Open Access. Powered by Scholars. Published by Universities.®

Chemistry Commons

Open Access. Powered by Scholars. Published by Universities.®

23,561 Full-Text Articles 34,436 Authors 3,813,508 Downloads 259 Institutions

All Articles in Chemistry

Faceted Search

23,561 full-text articles. Page 8 of 603.

Inorganic Electrocatalysts For Innovative Water Splitting And Organic Upgrading, Nan Jiang 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, Stacey N. Anderson 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 ...


Quantum Mechanical Studies Of N-H···N Hydrogen Bonding In Acetamide Derivatives And Amino Acids, Sandra J. Lundell 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 ...


Shorter And Improved Access To The Key Tetracyclic Core Of Sarpagine-Macroline-Ajmaline Indole Alkaloids: The Total Synthesis Of Alkaloids Macrocarpines A-G, Talcarpine, N(4)-Methyl-N(4),21-Secotalpinine, Deoxyperaksine, Dihydroperaksine, Talpinine, O-Acetyltalpinine, And N(4)-Methyltalpinine, Md Toufiqur Rahman 2018 University of Wisconsin-Milwaukee

Shorter And Improved Access To The Key Tetracyclic Core Of Sarpagine-Macroline-Ajmaline Indole Alkaloids: The Total Synthesis Of Alkaloids Macrocarpines A-G, Talcarpine, N(4)-Methyl-N(4),21-Secotalpinine, Deoxyperaksine, Dihydroperaksine, Talpinine, O-Acetyltalpinine, And N(4)-Methyltalpinine, Md Toufiqur Rahman

Theses and Dissertations

Extension of the asymmetric Pictet-Spengler (P-S) reaction to bulkier Nb-alkylated tryptophan derivatives resulted in a shorter and improved stereospecific access to the key bicyclo[3.3.1]nonane framework of bioactive C-19 methyl substituted sarpagine/macro-line/ajmaline indole alkaloids with excellent diastereoselectivity via internal asymmetric induction. The asymmetric Pictet-Spengler/Dieckmann protocol with bulky Nb-alkyl substituted systems enabled a more direct and two-step shorter route to this key architecture. Complete stereocontrol of the C-19 methyl function in either the α- or β-configuration was achieved which would enable one to gain rapid access to the crucial intermediates for the total synthesis of ...


The Regional Distribution And Molecular Interactions Of Phospholipids And Glucose In Mammalian Vitreous Humors., Abigail Nicole Schnepf 2018 University of Louisville

The Regional Distribution And Molecular Interactions Of Phospholipids And Glucose In Mammalian Vitreous Humors., Abigail Nicole Schnepf

Electronic Theses and Dissertations

The vitreous humor (VH) is located in between the lens and the retina. It is composed of 98% water, hyaluronan (HA), collagen, proteins, phospholipids (PLs), and other metabolites. With aging, the VH undergoes liquefaction, a process that causes the gel-like structure of the VH to turn into a liquid and can lead to serious ocular diseases, including retinal detachment, vitreal detachment, and macular hole formation. The liquefaction process is expedited in diabetic VHs. This project focuses on understanding the molecular changes that lead to liquefaction and the reasons for which this process is accelerated with diabetes. Matrix-assisted laser desorption ionization ...


Synthesis Of Dicamba Glucosides For The Study Of Environmental Dicamba Drift Effects On Soybeans, Holly Wallace 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 ...


Assessing Biofiltration Without Ozonation For Removal Of Trihalomethane Precursors In Drinking Water At The Beaver Water District Drinking Water Treatment Plant, Sana Ajaz 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 ...


Diamond Intracrystalline Stable Isotope Chemical Image Analysis By Time-Of-Flight Secondary Ionization Mass Spectrometery, Tyler J. Sundell 2018 Missouri State University

Diamond Intracrystalline Stable Isotope Chemical Image Analysis By Time-Of-Flight Secondary Ionization Mass Spectrometery, Tyler J. Sundell

MSU Graduate Theses

The chemical resistance of diamond allows in-situ study of the diamond source regions. For a majority of gem quality diamonds, this source region is the sublithospheric mantle keel of a cratonic nuclei. Through analysis of stable isotopes, radiogenic isotopes and trace elements, diamond geochemical analyses can define chemical fluxes in the mantle keel. However, such studies require multiple methodologies for each chemical suite, high spatial resolution and analytical precision. Here, I evaluate Time-of-Flight Secondary Ionization Mass Spectrometer (ToF-SIMS) as an alternative method for diamond geochemical analyses. ToF-SIMS analysis can perform in cation and anion mode to measure the entire periodic ...


Molecular Dynamics Investigation Of The Thermodynamics Of Nanoscale Droplets And Kinetics Of Weakly Correlated Systems, Kai Yang Leong 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 ...


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 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, Navneet S. Khetrapal 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, Kurt W. Kolasinski 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, Caitlyn R. Witkowski, Johan W. H. Weijers, Brian S. Blais, Stefan Schouten, Jaap S. Sinninghe Damsté 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, Nathan Daniel Kersker 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, 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 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, Carl W. David 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, Philippe F. Weck, Eunja Kim, Margaret E. Gordon, Jeffrey A. Greathouse, Remi Dingreville, Charles R. Bryan 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, Denana Miodragovic 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, Kenneth T. Nicholson 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, Charles Abrams 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.


Digital Commons powered by bepress