Synthesis Of Dicamba Glucosides For The Study Of Environmental Dicamba Drift Effects On Soybeans,
2018
University of Arkansas, Fayetteville
Synthesis Of Dicamba Glucosides For The Study Of Environmental Dicamba Drift Effects On Soybeans, Holly Wallace
Theses and Dissertations
The most popular herbicide used for weed control has been glyphosate for many years in the Midwestern United States. Plants have begun to develop a resistance to glyphosate due to over use of the herbicide. This herbicide resistance has pushed farmers to turn to alternative herbicides such as dicamba and 2,4-D. Recently agrochemical companies have developed genetically modified crops that are resistant to herbicides such as dicamba. These modified crops allow farmers to spray their fields with dicamba without fear of crop damage. Farmers of non-genetically modified crops, however, suffer damage and loss of yield from herbicide drift effects ...
Molecular Dynamics Investigation Of The Thermodynamics Of Nanoscale Droplets And Kinetics Of Weakly Correlated Systems,
2018
University of Arkansas, Fayetteville
Molecular Dynamics Investigation Of The Thermodynamics Of Nanoscale Droplets And Kinetics Of Weakly Correlated Systems, Kai Yang Leong
Theses and Dissertations
The surface tension of nanoscale droplets of water was studied with molecular dynamics simulations using the BLYPSP-4F water potential. The internal pressure of the droplet was measured using a correlation between the pressure and density, established through a series of bulk simulations performed at pressures from 1 to 1000 bar. Such a procedure allows for reliable determination of internal pressure without the need to calculate the local Virial. The surface tension, estimated with the Young-Laplace relation, shows a good agreement with the Tolman equation with a Tolman length of -0.48 Å. The interface of a liquid water droplet is ...
Assessing Biofiltration Without Ozonation For Removal Of Trihalomethane Precursors In Drinking Water At The Beaver Water District Drinking Water Treatment Plant,
2018
University of Arkansas, Fayetteville
Assessing Biofiltration Without Ozonation For Removal Of Trihalomethane Precursors In Drinking Water At The Beaver Water District Drinking Water Treatment Plant, Sana Ajaz
Theses and Dissertations
Biofiltration without pre-ozonation has the capability to remove natural organic matter (NOM) fractions that serve as precursors of disinfection byproducts (DBPs), which include the four regulated trihalomethanes (THMs) and dichloroacetonitrile (DCAN). Rapid small-scale column tests (RSSCTs) and Pilot Plant filters operated at empty-bed contact times (EBCTs) of 4, 8, and 16 minutes were used to evaluate the performance of nutrient-amended (free ammonia and phosphorus) biofiltration for THM and DCAN precursor removal, as measured using formation potential (FP) tests. NOM surrogates – which include dissolved organic carbon (DOC), specific ultraviolet absorbance (SUVA254) and fluorescence-PARAFAC components – were measured weekly throughout the 30-week study ...
Quantum Mechanical Studies Of N-H···N Hydrogen Bonding In Acetamide Derivatives And Amino Acids,
2018
Utah State University
Quantum Mechanical Studies Of N-H···N Hydrogen Bonding In Acetamide Derivatives And Amino Acids, Sandra J. Lundell
All Graduate Theses and Dissertations
Proteins are made of vast chains of amino acids that twist and fold into intricate designs. These structures are held in place by networks of noncovalent interactions. One of these, the hydrogen bond, forms bridges between adjacent pieces of the protein chain and is one of the most important contributors to the shape and stability of proteins. Hydrogen bonds come in all shapes and sizes and a full understanding of these not only aids in our understanding of proteins in general but can bridge the gap to finding cures to many protein-related diseases, such as sickle-cell anemia. The primary aim ...
Inorganic Electrocatalysts For Innovative Water Splitting And Organic Upgrading,
2018
Utah State University
Inorganic Electrocatalysts For Innovative Water Splitting And Organic Upgrading, Nan Jiang
All Graduate Theses and Dissertations
The booming worldwide demand for energy and the increasing concerns about global warming due to fossil fuel consumption have urged the development of techniques for storing and converting renewable and clean energy resources. Electrocatlytic or photoelectrocatalytic water splitting to generate green energy carrier H2 with sustainable energy input, like solar, has been regarded as an attractive strategy for carbon-neutral energy needs. However, the sluggish kinetics for both half reactions (HER and OER), high overpotentials and thermodynamic requirements, and H2 and O2 gas crossover have been regarded as the major challenges, which limit its widespread application.
On account ...
Carbon Monoxide On Demand: Light-Induced Co Release Of Flavonols,
2018
Utah State University
Carbon Monoxide On Demand: Light-Induced Co Release Of Flavonols, Stacey N. Anderson
All Graduate Theses and Dissertations
Carbon monoxide (CO) is an extremely useful molecule with applications in industrial manufacturing, synthetic procedures as a C1 building block, and as a potential pharmaceutical to produce anti-inflammatory effects and vasodilation. However, the toxicity associated with CO has prevented its full utilization. In order to safely handle CO, compounds and molecules have been developed that act as storage materials for the gas. Ideal storage platforms only release CO upon stimulation via a trigger. Light activation is the most desirable trigger as it can be regulated in terms of the intensity and the wavelength of light used. The majority of light-induced ...
Synthesis, Characterization, And Catalytic Activity Of Copper Palladium Oxide Solid Solutions.,
2018
University of Nebraska-Lincoln
Synthesis, Characterization, And Catalytic Activity Of Copper Palladium Oxide Solid Solutions., Gregory L. Christensen
Student Research Projects, Dissertations, and Theses - Chemistry Department
CuxPd1-xO forms a homogeneous solid solution over the wide range of 0 ≤ x ≤ 0.725 in which compositional variation can be correlated with structural and chemical environmental changes. After a small lag at low Cu2+ concentrations, where the lattice cell parameters are pinned to that of the pure PdO structure, CuxPd1-xO lattice parameters follow Vegard’s law in which the cell volume decreases linearly with x, indicating a homogenous solution in which Cu2+ randomly replaces the larger Pd2+ cation. The crystal structure also undergoes an increase in the c ...
Binding Of Telomestatin, Tmpyp4, Bsu6037, And Braco19 To A Telomeric G-Quadruplex-Duplex Hybrid Probed By All-Atom Molecular Dynamics Simulations With Explicit Solvent.,
2018
Rowan University
Binding Of Telomestatin, Tmpyp4, Bsu6037, And Braco19 To A Telomeric G-Quadruplex-Duplex Hybrid Probed By All-Atom Molecular Dynamics Simulations With Explicit Solvent., Holli-Joi Sullivan, Carolyn Readmond, Christina Radicella, Victoria Persad, Thomas J Fasano, Chun Wu
Faculty Scholarship for the College of Science & Mathematics
A promising anticancer therapeutic strategy is the stabilization of telomeric G-quadruplexes using G-quadruplex-binding small molecules. Although many G-quadruplex-specific ligands have been developed, their low potency and selectivity to G-quadruplexes over duplex remains unsolved. Recently, a crystal structure of a telomeric 3' quadruplex-duplex hybrid was reported and the quadruplex-duplex interface was suggested to a good target to address the issues. However, there are no high-resolution complex structures reported for G-quadruplex ligands except for a docked BSU6037. In this study, molecular dynamic (MD) binding simulations with a free ligand were used to study binding poses and dynamics of four representative ligands: telomestatin ...
Global Minimum Search And Carbon Monoxide Binding Studies Of Novel Gold Nanoclusters,
2018
University of Nebraska-Lincoln
Global Minimum Search And Carbon Monoxide Binding Studies Of Novel Gold Nanoclusters, Navneet S. Khetrapal
Student Research Projects, Dissertations, and Theses - Chemistry Department
In bulk form, gold is a well-known noble metal. However, gold nanoparticles exhibit remarkable catalytic behavior towards various types of chemical reactions. These catalytic properties are highly dependent upon the size and shape and therefore knowledge of the geometries of these nanoparticles is of prime importance. The main goal of this dissertation is, therefore, going to be towards the elucidation of the structures of novel gold clusters using a combined experimental and theoretical approach and subsequent modeling to explore the binding of simple substrates like carbon monoxide with gold clusters. The theoretical method used to study the structural evolution of ...
Nano To Global: Small Structures And Their Impact On Energy Markets,
2018
West Chester University of Pennsylvania
Nano To Global: Small Structures And Their Impact On Energy Markets, Kurt W. Kolasinski
Sustainability Research & Creative Activities Seminar Presentations
No abstract provided.
Molecular Fossils From Phytoplankton Reveal Secular Pco2 Trend Over The Phanerozoic,
2018
Utrecht University
Molecular Fossils From Phytoplankton Reveal Secular Pco2 Trend Over The Phanerozoic, Caitlyn R. Witkowski, Johan W. H. Weijers, Brian S. Blais, Stefan Schouten, Jaap S. Sinninghe Damsté
Science and Technology Faculty Journal Articles
Past changes in the atmospheric concentration of carbon dioxide (PCO2) have had a major impact on earth system dynamics; yet, reconstructing secular trends of past PCO2 remains a prevalent challenge in paleoclimate studies. The current long-term PCO2reconstructions rely largely on the compilation of many different proxies, often with discrepancies among proxies, particularly for periods older than 100 million years (Ma). Here, we reconstructed Phanerozoic PCO2 from a single proxy: the stable carbon isotopic fractionation associated with photosynthesis (Ɛp) that increases as PCO2 increases. This concept has been widely applied to alkenones, but here, we expand ...
High-Throughput Assessment Of A Novel, Thiol-Acrylate Hydrogel For Tumor Spheroid Synthesis In A Microfluidic Device,
2018
Louisiana State University and Agricultural and Mechanical College
High-Throughput Assessment Of A Novel, Thiol-Acrylate Hydrogel For Tumor Spheroid Synthesis In A Microfluidic Device, Nathan Daniel Kersker
LSU Master's Theses
The extracellular environment plays an important role in regulating cell behavior. The mechanical, structural, and compositional properties of the extracellular matrix can determine the fate of the growing cells. Standard two-dimensional culturing in a flask fails to represent a native cellular environment. To create the native environment suitable for cells, hydrogels were previously studied. One of the most extensively studied synthetic hydrogels was a poly(ethylene glycol diacrylate) (PEGDA) hydrogel. However, the need for UV polymerization may introduce unwanted changes in cell morphology and viability. The hydrogel being proposed was a form of a thiol-acrylate hydrogel that can eliminate this ...
Synthesis And Characterization Of Cobalt(Ii) N,N′‑Diphenylazodioxide Complexes,
2018
Cleveland State University
Synthesis And Characterization Of Cobalt(Ii) N,N′‑Diphenylazodioxide Complexes, Kylin A. Emhoff, Lakshmi Balaraman, Sydney R. Simpson, Michael L. Stromyer, Haitham F. Kalil, James R. Beemiller, Philipp Sikatzki, Teya S. Eshelman, Ahmed M.H. Salem, Michael A. Debord, Matthew J. Panzer, Wiley J. Youngs, W. Christropher Boyd
Chemistry Faculty Publications
Removal of chloride from CoCl2 with TlPF6 in acetonitrile, followed by addition of excess nitrosobenzene, yielded the eight-coordinate cobalt(II) complex salt [Co{Ph(O)NN(O)- Ph}4](PF6)2, shown by single-crystal X-ray analysis to have a distorted tetragonal geometry. The analogous treatment of the bipyridyl complex Co(bpy)Cl2 yielded the mixed-ligand cobalt(II) complex salt [Co(bpy){Ph(O)NN(O)Ph}2](PF6)2, whose singlecrystal X-ray structure displays a trigonal prismatic geometry, similar to that of the iron(II) cation in the previously known complex salt [Fe{Ph(O ...
Spontaneity,
2018
University of Connecticut
Spontaneity, Carl W. David
Chemistry Education Materials
An attempt is made to better understand thermodynamic spontaneity.
First-Principles Structural, Mechanical, And Thermodynamic Calculations Of The Negative Thermal Expansion Compound Zr2(Wo4)(Po4)2,
2018
Sandia National Laboratories
First-Principles Structural, Mechanical, And Thermodynamic Calculations Of The Negative Thermal Expansion Compound Zr2(Wo4)(Po4)2, Philippe F. Weck, Eunja Kim, Margaret E. Gordon, Jeffrey A. Greathouse, Remi Dingreville, Charles R. Bryan
Physics & Astronomy Faculty Publications
The negative thermal expansion (NTE) material Zr2(WO4)(PO4)2 has been investigated for the first time within the framework of the density functional perturbation theory (DFPT). The structural, mechanical, and thermodynamic properties of this material have been predicted using the Perdew, Burke and Ernzerhof for solid (PBEsol) exchange–correlation functional, which showed superior accuracy over standard functionals in previous computational studies of the NTE material α-ZrW2O8. The bulk modulus calculated for Zr2(WO4)(PO4)2 using the Vinet equation of state at room temperature is K0 = 63.6 GPa, which is in close agreement with the experimental estimate of ...
Arsenoplatins Vs. Combination Of Platinum Drugs And Arsenic Trioxide,
2018
Northeastern Illinois University
Arsenoplatins Vs. Combination Of Platinum Drugs And Arsenic Trioxide, Denana Miodragovic
Faculty Research and Creative Activities Symposium
No abstract provided.
Structural Characterization Of Bacterial Red Light Photoreceptors By Atomic Force Microscopy,
2018
Northeastern Illinois University
Structural Characterization Of Bacterial Red Light Photoreceptors By Atomic Force Microscopy, Kenneth T. Nicholson
Faculty Research and Creative Activities Symposium
No abstract provided.
Molecular Origami For Biochemistry: Paper Models Of Proteins, Carbohydrates, And Nucleic Acids,
2018
Northeastern Illinois University
Molecular Origami For Biochemistry: Paper Models Of Proteins, Carbohydrates, And Nucleic Acids, Charles Abrams
Faculty Research and Creative Activities Symposium
No abstract provided.
Functional Features Defining The Efficacy Of Cholesterol-Conjugated, Self-Deliverable, Chemically Modified Sirnas,
2018
Advirna
Functional Features Defining The Efficacy Of Cholesterol-Conjugated, Self-Deliverable, Chemically Modified Sirnas, Taisia Shmushkovich, Kathryn R. Monopoli, Diana Homsy, Dmitriy Leyfer, Monica Betancur-Boissel, Anastasia Khvorova, Alexey D. Wolfson
Open Access Articles
Progress in oligonucleotide chemistry has produced a shift in the nature of siRNA used, from formulated, minimally modified siRNAs, to unformulated, heavily modified siRNA conjugates. The introduction of extensive chemical modifications is essential for conjugate-mediated delivery. Modifications have a significant impact on siRNA efficacy through interference with recognition and processing by RNAi enzymatic machinery, severely restricting the sequence space available for siRNA design. Many algorithms available publicly can successfully predict the activity of non-modified siRNAs, but the efficiency of the algorithms for designing heavily modified siRNAs has never been systematically evaluated experimentally. Here we screened 356 cholesterol-conjugated siRNAs with extensive ...
Consumption Profiles Of Illicit And Neuropsychiatric Drugs In Urban And Rural Communities In Kentucky Using Sewage Epidemiology,
2018
Murray State University
Consumption Profiles Of Illicit And Neuropsychiatric Drugs In Urban And Rural Communities In Kentucky Using Sewage Epidemiology, Tara Croft, Katelyn Foppe, Rhiannon Huffines, Bikram Subedi
Posters-at-the-Capitol
The drug overdose deaths in the USA increased by ~20% from 2015 to 2016 to the total >63,600 drug overdose deaths in 2016. Kentucky is among the highest rate of drug overdose death states in the USA. The current estimates of the prevalence of substance abuse are based on the self-reported surveys, overdose/toxicological reports, and drug-related crime statistics. Survey-based conventional approaches are not only cost and time-intensive but also underestimate the actual consumption of drugs. As “wastewater never lie,” the drug residues in raw wastewater collected from the centralized wastewater treatment plants were utilized to determine the consumption ...
