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Near-Infrared Spectroscopy Of African Tribal Masks, Jordan Smith, Huzaifa Shah, Kaitlyn Parrott 2019 University of Northern Iowa

Near-Infrared Spectroscopy Of African Tribal Masks, Jordan Smith, Huzaifa Shah, Kaitlyn Parrott

Fall 2018 - Chemical Analysis Class Projects

The project attempts to determine the authenticity of African masks using near-infrared spectroscopy.


Toward Unraveling The Mechanisms Of “Green” Mechanochemical Reactions, Richard Chen, Mehmet Kerem Gokus 2019 Old Dominion University

Toward Unraveling The Mechanisms Of “Green” Mechanochemical Reactions, Richard Chen, Mehmet Kerem Gokus

Undergraduate Research Symposium

The mechanical processing of solids, such as milling or grinding powders, often leads to mechanochemical reactions. Mechanochemistry affords “green” synthetic routes avoiding or reducing the use of solvents, thus providing environmentally friendly and cost-effective synthetic alternatives for many materials. The solid-state reactants are usually ground together with small quantities of organic solvents, called “liquid assisted grinding” (LAG). LAG increases the reaction rates, it can yield products from otherwise unreactive mixtures, it increases the products crystallinity, and it selectively leads to crystal structures (polymorphs) of the products, depending on the quantities and physicochemical properties of the liquids used in LAG.

Mechanochemistry ...


Solvation Thermodynamic Mapping In Computer Aided Drug Design, Steven Ramsey 2019 The Graduate Center, City University of New York

Solvation Thermodynamic Mapping In Computer Aided Drug Design, Steven Ramsey

All Dissertations, Theses, and Capstone Projects

The displacement of water from surfaces upon biomolecular recognition and association makes a significant contribution to the free energy changes of these processes. We therefore posit that accurate characterization of local structural and thermodynamic molecular water properties can improve computational model accuracy and predictivity of recognition and association processes. In this thesis, we discuss Solvation Thermodynamic Mapping (STM) methods that we have developed using inhomogeneous fluid solvation theory (IST) to better characterize active site water structural and thermodynamic properties on protein surfaces and the open source tools that we have developed, GIST-CPPTRAJ and SSTMap, which implement these methods which we ...


Bisthioether Stapled Peptides Targeting Polycomb Repressive Complex 2 Gene Repression, Gan Zhang 2019 The Graduate Center, City University of New York

Bisthioether Stapled Peptides Targeting Polycomb Repressive Complex 2 Gene Repression, Gan Zhang

All Dissertations, Theses, and Capstone Projects

Interactions between proteins play a key role in nearly all cellular process, and therefore, disruption of such interactions may lead to many different types of cellular dysfunctions. Hence, pathologic protein-protein interactions (PPIs) constitute highly attractive drug targets and hold great potential for developing novel therapeutic agents for the treatment of incurable human diseases. Unfortunately, the identification of PPI inhibitors is an extremely challenging task, since traditionally used small molecule ligands are mostly unable to cover and anchor on the extensive flat surfaces that define those binary protein complexes. In contrast, large biomolecules such as proteins or peptides are ideal fits ...


Modeling Solid-Phase Microextraction Of Volatile Organic Compounds By Porous Coatings Using Finite Element Analysis, Bulat Kenessov, Miras Derbissalin, Jacek A. Koziel, Dmitry S. Kosyakov 2019 Al-Farabi Kazakh National University

Modeling Solid-Phase Microextraction Of Volatile Organic Compounds By Porous Coatings Using Finite Element Analysis, Bulat Kenessov, Miras Derbissalin, Jacek A. Koziel, Dmitry S. Kosyakov

Agricultural and Biosystems Engineering Publications

Experimental optimization of analytical methods based on solid-phase microextraction (SPME) is a complex and labor-intensive process associated with uncertainties. Using theoretical basics of SPME and finite element analysis software for the optimization proved to be an efficient alternative. In this study, an improved finite element analysis-based model for SPME of volatile organic compounds (VOCs) by porous coatings was developed mainly focussing on the mass transport in coatings. Benzene and the Carboxen/polydimethylsiloxane (Car/PDMS) coating were used as the model VOC and a porous SPME coating, respectively. It has been established that in the coating, volumetric fractions of Carboxen, PDMS ...


On The Role Of Composition And Processing Parameters On The Microstructure Evolution Of Ti-Xmo Alloys, Michael Y. Mendoza, Peyman Samimi, David A. Brice, Iman Ghamarian, Matt Rolchigo, Richard Lesar, Peter Collins 2019 Iowa State University

On The Role Of Composition And Processing Parameters On The Microstructure Evolution Of Ti-Xmo Alloys, Michael Y. Mendoza, Peyman Samimi, David A. Brice, Iman Ghamarian, Matt Rolchigo, Richard Lesar, Peter Collins

Materials Science and Engineering Publications

Laser Engineered Net Shaping (LENS™) was used to produce a compositionally graded Ti-xMo (0 ≤ x ≤ 12 wt %) specimen and nine Ti-15Mo (fixed composition) specimens at different energy densities to understand the composition–processing–microstructure relationships operating using additive manufacturing. The gradient was used to evaluate the effect of composition on the prior-beta grain size. The specimens deposited using different energy densities were used to assess the processing parameters influence the microstructure evolutions. The gradient specimen did not show beta grain size reduction with the Mo content. The analysis from the perspective of the two grain refinement mechanisms based on a ...


Pre-Methylation Of Lignin To Improve Storage Stability Of Oil Produced By Solvent Liquefaction, Jae-Young Kim, Parinaz Hafezi-Sefat, Sarah D. Cady, Ryan G. Smith, Robert C. Brown 2019 Iowa State University

Pre-Methylation Of Lignin To Improve Storage Stability Of Oil Produced By Solvent Liquefaction, Jae-Young Kim, Parinaz Hafezi-Sefat, Sarah D. Cady, Ryan G. Smith, Robert C. Brown

Mechanical Engineering Publications

In this study, we methylated hydroxyl groups (phenolic hydroxyl: Phe-OH and aliphatic hydroxyl: Aliph-OH) in soda lignin (SL) prior to solvent liquefaction to improve storage stability of the resulting oil. We investigated two methylating reagents, dimethyl sulfate (DMS) and dimethyl carbonate (DMC), for selective Phe-OH and total hydroxyl group (Phe-OH and Aliph-OH) blocking. Samples of SL, DMS-SL, and DMC-SL were depolymerized into oils under supercritical ethanol (350 °C). Both methylated lignins produced higher amounts of oils and smaller amounts of char compared to untreated SL due to suppressed charring reactions. Oil produced from SL had relatively higher functional group contents ...


Effect Of Polymer-Surface Mobility On Adhesion In Poly(Methyl Methacrylate)-Tape System, Bhavesh C. Gandhi, Frank D. Blum, Lokeswarappa R. Dharani 2019 Missouri University of Science and Technology

Effect Of Polymer-Surface Mobility On Adhesion In Poly(Methyl Methacrylate)-Tape System, Bhavesh C. Gandhi, Frank D. Blum, Lokeswarappa R. Dharani

Lokeswarappa Dharani

The interaction between two polymer layers, especially adhesion between them, plays an important role in polymer processing and other applications. Detailed knowledge of the molecular structure and dynamics of polymer interfaces, and how they relate to macroscopic mechanical properties, should help designers construct more functional systems. Unfortunately, there have been few studies where both molecular and macroscopic studies have been performed on similar systems. In previous studies from our group, we have probed the dynamics of poly(methyl acrylate) (PMA) and thermal behavior of poly(methyl methacrylate) (PMMA) on silica. These studies helped us paint a picture for strongly bound ...


Effect Of Interfacial Mobility On Flexural Strength And Fracture Toughness Of Glass/Epoxy Laminates, T. W. H. Wang, Frank D. Blum, Lokeswarappa R. Dharani 2019 Missouri University of Science and Technology

Effect Of Interfacial Mobility On Flexural Strength And Fracture Toughness Of Glass/Epoxy Laminates, T. W. H. Wang, Frank D. Blum, Lokeswarappa R. Dharani

Lokeswarappa Dharani

Mechanical testing and surface fractography were used to characterize the fracture of E-glass fiber reinforced epoxy composites as a function of the silane coupling agent used. gamma-Aminopropyltriethoxysilane (APS) and delta-aminobutyltriethoxysilane (ABS) were used because these have been shown to have different interfacial mobilities at multilayer coverage. The values of the properties studied generally increased from untreated c, as determined from a Mode I translaminar fracture toughness tests, for the untreated composites (10.5 ± 0.4 kJ/m2) was lower than that for the ABS-treated composites (14.3 ± 2.1 kJ/m2) which was lower than that for the APS-treated composites ...


The Van Der Waals Fluid’S Liquid Vapor Coexistence Locus, Using Maxima/Gnuplot, Carl W. David 2019 University of Connecticut

The Van Der Waals Fluid’S Liquid Vapor Coexistence Locus, Using Maxima/Gnuplot, Carl W. David

Chemistry Education Materials

The Maxima/Gnuplot code for plotting the van der Waals locus of liquid and vapor molar volumes as a function of pressure and temperature (all reduced) is presented.


Protein Conformations In The Gas Phase Probed By Mass Spectrometry And Molecular Dynamics Simulations, Maryam Bakhtiari 2019 The University of Western Ontario

Protein Conformations In The Gas Phase Probed By Mass Spectrometry And Molecular Dynamics Simulations, Maryam Bakhtiari

Electronic Thesis and Dissertation Repository

Mass Spectrometry (MS) has been revolutionized by the ability to produce intact gaseous protein ions by electrospray ionization (ESI). The question to what extent these ions retain solution-like conformations under “native” ESI conditions remains a matter of debate. Traditional high-resolution structure determination techniques only report on proteins in the condensed phase. For this reason, MD simulations play an important role in exploring the behavior of gas phase proteins. In this research, mobile and non-mobile proton MD simulations along with mass spectrometry data at 300 K in both positive and negative ion mode indicated that native-like conformations were largely retained. Surface ...


The Effect Of Vinegar And Tap Water On The Release Of Nickel In Grade 304 Stainless Steel Cups, Caroline Quan 2019 Heathwood Hall Episcopal School, Columbia, SC

The Effect Of Vinegar And Tap Water On The Release Of Nickel In Grade 304 Stainless Steel Cups, Caroline Quan

Journal of the South Carolina Academy of Science

Consumption of nickel rich liquids and foods pose a risk to human health, possibly causing reactions such as dermatitis. This study examines the amount of nickel that leaches out of grade 304 stainless steel cups with respect to time. The hypothesis of this experiment is that if given enough time, the liquids will react to the nickel in the stainless steel cups, and then nickel will leach out into the cup’s contents. The null hypothesis being that if the cups, since they are not given enough time and/or do not react to the nickel in the stainless steel ...


Effect Of Dissolved Salts On The Physiochemical Properties Of Deep Eutectic Solvents, Eleanor Haeska, Megan Radtke 2019 South Dakota State University

Effect Of Dissolved Salts On The Physiochemical Properties Of Deep Eutectic Solvents, Eleanor Haeska, Megan Radtke

The Journal of Undergraduate Research

Green chemistry seeks to make chemical procedures safer, improve reaction efficiency, and utilize environmentally safe reagents. Deep eutectic solvents (DES) have recently become of great interest due to their eco-friendly nature and functionality as solvent for various chemical processes. One key characteristic of DES is their conductive nature and depressed melting point. This project sought to determine the effect of the addition of aqueous solutions of halides on the conductivity of two selected types of DES. Also assessed were the polarity and viscosity of the DES. It can be concluded that aqueous halides had no measureable effect on the conductivity ...


Increased Perchlorate In The Environment Following The 1600 C.E. Huaynaputina Volcanic Eruption, Joseph Gibson, Amanda Shea 2019 South Dakota State University

Increased Perchlorate In The Environment Following The 1600 C.E. Huaynaputina Volcanic Eruption, Joseph Gibson, Amanda Shea

The Journal of Undergraduate Research

Perchlorate is an environmental contaminant that can have adverse health effects on humans. Although our knowledge about how natural perchlorate is formed is very limited, volcanic eruptions are believed to play an important role. An ice core obtained from Summit Station, Greenland was used to study the effects of the Huaynaputina eruption on the amount of perchlorate in the environment. The section of ice core sampled was determined to span the years 1594 through 1610. The results indicate that the Huaynaputina eruption caused a temporary but significant increase in the amount of perchlorate in the atmosphere.


Atomic Force Microscopy Tip-Enhanced Laser Ablation, Fan Cao 2019 Louisiana State University and Agricultural and Mechanical College

Atomic Force Microscopy Tip-Enhanced Laser Ablation, Fan Cao

LSU Doctoral Dissertations

In the present work, an apertureless atomic force microscope (AFM) tip-enhanced laser ablation (TELA) system was developed and investigated. An AFM was coupled to an optical parametric oscillator (OPO) wavelength tunable laser for sample ablation with a submicron sampling size. The AFM was used to image the surface and hold the AFM tip 10 nm above the sample surface. The AFM tip is coated with a layer of gold with a thickness of 35 nm. The incident laser wavelength was tuned in the visible and near-infrared (IR) region and focused on the AFM tip. With the tip-enhancement effect, ablation craters ...


Palladium Complexes Bearing Κ²-N,N And Κ³-N,N,O Pendant Amine Bis(Phenolate) Ligands, Brendan J. Graziano, Eric M. Collins, Nathaniel C. McCutcheon, Claire L. Griffith, Nicole M. Braunscheidel, Trilisa M. Perrine, Bradley M. Wile 2019 Ohio Northern University

Palladium Complexes Bearing Κ²-N,N And Κ³-N,N,O Pendant Amine Bis(Phenolate) Ligands, Brendan J. Graziano, Eric M. Collins, Nathaniel C. Mccutcheon, Claire L. Griffith, Nicole M. Braunscheidel, Trilisa M. Perrine, Bradley M. Wile

Chemistry Faculty Scholarship

The synthesis and characterization of ten new palladium(II) amine bis(phenolate) complexes is reported. Solution and single-crystal X-ray diffraction studies reveal the presence of both κ2-N,N and κ3-N,N,O binding modes in these square planar complexes. For complexes with sterically less demanding phenolate donors, addition of external acidic or basic reagents allows for the selective masking of a coordination site at Pd. Complexes bearing bulky cumyl substituents on phenolate donors exhibited unusual 1H NMR spectroscopic features that are consistent with an anagostic interaction with the palladium center. Computational analysis at the ωB97X-D ...


Effects Of Harvest Time On The Aroma Of White Wines Made From Cold-Hardy Brianna And Frontenac Gris Grapes Using Headspace Solid-Phase Microextraction And Gas Chromatography-Mass Spectrometry-Olfactometry, Somchai Rice, Madina Tursumbayeva, Matthew Clark, David Greenlee, Murlidhar Dharmadhikari, Anne Fennell, Jacek A. Koziel 2019 Iowa State University

Effects Of Harvest Time On The Aroma Of White Wines Made From Cold-Hardy Brianna And Frontenac Gris Grapes Using Headspace Solid-Phase Microextraction And Gas Chromatography-Mass Spectrometry-Olfactometry, Somchai Rice, Madina Tursumbayeva, Matthew Clark, David Greenlee, Murlidhar Dharmadhikari, Anne Fennell, Jacek A. Koziel

Agricultural and Biosystems Engineering Publications

The Midwest wine industry has shown a marked increase in growers, hectares planted, wineries, and wine production. This growth coincides with the release of cold-hardy cultivars such as Brianna and Frontenac gris, in 2001 and 2003, respectively. These white grape varieties account for one-third of the total area grown in the state of Iowa. It is generally accepted that the wine aroma profile plays a crucial role in developing a local, sustainable brand. However, the identity of Brianna/Frontenac Gris-based wine aromas and their link to the grape berry chemistry at harvest is unknown. This study aims to preliminarily characterize ...


Crystallographically Determined Etching And Its Relevance To The Metal-Assisted Catalytic Etching (Mace) Of Silicon Powders, Kurt W. Kolasinski, Bret A. Unger, Alexis T. Ernst, Mark Aindow 2019 West Chester University of Pennsylvania

Crystallographically Determined Etching And Its Relevance To The Metal-Assisted Catalytic Etching (Mace) Of Silicon Powders, Kurt W. Kolasinski, Bret A. Unger, Alexis T. Ernst, Mark Aindow

Chemistry

Metal-assisted catalytic etching (MACE) using Ag nanoparticles as catalysts and H2O2 as oxidant has been performed on single-crystal Si wafers, single-crystal electronics grade Si powders, and polycrystalline metallurgical grade Si powders. The temperature dependence of the etch kinetics has been measured over the range 5–37◦C. Etching is found to proceed preferentially in a h001i direction with an activation energy of ∼0.4 eV on substrates with (001), (110), and (111) orientations. A quantitative model to explain the preference for etching in the h001i direction is developed and found to be consistent with the measured activation energies. Etching of ...


Urease Is An Essential Component Of The Acid Response Network Of Staphylococcus Aureus And Is Required For A Persistent Murine Kidney Infection, Chunyi Zhou, Fatema Bhinderwala, McKenzie K. Lehman, Vinai C. Thomas, Sujata S. Chaudhari, Kelsey J. Yamada, Kirk W. Foster, Robert Powers, Tammy Kielian, Paul D. Fey 2019 University of Nebraska Medical Center

Urease Is An Essential Component Of The Acid Response Network Of Staphylococcus Aureus And Is Required For A Persistent Murine Kidney Infection, Chunyi Zhou, Fatema Bhinderwala, Mckenzie K. Lehman, Vinai C. Thomas, Sujata S. Chaudhari, Kelsey J. Yamada, Kirk W. Foster, Robert Powers, Tammy Kielian, Paul D. Fey

Faculty Publications -- Chemistry Department

Staphylococcus aureus causes acute and chronic infections resulting in significant morbidity. Urease, an enzyme that generates NH3 and CO2 from urea, is key to pH homeostasis in bacterial pathogens under acidic stress and nitrogen limitation. However, the function of urease in S. aureus niche colonization and nitrogen metabolism has not been extensively studied. We discovered that urease is essential for pH homeostasis and viability in urea-rich environments under weak acid stress. The regulation of urease transcription by CcpA, Agr, and CodY was identified in this study, implying a complex network that controls urease expression in response to changes ...


Highly Stable And Efficient All-Inorganic Lead-Free Perovskite Solar Cells With Native-Oxide Passivation, Min Chen, Ming-Gang Ju, Hector F. Garces, Alexander D. Carl, Luis K. Ono, Zafer Hawash, Yi Zhang, Tianyi Shen, Yabing Qi, Ronald L. Grimm, Domenico Pacifici, Xiao Cheng Zeng, Yuanyuan Zhou, Nitin P. Padture 2019 Brown University

Highly Stable And Efficient All-Inorganic Lead-Free Perovskite Solar Cells With Native-Oxide Passivation, Min Chen, Ming-Gang Ju, Hector F. Garces, Alexander D. Carl, Luis K. Ono, Zafer Hawash, Yi Zhang, Tianyi Shen, Yabing Qi, Ronald L. Grimm, Domenico Pacifici, Xiao Cheng Zeng, Yuanyuan Zhou, Nitin P. Padture

Faculty Publications -- Chemistry Department

There has been an urgent need to eliminate toxic lead from the prevailing halide perovskite solar cells (PSCs), but the current lead-free PSCs are still plagued with the critical issues of low efficiency and poor stability. This is primarily due to their inadequate photovoltaic properties and chemical stability. Herein we demonstrate the use of the lead-free, allinorganic cesium tin-germanium triiodide (CsSn0.5Ge0.5I3) solid-solution perovskite as the light absorber in PSCs, delivering promising efficiency of up to 7.11%. More importantly, these PSCs show very high stability, with less than 10% decay in efficiency after ...


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