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Articles 8911 - 8940 of 33218

Full-Text Articles in Chemistry

Preparations Of Nickel-Iron Hydroxide/Sulfide And Their Electrocatalytic Performances For Overall Water Splitting, Hang-Shuo Lu, Xiao-Bo He, Feng-Xiang Yin, Guo-Ru Li Feb 2020

Preparations Of Nickel-Iron Hydroxide/Sulfide And Their Electrocatalytic Performances For Overall Water Splitting, Hang-Shuo Lu, Xiao-Bo He, Feng-Xiang Yin, Guo-Ru Li

Journal of Electrochemistry

The Ni-Fe/Ti oxygen evolution electrode was prepared by electrodeposition on a titanium mesh substrate. Then, the as prepared Ni-Fe/Ti electrode was used to derive the Ni-Fe-S/Ti hydrogen evolution electrode through solid phase sulfuration. The effects of the molar ratio of Ni2+ to Fe3+ in the electrolyte and the amount of thiourea on the structures and electrochemical performances of Ni-Fe/Ti and Ni-Fe-S/Ti electrodes were investigated. The results show that the oxygen evolution performance of Ni-Fe/Ti electrode was first increased and then decreased with the increase of nickel ion content in the electrolyte. The Ni9Fe1/Ti electrode exhibited the best oxygen …


Atomic Force Microscopic Characterization Of Solid Electrolyte Interphase In Lithium Ion Batteries, Qing-Yu Dong, Yan-Li Chu, Yan-Bin Shen, Li-Wei Chen Feb 2020

Atomic Force Microscopic Characterization Of Solid Electrolyte Interphase In Lithium Ion Batteries, Qing-Yu Dong, Yan-Li Chu, Yan-Bin Shen, Li-Wei Chen

Journal of Electrochemistry

In recent years, the rapid growing in the electric vehicle market has raised higher requirement on the lithium-ion batteries (LIBs) performance towards energy density and safety. However, considering the successful development of LIBs techniques in the past 30 years, there is little room left for improving the LIBs performance on the aspects related to the electrode materials, battery structure design and production processes. It is important to pursue more comprehensive fundamental understanding in the entire system and working principle of LIBs. Solid electrolyte interphase (SEI), existing between the electrode material and the electrolyte, has been proved to be an important …


Preparation And Electrocatalytic Performance Of Nico2O4/Ni Foam For Hydrogen Peroxide Electrooxidation, Wei-Wei Chen, Fei-Fan Zhang, Jia-Liang Du, Yi Wang, Chun-Lin Zhao, Kai Zhu, Dian-Xue Cao, Gui-Ling Wang Feb 2020

Preparation And Electrocatalytic Performance Of Nico2O4/Ni Foam For Hydrogen Peroxide Electrooxidation, Wei-Wei Chen, Fei-Fan Zhang, Jia-Liang Du, Yi Wang, Chun-Lin Zhao, Kai Zhu, Dian-Xue Cao, Gui-Ling Wang

Journal of Electrochemistry

The electrodes of Ni foam supported NiCo2O4 nanowires were prepared by hydrothermal method, followed by a thermal treatment in air, and were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). It was found that the NiCo2O4 nanowires had a diameter of about 50 nm with a length up to 3 ~ 5 μm. The catalytic performances of the Ni foam supported NiCo2O4 nanowires for H2O2 electrooxidation were studied by cyclic voltammetry and chronoamperometry. The results show that the Ni foam supported NiCo …


Surface Reservoirs Dominate Dynamic Gas-Surface Partitioning Of Many Indoor Air Constituents, Chen Wang, Douglas B. Collins, Caleb Arata, Allen H. Goldstein, James M. Mattila, Delphine K. Farmer, Laura Ampollini, Peter F. Decarlo, Atila Novoselac, Marina E. Vance, William W. Nazaroff, Jonathan P.D. Abbatt Feb 2020

Surface Reservoirs Dominate Dynamic Gas-Surface Partitioning Of Many Indoor Air Constituents, Chen Wang, Douglas B. Collins, Caleb Arata, Allen H. Goldstein, James M. Mattila, Delphine K. Farmer, Laura Ampollini, Peter F. Decarlo, Atila Novoselac, Marina E. Vance, William W. Nazaroff, Jonathan P.D. Abbatt

Faculty Journal Articles

Human health is affected by indoor air quality. One distinctive aspect of the indoor environment is its very large surface area that acts as a poorly characterized sink and source of gas-phase chemicals. In this work, air-surface interactions of 19 common indoor air contaminants with diverse properties and sources were monitored in a house using fast-response, on-line mass spectrometric and spectroscopic methods. Enhanced-ventilation experiments demonstrate that most of the contaminants reside in the surface reservoirs and not, as expected, in the gas phase. They participate in rapid air-surface partitioning that is much faster than air exchange. Phase distribution calculations are …


Assessment Of Soil Protein And Refractory Soil Organic Matter Across Two Chronosequences Of Newly Developing Marshes In Coastal Louisiana, Usa, Stuart Alexander Mcclellan Feb 2020

Assessment Of Soil Protein And Refractory Soil Organic Matter Across Two Chronosequences Of Newly Developing Marshes In Coastal Louisiana, Usa, Stuart Alexander Mcclellan

LSU Doctoral Dissertations

The impacts of sea-level rise and hydrologic manipulation are threatening the stability of coastal marshes throughout the world, thereby increasing the potential for re-mineralization of soil organic matter (SOM) in these systems. Such threats have prompted marsh restoration efforts, particularly in coastal Louisiana, yet it is unclear how the slowly decomposing (refractory) and quickly decomposing (labile) fractions of SOM may be differentially affected by different approaches to marsh restoration. Additionally, otherwise labile compounds may accumulate in the soil via a range of protective mechanisms, including rapid burial and association with organic compounds that are thought to enhance soil aggregation, such …


Yeast Copper Proteins And Reactive Oxygen Species In Effecting Lifespan, Megan Bestwick Feb 2020

Yeast Copper Proteins And Reactive Oxygen Species In Effecting Lifespan, Megan Bestwick

Post-Grant Reports

Mitochondria are essential organelles in most eukaryotic cells because of their role in metabolism and the production of ATP by the oxidative phosphorylation (OXPHOS) pathway, as well as other key cellular processes. Metal cofactors, such as copper (Cu) and iron (Fe), are incorporated into OXPHOS protein complexes of yeast located within the inner membrane of the mitochondria. Misincorporation or modulation of these available metals in mitochondrial enzymes leads to the production of reactive oxygen species (ROS). ROS are reactive molecules containing oxygen such as peroxides, superoxide, and hydroxyl radicals. Yeast are a good model for studying aging and the effect …


The Allometry Of Daily Energy Expenditure In Hummingbirds: An Energy Budget Approach, Anushu Shankar, Donald R. Powers, Liliana M. Dávalos, Catherine H. Graham Feb 2020

The Allometry Of Daily Energy Expenditure In Hummingbirds: An Energy Budget Approach, Anushu Shankar, Donald R. Powers, Liliana M. Dávalos, Catherine H. Graham

Faculty Publications - Department of Biological & Molecular Science

1. Within-clade allometric relationships represent standard laws of scaling between energy and size, and their outliers provide new avenues for physiological and ecological research. According to the metabolic-level boundaries hypothesis, metabolic rates as a function of mass are expected to scale closer to 0.67 when driven by surface-related processes (e.g. heat or water flux), while volume-related processes (e.g. activity) generate slopes closer to one.

2. In birds, daily energy expenditure (DEE) scales with body mass (M) in the relationship log (DEE)=2.35+0.68×log (M), consistent with surface-level processes driving the relationship. However, taxon-specific patterns differ from the scaling slope of all birds. …


Force Field Development Of Β-Lactam Class Antibiotics, Trevor Heinzmann Feb 2020

Force Field Development Of Β-Lactam Class Antibiotics, Trevor Heinzmann

SMU Journal of Undergraduate Research

Molecular dynamics (MD) simulation is a computational chemistry technique used to observe how a molecular system behaves as time passes. MD is based on solving Newton’s equations of motion. This requires the use of force fields to describe the potential energy function of each different molecule type in molecular system. In order to develop a force field, charges, bonds, angles, and dihedrals must be parameterized to fit quantum mechanics (QM) data. By basing the force field on QM data, MD simulations have higher accuracy while still using the low computational cost of molecular mechanics. This project focuses on developing well-fit …


Quantitative Trait Loci (Qtl) Underlying Phenotypic Variation In Bioethanol-Related Processes In Neurospora Crassa, Joshua C. Waters, Deval Jhaveri, Justin C. Biffinger, Kwangwon Lee Feb 2020

Quantitative Trait Loci (Qtl) Underlying Phenotypic Variation In Bioethanol-Related Processes In Neurospora Crassa, Joshua C. Waters, Deval Jhaveri, Justin C. Biffinger, Kwangwon Lee

Chemistry Faculty Publications

Bioethanol production from lignocellulosic biomass has received increasing attention over the past decade. Many attempts have been made to reduce the cost of bioethanol produc- tion by combining the separate steps of the process into a single-step process known as consolidated bioprocessing. This requires identification of organisms that can efficiently decompose lignocellulose to simple sugars and ferment the pentose and hexose sugars lib- erated to ethanol. There have been many attempts in engineering laboratory strains by add- ing new genes or modifying genes to expand the capacity of an industrial microorganism. There has been less attention in improving bioethanol-related processes …


Assessing Differences Between Three Virtual General Chemistry Experiments And Similar Hands-On Experiments, Cory Hensen, Gosia Glinowiecka-Cox, Jack Barbera Feb 2020

Assessing Differences Between Three Virtual General Chemistry Experiments And Similar Hands-On Experiments, Cory Hensen, Gosia Glinowiecka-Cox, Jack Barbera

Chemistry Faculty Publications and Presentations

To date the efficacy of virtual experiments is not well understood. To better understand what differences may exist between a hands-on learning environment and a virtual learning environment, three experiments were chosen for investigation. For each experiment, approximately half of the students completed a hands-on version of the experiment and the other half completed a virtual version. After completing the given experiment, students were compared on: their ability to meet the learning objectives for that experiment, their responses to six affective scales, and their grade on a laboratory report. Differences were found on four learning objectives. Two of these learning …


Polymers For Extrusion‐Based 3d Printing Of Pharmaceuticals: A Holistic Materials–Process Perspective, Mohammad A. Azad, Deborah Olawuni, Georgia Kimbell, Abu Zayed Badruddoza, Md. Shahadat Hossain, Tasnim Sultana Feb 2020

Polymers For Extrusion‐Based 3d Printing Of Pharmaceuticals: A Holistic Materials–Process Perspective, Mohammad A. Azad, Deborah Olawuni, Georgia Kimbell, Abu Zayed Badruddoza, Md. Shahadat Hossain, Tasnim Sultana

Publications and Research

Three dimensional (3D) printing as an advanced manufacturing technology is progressing to be established in the pharmaceutical industry to overcome the traditional manufacturing regime of ʹone size fits for allʹ. Using 3D printing, it is possible to design and develop complex dosage forms that can be suitable for tuning drug release. Polymers are the key materials that are necessary for 3D printing. Among all 3D printing processes, extrusion‐based (both fused deposition modeling (FDM) and pressure‐assisted microsyringe (PAM)) 3D printing is well researched for pharmaceutical manufacturing. It is important to understand which polymers are suitable for extrusion‐based 3D printing of pharmaceuticals …


Advancing Equity Amongst General Chemistry Students With Variable Preparations In Mathematics, Vanessa R. Ralph Feb 2020

Advancing Equity Amongst General Chemistry Students With Variable Preparations In Mathematics, Vanessa R. Ralph

USF Tampa Graduate Theses and Dissertations

Reducing the inequities propagating the lack of representation in Science, Technology, Engineering, and Mathematics (STEM) careers has become a national imperative made increasingly complex given the inequitable preparations in science and mathematics students experience before college. A common institutional-level approach to promoting equity is the use of math and science prerequisites to prepare students who seek to enroll in lower-level STEM coursework. However, the literature does not support the efficacy of this approach, finding no substantive improvement to student performance despite considerable financial and time costs to students, instructors, and universities alike. Set in first-semester General Chemistry courses taken early …


Electrochemical Studies Of Cobalt(Ii) Diphenylazodioxide Complexes, Lakshmi Balarama, Kylin A. Emhoff, Ahmed M.H. Salem, Jovana Hanna, Mohamed N. Alsabony, Mekki Bayachou, Jerry Mundell, W. Christropher Boyd Feb 2020

Electrochemical Studies Of Cobalt(Ii) Diphenylazodioxide Complexes, Lakshmi Balarama, Kylin A. Emhoff, Ahmed M.H. Salem, Jovana Hanna, Mohamed N. Alsabony, Mekki Bayachou, Jerry Mundell, W. Christropher Boyd

Chemistry Faculty Publications

The electrochemical behavior of the unusual cobalt(II) diphenylazodioxide complex salts [Co(az)4](PF6)2 1 and [Co(bpy)(az)2](PF6)2 2 has been studied by cyclic voltammetry. Each complex displays two quasireversible redox couples, which are proposed to correspond to a reduction of Co(II) to Co(I), followed by a ligand-based reduction. Irreversible reductions of 1 are observed at more negative potentials, and are proposed to arise from deposition of elemental Co and the decomposition of transiently formed Co(-I) species. Spectroelectrochemical experiments on both 1 and 2, involving electrolytic reduction followed by reoxidation, are consistent with …


Competition Between Intra And Intermolecular Triel Bonds. Complexes Between Naphthalene Derivatives And Neutral Or Anionic Lewis Bases, Wiktor Zierkiewicz, Mariusz Michalczyk, Steve Scheiner Feb 2020

Competition Between Intra And Intermolecular Triel Bonds. Complexes Between Naphthalene Derivatives And Neutral Or Anionic Lewis Bases, Wiktor Zierkiewicz, Mariusz Michalczyk, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

A TrF2 group (Tr = B, Al, Ga, In, Tl) is placed on one of the α positions of naphthalene, and its ability to engage in a triel bond (TrB) with a weak (NCH) and strong (NC−) nucleophile is assessed by ab initio calculations. As a competitor, an NH2 group is placed on the neighboring Cα, from which point it forms an intramolecular TrB with the TrF2 group. The latter internal TrB reduces the intensity of the π-hole on the Tr atom, decreasing its ability to engage in a second external TrB. The …


Polyphenols In Alzheimer’S Disease And In The Gut–Brain Axis, V. Prakash Reddy, Puspa Aryal, Sara Robinson, Raheemat Rafiu, Mark Obrenovich, George Perry Feb 2020

Polyphenols In Alzheimer’S Disease And In The Gut–Brain Axis, V. Prakash Reddy, Puspa Aryal, Sara Robinson, Raheemat Rafiu, Mark Obrenovich, George Perry

Chemistry Faculty Research & Creative Works

Polyphenolic antioxidants, including dietary plant lignans, modulate the gut–brain axis, which involves transformation of these polyphenolic compounds into physiologically active and neuroprotector compounds (called human lignans) through gut bacterial metabolism. These gut bacterial metabolites exert their neuroprotective effects in various neurodegenerative diseases, such as Alzheimer's disease (AD) and Parkinson's disease (PD), and also have protective effects against other diseases, such as cardiovascular diseases, cancer, and diabetes. For example, enterolactone and enterodiol, the therapeutically relevant polyphenols, are formed as the secondary gut bacterial metabolites of lignans, the non-flavonoid polyphenolic compounds found in plant-based foods. These compounds are also acetylcholinesterase inhibitors and …


Synthesis, Characterization, Dna Binding, Topoisomerase Inhibition, And Apoptosis Induction Studies Of A Novel Cobalt(Iii) Complex With A Thiosemicarbazone Ligand, Stephen J. Beebe, Michael J. Celestine, Jimmie L. Bullock, Shayna Sandhaus, Jessa Faye Arca, Donald M. Cropek, Tekettay A. Ludvig, Sydney R. Foster, Jasmine S. Clark, Floyd A. Beckford, Criszcele M. Tano, Elizabeth A. Tonsel-White, Raj K. Gurung, Courtney E. Stankavich, Yuk Ching Tse-Dinh, William L. Jarrett, Alvin A. Holder Feb 2020

Synthesis, Characterization, Dna Binding, Topoisomerase Inhibition, And Apoptosis Induction Studies Of A Novel Cobalt(Iii) Complex With A Thiosemicarbazone Ligand, Stephen J. Beebe, Michael J. Celestine, Jimmie L. Bullock, Shayna Sandhaus, Jessa Faye Arca, Donald M. Cropek, Tekettay A. Ludvig, Sydney R. Foster, Jasmine S. Clark, Floyd A. Beckford, Criszcele M. Tano, Elizabeth A. Tonsel-White, Raj K. Gurung, Courtney E. Stankavich, Yuk Ching Tse-Dinh, William L. Jarrett, Alvin A. Holder

Faculty Publications

In this study, 9-anthraldehyde-N(4)-methylthiosemicarbazone (MeATSC) 1 and [Co(phen)2(O2CO)]Cl·6H2O 2 (where phen = 1,10-phenanthroline) were synthesized. [Co(phen)2(O2CO)]Cl·6H2O 2 was used to produce anhydrous [Co(phen)2(H2O)2](NO3)3 3. Subsequently, anhydrous [Co(phen)2(H2O)2](NO3)3 3 was reacted with MeATSC 1 to produce [Co(phen)2(MeATSC)](NO3)3·1.5H2O·C2H5OH 4. The ligand, MeATSC 1 and all complexes were characterized by elemental analysis, FT IR, UV–visible, and multinuclear NMR ( …


Synthesis And Antitumor Activity Of Potentially Tumor Targeting Analogues Of The Tetrahydrofuran Containing Acetogenins, Patricia Gonzalez Periche Feb 2020

Synthesis And Antitumor Activity Of Potentially Tumor Targeting Analogues Of The Tetrahydrofuran Containing Acetogenins, Patricia Gonzalez Periche

Dissertations, Theses, and Capstone Projects

The tetrahydrofuran containing acetogenins (THF-ACGs) are a naturally occurring class of compounds with potent toxicity against a broad range of tumors, including multidrug resistant (MDR) strains. However, the equally high toxicity to normal cells presents a hurdle for their clinical advancement. This study entails synthetic and tumor targeting strategies that are relevant to their therapeutic development.

Chapter 1 presents a review of the synthesis and biological activity of the THF-ACGs. Chapter 2 covers a modular approach for the synthesis of libraries of THF-ACGs. This strategy is illustrated in the synthesis of C-10 epimers of 4-deoxyannonomontacin (4-DAN), one of the more …


Unraveling The Intermediate Species Of Co3O4 Hollow Spheres For Co2 Photoreduction By In Situ X-Ray Absorption Spectroscopy, Peilei He, Sizhou Yang, Wenhui Hu, Sungsik Lee, Jier Huang Feb 2020

Unraveling The Intermediate Species Of Co3O4 Hollow Spheres For Co2 Photoreduction By In Situ X-Ray Absorption Spectroscopy, Peilei He, Sizhou Yang, Wenhui Hu, Sungsik Lee, Jier Huang

Chemistry Faculty Research and Publications

Nanostructured hollow materials have emerged as a promising class of materials for energy conversion and storage. In this work, we report a Co3O4 hollow sphere nanostructure that can serve as a CO2 reduction catalyst to form CO with high selectivity upon visible-light illumination in the presence of a [Ru(bpy)3]2+ molecular photosensitizer. Using in situ X-ray absorption spectroscopy, we not only showed that the Co center in the Co3O4 hollow sphere is the active site for CO2 reduction but also identified a key intermediate species, that is, a reduced Co …


Plasma Krebs Cycle Intermediates In Nonalcoholic Fatty Liver Disease, Yana Sandlers, Rohan R. Shah, Ryan W. Pearce, Jaividhya Dasarathy, Arthur J. Mccullough, Srinivasan Dasarathy Feb 2020

Plasma Krebs Cycle Intermediates In Nonalcoholic Fatty Liver Disease, Yana Sandlers, Rohan R. Shah, Ryan W. Pearce, Jaividhya Dasarathy, Arthur J. Mccullough, Srinivasan Dasarathy

Chemistry Faculty Publications

Nonalcoholic liver disease (NAFLD) is manifested with a wide spectrum of clinical symptoms and is closely associated with the metabolic syndrome, inflammation, and mitochondrial dysfunction. Although the mechanism of mitochondrial dysfunction in NAFLD is still not fully elucidated, multiple studies have demonstrated evidence of molecular, biochemical, and biophysical mitochondrial abnormalities in NAFLD. Given the association between NAFLD and mitochondrial dysfunction, the aim of this study is to analyze circulating levels of Krebs cycle intermediates in a cohort of NAFLD-affected individuals and matching healthy controls and to correlate our findings with the liver function metrics. Standard serum biochemistry and Krebs cycle …


Development Of An Electrochemical Immunosensor For Direct Detection Of Acrylamide In Food Samples, Pei Ying Lau Feb 2020

Development Of An Electrochemical Immunosensor For Direct Detection Of Acrylamide In Food Samples, Pei Ying Lau

Student Works (2020-2029)

Acrylamide, a potential carcinogen which is mainly found in plant-based food such as potato chips, French fries, bread, biscuit, coffee and coco, after undergoing heating process at temperature above 120°C. The permissible maximum intake of acrylamide is 2.6 μg kg−1 of body weight per day to prevent cancer risk. Due to its neurotoxicity and carcinogenicity, a rapid detection method for acrylamide is strongly needed in food safety concern. Herein, a sample pre-treatment free electrochemical immunosensor was developed based on a displacement assay. In a displacement assay format, an antibody is initially bound to the surface immobilized hapten (analyte analogue) and …


The Use Of A Modified Hess’ Cognitive Rigor Matrix To Assess Students’ Depth Of Knowledge In Key Concepts Of Gas Stoichiometry And Chemical Equilibrium, Maria Greene Feb 2020

The Use Of A Modified Hess’ Cognitive Rigor Matrix To Assess Students’ Depth Of Knowledge In Key Concepts Of Gas Stoichiometry And Chemical Equilibrium, Maria Greene

Dissertations, Theses, and Capstone Projects

The research presented as part of this dissertation is a combination of two separate studies conducted to assess and evaluate undergraduate general chemistry students’ understanding and depth of knowledge (DOK) of concepts in gas stoichiometry and chemical equilibrium. The two separate studies were conducted using a modified Hess Cognitive Rigor Matrix (CRM) to analyze students’ responses to multiple-choice questions (MCQ) and their written rationales to their answer choices. The Hess Cognitive Rigor Matrix, which is an incorporation and coordination of both Bloom’s and Webb’s DOK taxonomies, allowed the facilitation of the opportunity to code students’ written responses across the four …


Hydrophobic Fluoropolymer Nano-Coatings: Study Of Anti-Reflective And Anti-Soiling Properties And Applications, Illya Nayshevsky Feb 2020

Hydrophobic Fluoropolymer Nano-Coatings: Study Of Anti-Reflective And Anti-Soiling Properties And Applications, Illya Nayshevsky

Dissertations, Theses, and Capstone Projects

Anti-reflective, anti-soiling and self-cleaning coatings are currently of interest for photovoltaic (PV) cover glass applications due to their potential to increase the amount of light transmitted through the glass and improve efficiency by reducing the number of contaminants bound to the surface of the glass (soiling). Naturally occurring dew is known to exacerbate soiling via cementation of dust on the glass surface. To address these challenges, fluorinated ethylene-propylene (FEP) polymer coatings were formed on solar cover glass using a lamination-peeling technique. This process forms a thin (thick) polymer coating on the glass with a nano-texture that can be controlled by …


Study Of Reaction Dynamics Of Protonated/Deprotonated And Radical Cations Of Guanine In Nucleobases And Nucleosides: Singlet Oxygen Oxidation, C8-Water Addition, Cross-Linking With Lysine And Base-Pair Dissociation, Yan Sun Feb 2020

Study Of Reaction Dynamics Of Protonated/Deprotonated And Radical Cations Of Guanine In Nucleobases And Nucleosides: Singlet Oxygen Oxidation, C8-Water Addition, Cross-Linking With Lysine And Base-Pair Dissociation, Yan Sun

Dissertations, Theses, and Capstone Projects

Among the four DNA nucleobases, guanine (G) has the lowest oxidation potential and represents a preferential target for oxidation and ionization. This leads to the formation of guanine radical cation (G•+) in various oxidative environments. Of the biologically relevant oxidants, electronically excited singlet oxygen (1O2) exclusively damages the guanine bases and gives rise to mutagenesis, DNA-protein cross-linking and cellular death. Combining our home-made electrospray ionization (ESI) guided-ion-beam tandem mass spectrometer, with reaction potential surface calculations and kinetics modeling, five projects have been accomplished as described below.

In project 1, the reactions of deuterated water …


Leveraging Antibodies For Positron Emission Tomography And Near-Infrared Fluorescence Imaging Of Cancer, Kimberly C. Fung Feb 2020

Leveraging Antibodies For Positron Emission Tomography And Near-Infrared Fluorescence Imaging Of Cancer, Kimberly C. Fung

Dissertations, Theses, and Capstone Projects

The high specificity and affinity of antibodies make them attractive for developing drugs to diagnose and treat cancer. The overarching goal of this work is to explore the synthesis and use of antibody-based imaging agents in preclinical models of cancer. This work can be described as two-fold. In the first part, we investigated how the use of a glycans-specific bioconjugation strategy affects Fc gamma RI binding and why it results in improved in vivo performance of immunoconjugates. To do so, we used the clinically relevant positron emission tomography (PET) imaging agent, 89Zr-DFO-pertuzumab, in mouse models of human breast cancer. …


Computational Modeling Of Charge And Excitation Energy Transfer Dynamics In Complex Environments, Ning Chen Feb 2020

Computational Modeling Of Charge And Excitation Energy Transfer Dynamics In Complex Environments, Ning Chen

Dissertations, Theses, and Capstone Projects

This thesis describes computational simulations of charge and exciton dynamics and quantum calculations of organic conjugated oligomers. A comprehensive computational study of charge hopping dynamics was conducted for a model of disordered chain of sites coupled to quantum environments. Time-dependent mean square displacement, diffusion constant, and mobility were calculated by three different computational methods for solving the master equation, which validate the accuracy of calculations. Approximate rate kernels were also tested to understand the effects of approximations in representing quantum environments. In addition to the effects of temperature and disorder, different values of the gradient in the site energy were …


Investigation On The Potential Of Dried Blood Stain For The Detection Of Amphetamine Type Stimulants By Enhanced Methods Of Liquid Chromatography Tandem-Mass Spectrometry, Ahmad Zubaidi Fathiah Feb 2020

Investigation On The Potential Of Dried Blood Stain For The Detection Of Amphetamine Type Stimulants By Enhanced Methods Of Liquid Chromatography Tandem-Mass Spectrometry, Ahmad Zubaidi Fathiah

Student Works (2020-2029)

The investigation on the potential of dried blood stain for Amphetamine Type Stimulants (ATS) has been divided into four major parts, from which independent conclusions are drawn. The first part is the development and validation of a novel method for the simultaneous determination of the drugs using liquid chromatography with electrospray ionization tandem mass spectrometer (LC-ESI-MS/MS). The method is enhanced from normal Multi-Reaction Mode (MRM) to Multi-Reaction Mode-Enhanced Product Ion Mode- Multi-Reaction Mode 3 (MRM-EPI-MRM3) and tested in whole blood specimens (WBS), dried blood stain (DBS) and urine specimens as well as applied to real forensic cases in Malaysia. The …


Effects Of Molten-Salt Processing Parameters On The Structural And Optical Properties Of Preformed La2zr2o7:Eu3+ Nanoparticles, Mitzy A. Penilla Garcia, Santosh K. Gupta, Yuanbing Mao Feb 2020

Effects Of Molten-Salt Processing Parameters On The Structural And Optical Properties Of Preformed La2zr2o7:Eu3+ Nanoparticles, Mitzy A. Penilla Garcia, Santosh K. Gupta, Yuanbing Mao

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Molten-salt method has been used to synthesize various functional materials, but it has not been employed to adjust the structure, particle size, and properties of preformed particles. To fill the knowledge gap, in this study, we use a molten-salt medium to reprocess preformed La2Zr2O7:5%Eu3+ nanoparticles which were already formed by a molten-salt synthesis (MSS) method. The molten-salt processing is conducted under various conditions in terms of processing time, temperature, and medium. Specifically, within the studied molten-salt processing time (0 h–24 h) at 800°C, 3 h was found to offer the best optical output. In terms of the investigated molten-salt processing …


Ph-Controlled Preferential Binding Of Cucurbit[7]Uril-Coated Iron Oxide Nanoparticles To 6-Mercaptonicotinic Acid For Fluoroscent Detection Of Cadmium Ions In The Solid State, Reem H. Alzard Feb 2020

Ph-Controlled Preferential Binding Of Cucurbit[7]Uril-Coated Iron Oxide Nanoparticles To 6-Mercaptonicotinic Acid For Fluoroscent Detection Of Cadmium Ions In The Solid State, Reem H. Alzard

Chemistry Theses

A host-guest complex of 6-mercaptonicotinic acid (MNA) and cucurbit [7] uril (CB7) was prepared and conjugated to γ-Fe₂O₃ nanoparticles (NPs) to detect toxic cadmium ions in water as a solid-state sensor. The formation of an inclusion host−guest complex with CB7 was confirmed by UV−vis absorption and proton NMR spectroscopy. CB7 preferentially binds the protonated MNA form compared to the neutral form, demonstrated by a binding constant for the protonated form that is four orders of magnitude higher than the neutral form. An increase in the pKa of MNA by 1.2 units was demonstrated after the addition of CB7, …


Td-Dft Spin-Adiabats With Analytic Nonadiabatic Derivative Couplings, Nicole Bellonzi, Ethan Alguire, Shervin Fatehi, Yihan Shao, Joseph E. Subotnik Jan 2020

Td-Dft Spin-Adiabats With Analytic Nonadiabatic Derivative Couplings, Nicole Bellonzi, Ethan Alguire, Shervin Fatehi, Yihan Shao, Joseph E. Subotnik

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

We present an algorithm for efficient calculation of analytic nonadiabatic derivative couplings between spin-adiabatic, time-dependent density functional theory states within the Tamm-Dancoff approximation. Our derivation is based on the direct differentiation of the Kohn-Sham pseudowavefunction using the framework of Ou et al. Our implementation is limited to the case of a system with an even number of electrons in a closed shell ground state, and we validate our algorithm against finite difference at an S1/T2 crossing of benzaldehyde. Through the introduction of a magnetic field spin-coupling operator, we break time-reversal symmetry to generate complex valued nonadiabatic derivative …


Differential Mobility Spectrometry-Mass Spectrometry (Dms-Ms) For Forensic And Nuclear-Forensic Applications, Ifeoluwa Ayodeji Jan 2020

Differential Mobility Spectrometry-Mass Spectrometry (Dms-Ms) For Forensic And Nuclear-Forensic Applications, Ifeoluwa Ayodeji

USF Tampa Graduate Theses and Dissertations

In forensics and nuclear-forensics, the current lab-based analytical technique employed can be laborious, time consuming, and less suitable for in-situ and real time screening. However, it is important to develop fast and fieldable instrumental technique, without a tradeoff for its high throughput, for drug screening and radionuclear analysis. The underlying factors to be considered in the instrument development ranges from: high potency of samples, even at very low concentration; complex nature of samples in the surrounding environment; real-time chemical composition variation; and instrument size, weight and power (SWAP) consideration. Differential mobility spectrometry (DMS), also known as field asymmetric waveform ion …