Chemistry Commons^™

Nmr Characterizations Of Candidate Battery Electrolytes, Stephen A. Munoz

Dissertations, Theses, and Capstone Projects

Enormous strides have been made in next-generation power sources to build a more sustainable society. Energy storage has become a limiting factor in our progress, and there are huge environmental and financial incentives to find the next step forward in battery technology. This work discusses NMR methods for characterizing materials for use in battery application, with a special focus on relaxometry and diffusometry. Examples are provided of various recent investigations involving novel candidate electrolyte materials with different collaborators. Works discussed in this thesis include: the characterization of a new disruptive solid polymer electrolyte technology, investigations of the dynamics of super …

Structure And Thermodynamics Of Polyglutamine Peptides And Amyloid Fibrils Via Metadynamics And Molecular Dynamics Simulations, Riley Workman

Electronic Theses and Dissertations

Aggregation of polyglutamine (polyQ)-rich polypeptides in neurons is a marker for nine neurodegenerative diseases. The molecular process responsible for the formation of polyQ fibrils is not well understood and represents a growing area of study. To enable development of treatments that could interfere with aggregation of polyQ peptides, it is crucial to understand the molecular mechanisms by which polyQ peptides aggregate into fibrils. Many experimental techniques have been employed to probe polyQ aggregation, however, observations from these studies have not lead to a unified understanding of the properties of these systems, instead yielding competing, fragmented theories of polyQ aggregation. This …

Enhanced Acidity Of Acetic And Pyruvic Acids On The Surface Of Water, Alexis J. Eugene, Elizabeth A. Pillar, Agustín J. Colussi, Marcelo I. Guzman

Chemistry Faculty Publications

Understanding the acid–base behavior of carboxylic acids on aqueous interfaces is a fundamental issue in nature. Surface processes involving carboxylic acids such as acetic and pyruvic acids play roles in (1) the transport of nutrients through cell membranes, (2) the cycling of metabolites relevant to the origin of life, and (3) the photooxidative processing of biogenic and anthropogenic emissions in aerosols and atmospheric waters. Here, we report that 50% of gaseous acetic acid and pyruvic acid molecules transfer a proton to the surface of water at pH 2.8 and 1.8 units lower than their respective acidity constants pK_{a …}

Infra-Red Microwave Spectra, Overtones, Degeneracy And Thermal Populations All In One Diagram, Carl W. David

Chemistry Education Materials

An old drawing, which had an error in it, is re-presented (corrected) for understanding the relationships in diatomic vibrational-rotational interactions at the introductory level.

Light Absorption By Polar And Non-Polar Aerosol Compounds From Laboratory Biomass Combustion, Deep Sengupta, Vera Samburova, Chiranjiva Bhattarai, Elena Kirillova, Lynn Mazzoleni, Michealene Iaukea-Lum, Adam Watts, Audrey Khlystov

Department of Chemistry Publications

Fresh and atmospherically aged biomass-burning (BB) aerosol mass is mostly comprised of strongly light-absorbing black carbon (BC) and of organic carbon (OC) with its light-absorbing fraction – brown carbon (BrC). There is a lack of data on the physical and chemical properties of atmospheric BB aerosols, leading to high uncertainties in estimates of the BB impact on air quality and climate, especially for BrC. The polarity of chemical compounds influences their fate in the atmosphere including wet/dry deposition and chemical and physical processing. So far, most of the attention has been given to the water-soluble (polar) fraction of BrC, while …

Anisotropic Conductive Adhesives For Interdigitated Back Contact (Ibc) Silicon Solar Cells, Katherine M. Lohmuste, Manuel Schnabel, Maikel F.A.M. Van Hest

STAR Program Research Presentations

The current manufacturing process for solar panels using interdigitated back contact (IBC) silicon solar cells involves a multi-step metallization and interconnection process in which a substantial amount of silver is used. This work focuses on a new process using conductive adhesives (CA) which would increase efficiency and lower cost through a one-step metallization and interconnection process that combines with encapsulation using little silver and only requiring metal patterning on the back sheet or back glass. It would also not require direct metallization of the silicon, which would result in fewer defects, while increasing voltage and therefore efficiency. Silver-coated Poly(Methyl Methacrylate) …

A System For Conducting Laser-Induced Fluorescence Measurements On Gas Mixtures Exposed To Alpha Radiation, Patrick Ables

Master's Theses

This paper documents modifications to an existing vacuum system to allow laser-induced fluorescence spectroscopy measurements within simulated atmospheres under a variety of conditions. This added capability will expand the laboratory’s ability to experimentally validate a computational model that calculates the effects of radiation within the atmosphere. The computational model could reveal radiation-induced chemical products that can be used to develop an alternative detection method that can be implemented from a safe distance. The selection of molecules for experimental validation has been limited to those which can be detected utilizing cavity ringdown spectroscopy. The current model indicates nitric oxide and ozone …

Crystallographic Exploration Of Fundamental Technetium Species At Nonambient Conditions, Daniel S. Mast

UNLV Theses, Dissertations, Professional Papers, and Capstones

The study of mater under extreme conditions has yielded fascinating insight into the physical and chemical nature of materials that under more modest conditions are considered mundane but have quite unusual properties when under pressure. Examples of this are the lightest of elements found in the first two rows and in the heaviest elements of the lanthanide and actinide series. Pure elements, though the simplest possible chemical systems, have proven to be among the most complex and interesting. Technetium metal is a simple HCP transition metal that, due to its half-filled d-shell, has a rich chemistry and an important place …

59th Annual Rocky Mountain Conference On Magnetic Resonance

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 59th annual meeting of the Rocky Mountain Conference on Magnetic Resonance, co-endorsed by the Colorado Section of the American Chemical Society and the Society for Applied Spectroscopy. Held in Snowbird, Utah, July 22-27, 2018.

Nanostructured Fibers As A Versatile Photonic Platform: Radiative Cooling And Waveguiding Through Transverse Anderson Localization, Norman Nan Shi, Cheng-Chia Tsai, Michael J. Carter, Jyotirmoy Mandal, Adam C. Overvig, Matthew Y. Sfeir, Ming Lu, Catherine L. Craig, Gary D. Bernard, Yuan Yang, Nanfang Yu

Publications and Research

Broadband high reflectance in nature is often the result of randomly, three-dimensionally structured materials. This study explores unique optical properties associated with one-dimensional nanostructures discovered in silk cocoon fibers of the comet moth, Argema mittrei. The fibers are populated with a high density of air voids randomly distributed across the fiber cross-section but are invariant along the fiber. These filamentary air voids strongly scatter light in the solar spectrum. A single silk fiber measuring ~50 μm thick can reflect 66% of incoming solar radiation, and this, together with the fibers' high emissivity of 0.88 in the mid-infrared range, allows …

Spectroscopy And Formation Of Lanthanum-Hydrocarbon Radicals Formed By C—H And C—C Bond Activation Of 1-Pentene And 2-Pentene, Wenjin Cao, Yuchen Zhang, Silver Nyambo, Dong-Sheng Yang

Chemistry Faculty Publications

La atom reactions with 1-pentene and 2-pentene are carried out in a laser-vaporization molecular beam source. The two reactions yield the same metal-hydrocarbon products from the dehydrogenation and carbon–carbon bond cleavage of the pentene molecules. The dehydrogenated species La(C₅H₈) is the major product, whereas the carbon–carbon bond cleaved species La(C₂H₂) and La(C₃H₄) are the minor ones. La(C₁₀H₁₈) is also observed and is presumably formed by La(C₅H₈) addition to a second pentene molecule. La(C₅H₈) and La(C_{2 …}

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Laser-Induced Fluorescence Detection Of The Elusive Sicf Free Radical, Gretchen Rothschopf, Tony C. Smith, Dennis J. Clouthier

Chemistry Faculty Publications

The SiCF free radical has been spectroscopically identified for the first time. The radical was produced in an electric discharge jet using CF₃Si(CH₃)₃ or CF₃SiH₃ vapor in high pressure argon as the precursor. The laser-induced fluorescence spectrum of the à ²Σ⁺ − X̃ ²Π band system in the 610 − 550 nm region was recorded and the ²Π_3/2 spin component of the 0—0 band was studied at high resolution. Rotational analysis gave the B values for the combining states, and by fixing the CF bond lengths at …

Mini‐Review: The Promise Of Piezoelectric Polymers, Timothy D. Usher, Kimberley R. Cousins, Renwu Zhang, Stephen Ducharme

Physics Faculty Publications

Recent advances provide new opportunities in the field of polymer piezoelectric materials. Piezoelectric materials provide unique insights to the fundamental understanding of the solid state. In addition, piezoelectric materials have a wide range of applications, representing billions of dollars of commercial applications. However, inorganic piezoelectric materials have limitations that polymer ferroelectric materials can overcome, if certain challenges can be addressed. This mini-review is a practical summary of the current research and future directions in the investigation and application of piezoelectric materials with an emphasis on polymeric piezoelectric materials. We will assume that the reader is well versed in the subject …

Molecular Assembly Of Monolayer-Protected Gold Nanoparticles And Their Chemical, Thermal, And Ultrasonic Stabilities, Steven Ray Isaacs

Masters Theses & Specialist Projects

Gold monolayer-protected nanoclusters (MPCs) with average diameters of 1-5 nm protected by alkane- and arenethiolates were synthesized. Mixed-monolayer protected nanoparticles (MMPCs) were prepared by functionalizing hexanethiolate-protected MPCs with either 11-mercaptoundecanoic acid (MUA-MMPC), 11-mercaptoundecanol (MUO-MMPC), or 4-aminothiophenol (ATP-MMPC) using ligand place exchange. Presentation of various chemical reagents such as nucleophile, acid, or base and change in physical environment through ultrasonic and thermal irradiation resulted in changes to particles and their physical properties. Thermogravimetric analysis (TGA) was used to measure maximum temperature of the derivated thermogravimetric peaks (Tmax,DTG) as a means of comparing temperature dependence of mass loss. The absorption spectrum within …

Study Of The Visual Adaptation Mechanism In Marine Species With The Change Of Habitation Depth., Demid Osipov, Daniil Moshnikov

The International Student Science Fair 2018

The goal of our work was to determine the principal mechanisms that provide the difference in visual perception of two marine species that live on different depths: T. Pacificus and O. Vulgaris. In nature, visual perception of species that live deeper is shifted towards the blue region. This is related to the fact that red, orange and yellow light is absorbed more strongly by water than the blue light. On the other hand, the visual perception spectrum of an animal is determined by the absorption spectrum of the "light sensor" located in rods and cones of its eye retina. These …

Recommended Corrective Security Measures To Address The Weaknesses Identified Within The Shapash Nuclear Research Institute, Khadija Moussaid, Oum Keltoum Hakam

International Journal of Nuclear Security

The Shapash Nuclear Research Institute (SNRI) data book was issued by the International Atomic Energy Agency (IAEA) in 2013. The hypothetical facility data book describes the hypothetical site, which is divided into two areas: the low-security area, known as the administrative area, and the very high-security area, known as the protected area. The book contains detailed descriptions of each area’s safety and security measures, along with figures of multiple buildings in both areas, and also includes information about the site’s computer networks.

This paper aims to identify security weaknesses related to the institute’s location, the Administrative Area (AA), the Protected …

Super‐Resolution Imaging Of Amyloid Structures Over Extended Times By Using Transient Binding Of Single Thioflavin T Molecules, Kevin Spehar, Tianben Ding, Yuanzi Sun, Niraja Kedia, Jin Lu, George R. Nahass, Matthew D. Lew, Jan Bieschke

Electrical & Systems Engineering Publications and Presentations

Oligomeric amyloid structures are crucial therapeutic targets in Alzheimer's and other amyloid diseases. However, these oligomers are too small to be resolved by standard light microscopy. We have developed a simple and versatile tool to image amyloid structures by using thioflavin T without the need for covalent labeling or immunostaining. The dynamic binding of single dye molecules generates photon bursts that are used for fluorophore localization on a nanometer scale. Thus, photobleaching cannot degrade image quality, allowing for extended observation times. Super‐resolution transient amyloid binding microscopy promises to directly image native amyloid by using standard probes and record amyloid dynamics …

Accelerated Broadband Spectra And Attosecond Charge Migration Simulations Using Real-Time Time-Dependent Density Functional Theory, Adam S. Bruner

LSU Doctoral Dissertations

In this dissertation, the calculations of light-matter interactions offer insight into the structure and dynamical response of electrons in molecular systems. Such information is useful for characterizing molecules, electronic structure, photochemistry, photomaterials, and a host of other applications. In the first part of this work, simulations of broadband absorption spectra are accelerated by the use of Pad´e approximanants of Fourier Transforms and dipole decomposition. Electronic absorption spectra from valence and core levels are obtained using time-dependent methods and compared to results from established perturbative techniques. In addition, core level absorption spectra are calculated for a nickel porphyrin and shown to …

The Spin-Forbidden A^4z-—X^2n(1/2) Transition Of Geh Detected In Absorption Using Intracavity Laser Spectroscopy, James O'Brien, L. O'Brien, L. Harms

Chemistry & Biochemistry Faculty Works

The a 4Σ--X 2Π1/2 transition of GeH has been recorded in absorption for the first time using Intracavity Laser Spectroscopy (ILS). The GeH molecules were produced in a 0.40-0.60 A DC plasma discharge inside an aluminum hollow cathode, using 500 mTorr of Ar, 100 mTorr of H2, and 200 mTorr of GeH4. This cathode is located within the resonator cavity of a Coherent Verdi™ V-10 pumped dye laser. Effective path lengths for this series of measurements using the ILS method ranged from 2 to 7 km. Spectra were calibrated using the absorption spectrum of I2 collected from an extracavity cell, …

Spectroscopy And Formation Of Lanthanum-Hydrocarbon Radicals Formed By Association And Carbon-Carbon Bond Cleavage Of Isoprene, Wenjin Cao, Dilkrushi Hewage, Dong-Sheng Yang

Chemistry Faculty Publications

La atom reaction with isoprene is carried out in a laser-vaporization molecular beam source. The reaction yields an adduct as the major product and C—C cleaved and dehydrogenated species as the minor ones. La(C₅H₈), La(C₂H₂), and La(C₃H₄) are characterized with mass-analyzed threshold ionization (MATI) spectroscopy and quantum chemical computations. The MATI spectra of all three species exhibit a strong origin band and several weak vibronic bands corresponding to La-ligand stretch and ligand-based bend excitations. La(C₅H₈) is a five-membered metallacycle, whereas La(C₂H_{2 …}

Diagnostic Platform For Current Health Status Monitoring, Albert S. Benight, Megan M. Koslen, Matthew W. Eskew

Student Research Symposium

Our approach is based on physical measurements of blood plasma and exploits the plethora of information contained in the human plasma proteome, as a reporter of human health status. The assay involves collection and analysis ofthermograms of plasma from human blood measured by differential scanning calorimetry (DSC).

Plasma thermograms arise from the temperature-induced denaturation profile of proteins within blood plasma measured by DSC. This insightful measurement thereby provides a snapshot of the current state of the human plasma proteome which directly informs on overall systemic health. Such measurements have been shown to be highly accurate and sensitive indicators of health …

Developing Kenya’S Educational Capacity In Nuclear Security Through Nuclear Forensics Research, Hudson Kalambuka Angeyo

International Journal of Nuclear Security

Nuclear energy’s distinctive characteristics give rise to special educational requirements. These requirements are necessary to not only address the danger of nuclear proliferation, but also to build capacity for a secure nuclear fuel circle. In this paper, I assess the status of educational capacity in nuclear security both in response to, and in support of, Kenya’s nuclear power program. I highlight the nuclear security educational infrastructure’s key features in the context of nuclear power, noting the low capacity at Kenyan universities. I identify the steps required to ensure that the country’s dynamic nuclear regulatory infrastructural framework is used effectively to …

Time-Dependent Efficiency Measurements Of Polymer Solar Cells With Dye Additives: Unexpected Initial Increase Of Efficiency, Kyle J. Bandaccari, Grace E. Chesmore, Mitchel Bugaj, Parisa Tajalli-Tehrani Valverde, Richard P. Barber Jr., Brian J. Mcnelis

Physics

We report the effects of the addition of two azo-dye additives on the time-dependent efficiency of polymer solar cells. Although the maximum efficiencies of devices containing different amounts of dye do not vary greatly over the selected concentration range, the time dependence results reveal a surprising initial increase in efficiency in some samples. We observe this effect to be correlated with a leakage current, although a specific mechanism is not yet identified. We also present the measured lifetimes of these solar cells, and find that variations in dye concentrations produce a small effect at most. Characterization of the bulk heterojunction …

Characterization Of Polymers Containing Ferrocene And Imidazole With Density Functional Theory, Eric Mullins

Electronic Theses & Dissertations

Electrochemical and UV-Vis studies on these polymers in the presence of aqueous solutions containing metal ions have revealed significant modifications in the electrochemical properties and absorption spectra. These modifications in electrochemical properties could be attributed to the ability of the imidazole to coordinate with metal ions, increasing its electron deficiency and enhancing oxidization of the nearby ferrocene moiety if it is in close proximity with imidazole. However, the mechanism of interaction between the imidazole and metal ions, as well as the equilibrium geometry of the resulting polymer-metal ion complex is unknown.

In this thesis, density functional theory (DFT) was used …

Factors Affecting The Number And Type Of Student Research Products For Chemistry And Physics Students At Primarily Undergraduate Institutions: A Case Study., Birgit Mellis, Patricia Soto, Chrystal D. Bruce, Graciela Lacueva, Anne Wilson, Rasitha Jayasekare

2018 Faculty Bibliography

For undergraduate students, involvement in authentic research represents scholarship that is consistent with disciplinary quality standards and provides an integrative learning experience. In conjunction with performing research, the communication of the results via presentations or publications is a measure of the level of scientific engagement. The empirical study presented here uses generalized linear mixed models with hierarchical bootstrapping to examine the factors that impact the means of dissemination of undergraduate research results. Focusing on the research experiences in physics and chemistry of undergraduates at four Primarily Undergraduate Institutions (PUIs) from 2004–2013, statistical analysis indicates that the gender of the student …

Nadph-Cytochrome P450 Oxidoreductase: Extraction Of The Full-Length Protein And Methyl-Trosy Nmr Of The Soluble Mutants, Sara Ali Jamal Arafeh

Master's Theses (2009 -)

NADPH-cytochrome p450 oxidoreductase (CYPOR) is a membrane-bound protein in living cells. CYPOR delivers electrons to cytochrome p450 proteins (CYPs) to catalyze metabolism of drugs and synthesis of steroids. Extraction and solubilization of CYPOR from the membrane is typically done with the TritonX-100 detergent. The amount of the solubilized protein by this detergent, however, remains relatively low to structurally analyze CYPOR with NMR spectroscopy. The goal of the first project in this thesis was to optimize the amount of the extracted CYPOR from the E. coli membrane using various detergents and additives. To this aim, non-ionic detergents with variable hydrophobicity (TritonX-100, …

Volume 10, Taylor Hogg, Tiffany Carter, Brandyn Johnson, Haleigh James, Josh Baker, Tyler Cernak, Kirsten Bauer, Allie Snavely, Mary Zell Galen, Eric Powell, Thomas Wise, Katie Kinsey, Beth Barbolla, Maeleigh Ferlet, Rebecca Morra, Michala Day, Alexandra Evangelista, Max Flores, Harley Hodges, Clardene Jones, Harrison Samaniego, Jamesha Watson, Abby Gargiulo, Heather Green, Haley Klepatzki, Juan Guevara, Dani Bondurant, Michael Joseph Link Jr., Pamela Dahl, Maeve Losen, Charlotte Murphey

Incite: The Journal of Undergraduate Scholarship

Introduction Dr. Roger A. Byrne

An Analysis of Media Framing in Cases of Violence Against Women by Taylor Hogg

Writing in the Discipline of Nursing by Tiffany Carter

Photography by Brandyn Johnson

The Hidden Life of Beef Cattle: A Study of Cattle Welfare on Traditional Ranches and Industrial Farms by Haleigh James

Bloodworth's by Josh Baker and Tyler Cernak

Prosimians: Little Bodies, Big Significance by Kirsten Bauer

Skinformed by Allie Snavely

Coopertition and Gracious Professionalism: The Effects of First Robotics Folklore and Culture on the Stem Community by Mary Zell Galen

Tilt by Eric Powell And Thomas Wise

The Millennial …

Functionalized Nanoporous Carbon Scaffolds For Hydrogen Storage Applications, Christopher Carr

Dissertations

Recent efforts have demonstrated confinement in porous scaffolds at the nanoscale can alter the hydrogen sorption properties of metal hydrides, though not to an extent feasible for use in onboard hydrogen storage applications, proposing the need for a method allowing further modifications. The work presented here explores how the functionalization of nanoporous carbon scaffold surfaces with heteroatoms can modify the hydrogen sorption properties of confined metal hydrides in relation to non-functionalized scaffolds (FS). Investigations of nanoconfined LiBH₄and NaAlH₄indicate functionalizing the carbon scaffold surface with nitrogen can shift the activation energy of hydrogen desorption in excess of …

Improving Fallout Characterization By Using Multivariate Techniques To Determine Composition, Christopher R. Pitkins

Theses and Dissertations

Multivariate statistical techniques have been applied in order to un-mix nuclear fallout debris chemical data. This information is critical to characterization of fallout particle formation following a nuclear detonation. Understanding the correlation between environmental precursors and actinide concentrations in post-detonation nuclear fallout material aids in understanding the physical and chemical processes that alter nuclear device signatures in the fireball. This research examines 123 nuclear fallout samples from a historical nuclear test. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) are used to collect chemical compositions of the fallout samples. Principal component analysis (PCA) is applied in order to examine …