Chemistry Commons^™

The Tetrafluoroborate Salt Of 4-Methoxybenzyl N-2-(Dimethylamino)Ethyl-N-Nitrosocarbamate: Synthesis, Crystal Structure And Dft Calculations, Helene Hedian, Vladimir Benin

Chemistry Faculty Publications

The tetrafluoroborate salt of 4-methoxybenzyl N-2-(dimethylamino)ethyl-N-nitrosocarbamate was prepared in two steps, via the corresponding carbamate. Its crystal structure is monoclinic, space group P21/c. The unit cell dimensions are: a = 19.499(8) Å, b = 5.877(3) Å, c = 15.757(7) Å, α = 90°, β = 110.019(7)°, γ = 90°, V = 1696.5(12) Å3, Z = 4. The structure exhibits an unexpected, pseudo-gauche conformation with respect to the C2–C3 bond, due to a stabilizing hydrogen bond between the carbonyl oxygen (O1) and the hydrogen atom at the trialkylammonium center (H3n), with a distance between them of …

Preparation And Characterization Of A Composite Of Gold Nanoparticles And Single-Walled Carbon Nanotubes And Its Potential For Heterogeneous Catalysis, Anne Shanahan, James Sullivan, Mary Mcnamara, Hugh Byrne

Articles

A single-walled carbon nanotube-supported gold nanoparticle composite was prepared and characterized by X-ray diffraction, scanning transmission electron microscopy/scanning electron microscopy/transmission electron microscopy, energy-dispersive X-ray analysis, atomic absorption spectroscopy, nitrogen adsorption, Raman spectroscopy, and ultraviolet-visible spectroscopy. The Au particles were found to be crystalline, with a well-defined and narrow particle-size distribution, centered around 7 nm. The activity and selectivity of the composite for solventless aerobic oxidation of a secondary alcohol were examined, and a conversion efficiency of 95% was obtained.

Excellent Adventures In Global Collaboration, Glenn W. "Max" Mcgee, Aracelys Rios

Publications & Research

No abstract provided.

The Vinylguaiacol/Indole Or Vgi ("Veggie") Ratio: Assessing Relative Contributions Of Terrestrial And Aquatic Organic Matter To Sediments, Michael A. Kruge, Kevin K. Olsen, Jaroslaw W. Slusarczyk, Elaine Gomez

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

In studies of the organic matter (OM) fraction of marine, estuarine, fluvial, or lacustrine sediments, one of the most fundamental distinctions to be made is that between terrestrial and aquatic OM. To supplement the parameters commonly used for this purpose (e.g., C/N and stable isotope ratios), we proposed the Vinylguaiacol/Indole or VGI ("Veggie") ratio, defined as [vinylguaiacol / (indole + vinylguaiacol)] using data produced by analytical pyrolysis-gas chromatography/mass spectrometry of dried, homogenized sediment samples [1]. The ratio employs the peak areas of these two compounds on the mass chromatograms of their molecular ions (m/z 150 and 117, respectively). Major pyrolysis …

Characterization Of Uranium Species In Sediments Under Iron And Sulfate Reducing Conditions Using Synchrotron-Based Techniques, Don Q. Pham, John Bargar

STAR Program Research Presentations

Uranium is one of the most common and problematic contaminants at legacy Department of Energy sites. Groundwater contamination is particularly problematic because it occurs at depth, is present in large volumes, and cannot be easily accessed for clean-up. One method of remediation being investigated is the bioreduction of soluble U(VI) to insoluble U(IV) complexes through the in-situ stimulation of metal-reducing bacteria. Understanding the structure of these uranium complexes can help us determine their fate and stability in groundwater and map out the biological process of uranium reduction by metal-reducing bacteria. In this study, we used the synchrotron-based techniques, X-ray absorption …

Application Of Raman Spectroscopy To Lubricants, Lubricated Surfaces And Lubrication Phenomena, David W. Johnson

Chemistry Faculty Publications

Recent advances in lasers and detector technologies and the development of low-cost instruments and fiber-optic probes have brought about an explosion in the lubrication systems being studied by Raman spectroscopy. This article provides examples of the use of Raman spectroscopy in the study of lubrication phenomena, including the characterization of liquid lubricants, lubricant additives, and solid lubricants; the study of vapor-phase lubrication; and the use of coated nanoparticles as lubricants.

An Assessment Of Stable Hydrogen-Isotope Analysis Methods To Assign Geographic Origin To Migratory Red-Tailed Hawks (Buteo Jamaicensis), Carla Marie Ahlschwede

Department of Environmental Studies: Undergraduate Student Theses

Stable-hydrogen isotopes are becoming an increasingly popular method of studying migratory birds, though sample preparation methods may affect results. In this study I examined feathers from red-tailed hawks (Buteo jamaicensis) to determine the relationship between measure of δD due to inter-feather variation or drying methods, assessed the accuracy of results by using two birds of known-origin and estimated possible natal origins of migratory red-tailed hawks. Two feathers per individual were taken from 81 wild hawks caught at Hitchcock Nature Center near Crescent IA and from 2 rescued red-tailed hawks, Raptor Recovery Nebraska near Eagle, NE. 119 of the …

Approach To Arsenic And Selenium Removal From Fly Ash By Oxalate And Estimation Of Calcium Effects On Both Elements, Ying Wen

Masters Theses & Specialist Projects

An approach to arsenic and selenium removal from fly ash is studied. This research includes a comparison of the leaching ability of ammonium oxalate, ammonium citrate, ammonium nitrate and EDTA to extract arsenic and selenium; use of common agricultural waste as a source of oxalate anion to remove arsenic and selenium from fly ash and estimation of additional calcium effects on arsenic and selenium leaching behaviors.
This research shows that extraction strength order is EDTA > ammonium oxalate > ammonium citrate > ammonium nitrate > water, achieving arsenic extraction efficiencies of 94.18%, 84.17%, 4.50%, 2.89% and 0.18%, respectively; achieving selenium extraction efficiencies of 96.14%, …

Determining The Lon-Exchange Mechanism Of Strontium Into A Niobium Doped Titanosilicate, Samantha Jane Kramer

Masters Theses & Specialist Projects

A 25% niobium substituted sitinakite was exchanged with strontium as time resolved X-ray diffraction data was collected. The structural modeling of this data by Rietveld method1 has lead to the determination of the atomic positions of the ions and unit cell parameters as strontium occupancy increases.

The starting material of the exchange experiment is the protonated phase, H2Nb0.67Ti1.33SiO7·1.9 H2O, with space group P42/mcm2,3. Once strontium (Sr2+) enters the unit cell, extra-framework H2O molecules shift to provide the necessary hydration coordination. These new positions of H2O result in a lowering of symmetry to the P-42m space group, and it is thought …

A Sodium Salt Of The Dimer Of Boronoterephthalic Acid Anhydride, Scott Simmons, Albert Fratini, Vladimir Benin

Chemistry Faculty Publications

The title compound, sodium bis­(6-carb­oxy-1-hy­droxy-3-oxo-1,3-dihydro-2,1-benzoxaborol-1-yl)oxidanium, Na+·C16H15B2O13-, was prepared in two steps from 2-bromo-p-xylene. Its crystal structure was determined at 140 K and has triclinic (P) symmetry. The compound presents a unique structural motif, including two units of the cyclic anhydride of boronoterephthalic acid, joined by a protonated, and thereby trivalent, oxonium center. Association in the crystal is realized by complementary hydrogen bonding of the carboxyl groups, as well as by coordination of the sodium cations to the oxygen centers on the five-membered rings.

Theoretical Investigation Of A Reported Antibiotic From The 'Miracle Tree' Moringa Oleifera, Michael Horwath, Vladimir Benin

Chemistry Faculty Publications

Moringa oleifera, sometimes called the “Miracle Tree,” has received international attention for its potential to improve health in impoverished tropical areas. In addition to high vitamin content in the leaves and pods, the tree contains compounds with antioxidant and antibacterial properties. This study focused on the theoretical investigation of the suggested structure of one antibacterial compound, “pterygospermin,” whose existence was proposed after some studies of the roots of M. oleifera. The structure of pterygospermin was first proposed by a research group working in the 1950s, but later studies have not found evidence of this compound and have instead …

Evaluation Of The Sensitivity Of Inventory And Monitoring National Parks To Nutrient Enrichment Effects From Atmospheric Nitrogen Deposition Northern Great Plains Network (Ngpn), T. J. Sullivan, T. C. Mcdonnell, G. T. Mcpherson, S. D. Mackey, D. Moore

United States National Park Service: Publications

Northern Great Plains Network (NGPN)

National maps of atmospheric N emissions and deposition are provided in Maps A and B as context for subsequent network data presentations. Map A shows county level emissions of total N for the year 2002. Map B shows total N deposition, again for the year 2002.

There are three parks in the Northern Great Plains Network that are larger than 100 square miles: Badlands (BADL), Missouri (MNRR), and Theodore Roosevelt (THRO). In addition, there are 10 other smaller parks.

Total annual N emissions, by county, are shown in Map C for lands in and surrounding …

Measuring Lengths And Areas With Adi. Student Guide, Morton Sternheim

STEM Digital

No abstract provided.

Measuring The Acceleration Of Falling Objects, John Pickle

STEM Digital

Earth's gravity pulls all objects toward its center, and near the Earth's surface. Objects in free fall accelerate at 9.8 m/s² vertically downward, provided air resistance is negligible. This value of acceleration is often referred to as "g". There are many ways to measure this rate of acceleration, and most require a timing device. Typically, stopwatches are the least expensive technology, so these are commonly available in high school science classrooms. With the recent addition of movie cameras on cell phones and digital cameras, another timing tool is available at moderate cost (free if the school policy …

Analyzing Digital Images (Adi) Resources, Rob Snyder

STEM Digital

Basic introduction to installing and using ADI

Water Treatment Experiments, David Reckhow

STEM Digital

•The water industry spends a lot of money and effort on removal of natural organic matter (NOM) from drinking waters •Problems with NOM (the more NOM the bigger problem) –NOM interferes with the ability of water treatment systems to remove substances that cause disease •Pathogenic organisms •Toxic chemicals –NOM reacts with chlorine‐based disinfectants forming carcinogenic organic byproducts

Experimental Design For Ozone Projects, Deborah Carlisle, Stephen Schneider

STEM Digital

No abstract provided.

Attenuation Of Acid Mine Drainage Enhanced By Organic Carbon And Limestone Addition: A Process Characterization, Anna M. Gillmor

Masters Theses 1911 - February 2014

Surface and groundwaters in contact with mining-exposed pyritic materials have the capacity to generate acid mine drainage (AMD), an acidic, sulfate-rich, metals-laden effluent. The Davis Mine located in northwestern Massachusetts offers a model site to study the processes of natural attenuation of acid mine drainage. These include physico-chemical processes such as dilution and sorption, geochemical processes such as aluminosilicate weathering and biological processes such as transformation and cycling of sulfate, iron and acidity by bacterial metabolism. A focus of recent research undertaken at the site has been characterizing the presence and activity of these bacteria with an aim to stimulate …

Climate Change: The Fork At The End Of Now, Micha Tomkiewicz

Publications and Research

There are many books on global warming written entirely from a layman's perspective, and there is a great deal of scientific literature on this subject. But few if any books attempt to bridge the science to those who lack a rigorous background in mathematics, physics and chemistry-but who may be working on careers in environmental science and policy. The new text is designed to introduce the field of global climate change from a scientific perspective-but written in a way that is accessible to students with some or little science background. It reviews the basic principles of climatic thermodynamics and atmospheric …

The Impact Of Driving Conditions On Phev Battery Performance, Nathan Christensen, John Patten, Steven Srivastava, Gary P. Nola

Green Manufacturing Research Journal

The battery performance of a modified Prius with a 5 kWh plug-in battery was documented for a year to determine the impact of environmental conditions and user attributes on vehicle performance. Both fuel economy and pure electrical efficiency were compared to ambient temperature. The fuel economy has a positive relationship with ambient temperature until approximately 70˚F where the efficiency begins to drop. Electrical performance has a positive linear relationship with ambient temperature. With the emergence of electric vehicles (EVs) and PHEVs from a variety of automotive manufacturers, information on EV and PHEV performance for consumers will become more important.

The Release Of Calcium In Bacillus Anthracis Pathogenicity, Natiera Magnuson, Manomita Patra, Maria Elena Reynaga, Ernesto Abel-Santos

McNair Poster Presentations

Bacillus anthracis spores form in response to starvation and can withstand extremes of heat, radiation, and chemical toxins, making B. anthracis spores ideal vehicles for infections.1 The resistance and dormancy of bacterial spores are dependent on a largely dehydrated core.2 The spore core is not only devoid of water, but contains between 0.8 to 1M calcium complexed with 2,6-pyridinedicarboxylic acid (dipicolinic acid, DPA). The DPA-calcium complex (CaDPA) helps protect DNA, RNA, and the metabolic enzymes needed for the establishment of a vegetative cell cytoplasm.3 An anthrax infection starts with the germination of B. anthracis spores in a macrophage.4 The germinated …

On-Road Measurments Of Transit Bus Emissions, Matt Breuer

Summer Research

Emissions were monitored from transit buses to determine the difference in emissions between engine technologies and model years. The Environmental Protection Agency’s newest emissions standards set into law in 2007 and 2010 limited the level of emissions transit buses and other heavy-duty vehicles are able to produce. For the most part, these standards have been regulated in lab. My research looked at the emissions from these buses on-road, under normal operating conditions. At the Federal Way Transit Center, four types of bus engines were analyzed: conventional diesel, diesel with catalytic emission control, compressed natural gas, and diesel-electric hybrid. A remote …

Fourier Transform Mass Spectrometry For The Molecular Level Characterization Of Natural Organic Matter: Instrument Capabilities, Applications, And Limitations, Rachel L. Sleighter, Patrick G. Hatcher, Goran Nikolić (Ed.)

Chemistry & Biochemistry Faculty Publications

No abstract provided.

A Practical Photoelectrochemical Cell Using Nonprecious Metal Electrodes, Patrick Enright, Tony Betts, John Cassidy

Articles

Abstract: Photoelectrochemical cells (PECs) can be used to harvest light from the oxidation of dissolved organic matter. Similar to fuel cells but requiring light to operate, PECs contain a light assisted electrode that oxidises electron rich materials (anode); these electrons then flow to a typically Pt cathode where O₂ is normally the electron acceptor. In this work a PEC cell containing inexpensive materials was shown to (a) mineralise typical organic compounds present in waste water and (b) produce electricity from their decomposition. The PEC cell consisted of a TiO₂ coated conducting ink anode exposed to a light source, …

Fossil And Contemporary Aerosol Particulate Organic Carbon In The Eastern United States: Implications For Deposition And Inputs To Watersheds, Andrew S. Wozniak, James E. Bauer, Rebecca M. Dickhut

Chemistry & Biochemistry Faculty Publications

Atmospheric particulate matter samples were collected from mid-Atlantic and northeastern U. S. (Virginia and New York, respectively) sites to assess the fossil versus contemporary sources contributing to aerosol organic carbon (OC) and the implications for its deposition to watersheds. Mean particulate matter total OC (TOC) deposition rates (wet + dry deposition) were calculated to be 1.6 and 2.4 mg C m^-2 d^-1 for the Virginia and New York sites, respectively. Wet deposition of particulate TOC was determined to be the dominant depositional mode, accounting for >65% (Virginia) and >80% (New York) of total aerosol TOC deposition. Isotopic mass …

Urban Environmental Pollution 2010: Trace Metal Dispersion In Soil From Auto-Mechanic Village To Urban Residential Areas In Owerri, Nigeria, Michael A. Nwachukwu, Huan Feng, Jude Alinnor

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

Due to poor waste management in mechanic villages (MVs), average metal concentration (mgkg-1) is Pb 1162±572; Mn 864±531; Cu 385±202; Fe 49259±4770; Cd 20±13; Zn 824±190; and Ni 40±35, causing ecological and public health risks in parts of Nigeria. Average metal dispersion (mgkg-1/m) from MVs to residential areas was estimated at 9.2 for Pb; 6.7 for Mn; 6.1 for Zn; 1.5 for Cu; 197 for Fe; 0.3 for Ni; and 0.04 for Cd. This represents a mobility order of Fe>Pb>Mn>Zn>Cu>Ni>Cd, and a pollution order of Pb>Ni>Mn>Zn>Fe>Cu>Cd. MV advantages …

Variations In Concentrations And Compositions Of Polycyclic Aromatic Hydrocarbons (Pahs) In Coals Related To The Coal Rank And Origin, Susanne Laumann, Vesna Micic Batka, Michael A. Kruge, Christine Achten, Reinhard Sachsenhofer, Jan Schwarzbauer, Thilo Hofmann

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

The release of unburnt coal particles and associated polycyclic aromatic hydrocarbons (PAHs) may cause adverse impacts on the environment. This study assessed variations in the concentration and composition of PAHs in a set of fifty coal samples from eleven coal basins worldwide. The maximum PAH concentrations at high volatile bituminous rank were recorded in samples from a single basin. Considering the entire sample, the highest PAH concentrations were in fact found outside of this rank range, suggesting that the maceral composition and thus the coal's origin also influenced PAH concentrations. The examination of the PAH compositions revealed that alkylated 2-3 …