho-carborane are considered as potential catalysts for activation of small molecules.

Recently, we reported the synthesis of a pyridine-backbone pincer complex {(C₅H₃N)(C₂B₁₀H₁₀)₂}Ni(CH₃CN) (1) in which two C-functionalized ortho-carborane clusters act as the arms of the pincer ligand. The complex …

Systematic Development Of Photocatalysts, Mary Victoria Bobo

Theses and Dissertations

Photocatalysis is a rapidly growing field and a powerful synthetic tool that has recently seen many advancements, showing immense promise to replace classic catalysis with a mild and elegant alternative methodology. Visible light driven catalysis relies on redox stable transition metal and organic based photoactive catalysts (photocatalysts) that absorb visible light efficiently and facilitate electron/energy transfer. The desire for greener and more renewable catalytic methods has caused research to shifted away from traditional transition metals (due to scarcity and environmental toxicity) and toward organic based photocatalysts. Due to similar photophysical and electrochemical characteristics of each of these classes of photocatalysts …

Fundamental Studies Of Bimetallic Model Surfaces And Metal Organic Framework Thin Films, Fathima Sharfa Farzandh

Theses and Dissertations

This work is mainly focused on gaining a fundamental understanding of conventional bimetallic catalysts in order to correlate their macroscopic properties with the observed kinetic properties. This is achieved by synthesizing and studying fundamental model surface analogues of conventional catalysts that are difficult to study due to their complex, ill-defined nature. A wide array of surface science techniques that use ultra-high vacuum (UHV) conditions are readily available for detailed studies that can be conducted on model surfaces. This work focuses on the synthesis and investigation of two fundamental bimetallic catalysts formed via the addition of a second metal to an …

A Behavioral And Voltammetric Study Of The Effects Of Pb Exposure In Mice As A Model Of Autism Spectrum Disorder, Brenna Parke

Theses and Dissertations

Despite being a known toxin for several centuries, lead (Pb²⁺) is still utilized in commercial products including leaded gasoline, paint, and modern cosmetics. This presence has caused (Pb²⁺) to pollute the environment, including public drinking water sources. The recent outbreaks of elevated levels of (Pb²⁺) in the drinking water in Flint, Michigan and Washington D.C. have caused large populations to be exposed to the heavy metal for months at a time, raising a public health concern over the implications of widespread, long-term (Pb²⁺) exposure. Young children are most susceptible to the effects …