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Walter B. Wilson, Lane C. Sander, M. J. Lopez de Alda, Milton Lee, Stephen A. Wise
Retention indices for 79 alkyl-substituted polycyclic aromatic sulfur heterocycles (PASHs) were determined by using reversed-phase liquid chromatography (LC) on a monomeric and polymeric octadecylsilane (C18) stationary phase. Molecular shape parameters
Walter B. Wilson, Lane C. Sander, M. J. Lopez de Alda, Milton Lee, Stephen A. Wise
Retention indices for 70 polycyclic aromatic sulfur heterocycles (PASHs) were determined using reversed-phase liquid chromatography (LC) on a monomeric and a polymeric C18 stationary phase. Molecular shape parameters [length, breadth, thickness (T), and
Yin Yang, Aaron A. Urbas, Andres Gonzalez-Bonet, Richard J. Sheridan, Jonathan E. Seppala, Kathryn L. Beers, Jirun Sun
A system containing well-defined functional material, a clinically practical procedure to make the material in situ, and proper analytical tools for chemical structure and kinetic studies is appealing, but currently unavailable. Herein, we introduce an all
Psychrometric properties of humid air are widely used in the analysis and modeling of thermal systems. In this work we present a method for obtaining these properties from the multi-fluid mixture formulation forming the so-called GERG mixture model. This
Filtration is the physical separation of a component or components (which may be solid, liquid, gel, etc.) from a matrix stream (which is usually a fluid), without causing any other changes such as chemical reactions. In the laboratory, filtration is most
Christopher Reddy, Stephen Wise, Lane C. Sander, Jacolin Murray
Following an open meeting entitled, "Hydrocarbon Chemistry QA/QC," at the 2014 Gulf of Mexico Oil Spill and Ecosystem Science Conference in Mobile, Alabama, the Gulf of Mexico Research Initiative (GoMRI) initiated the Hydrocarbon Intercalibration
The design of better heterogeneous catalysts for applications such as fuel cells and electrolyzers requires a mechanistic understanding of electrocatalytic reactions and the dependence of their activity on operating conditions such as pH. A satisfactory
We describe an approach for creating a cost-effective, field deployable dynamic pressure standard based on measurement of fundamental quantum properties of molecular systems. From the linewidth and intensities of ro-vibrational transitions we plan on
Derivatives requiring either anhydrous or aqueous reaction conditions were prepared for robust and reliable gas chromatography mass spectrometry (GC-MS) characterization of hydroxyl, mercapto, and amino benzoic acids. Methylation and trialkylsilylation
Mark O. McLinden, Richard A. Perkins, Robin Wegge, Markus Richter, Roland Span
The speed of sound of two (argon + carbon dioxide) mixtures was measured over the temperature range from (275 to 500) K with pressures up to 8 MPa utilizing a spherical acoustic resonator. The compositions of the gravimetrically prepared mixtures were (0
Dye-sensitized solar cells (DSCs) represent a viable means for harvesting solar energy to produce electrical power. Though a number of light harvesting dyes are in use, the search continues for more efficient and effective compounds to make commercially
Kelly H. Telu, Xinjian Yan, William E. Wallace, Stephen Stein, Yamil Simon
The development of increasingly sensitive analytical techniques has renewed interest in global metabolite profiling, i.e., the semi-quantitative monitoring of all the chemical constituents of biological fluids. In this work, global metabolite profiles of
Jeffrey W. Hudgens, Richard Y. Huang, Emma D'Ambro
The chapter examines method validation and measurement standards for measuring protein dynamics by hydrogen/deuterium exchange mass spectrometry. Topics examined include the rationale for a reference measurement system for HDX-MS, attaining high accuracy
Megan Harries, Santiago Bukovsky-Reyes, Thomas J. Bruno
This paper details the sampling methods used with the field portable PLOT-cryoadsorption (PLOT-cryo) approach, described in Part I of this two-part series, applied to several analytes of interest. We conducted tests with coumarin and 2,4,6-trinitrotoluene
Polycyclic aromatic hydrocarbons (PAHs) are molecules that exist on earth due to natural and man-made causes. They are a significant health concern as many PAH compounds are known to be carcinogenic. PAHs are generally thermodynamically stable and
John G. Gillen, Marcela N. Najarro, Matthew E. Staymates, Scott A. Wight, Marlon L. Walker, Jennifer R. Verkouteren, Eric S. Windsor, Aaron A. Urbas
A method has been developed to fabricate patterned arrays of micrometer-sized monodisperse solid particles of ammonium nitrate on hydrophobic silicon surfaces using inkjet printing. The method relies on dispensing one or more microdrops (typically 50 pL
A Fourier transform spectrum of phosgene (Cl2CO) has been recorded in the 22.5 μm spectral region at a resolution of 0.00102 cm-1 using a Bruker IFS125HR spectrometer coupled with synchrotron radiation leading to the observation of the ν6 vibrational bands
Measurements were carried out to obtain thermal signatures of several ammonium nitrate/fuel (ANF) mixtures, using a laser-heating technique referred to as the laser-driven thermal reactor (LDTR). The mixtures were ammonium nitrate (AN)/kerosene, AN
One material attribute for nuclear forensics is material age. 241Pu is almost always present in uranium- and plutonium-based nuclear weapons, which pose the greatest threat to our security. The in-growth of 241Am due to the decay of 241Pu provides an
Timothy M. Brewer, Robert A. Fletcher, Matthew E. Staymates
Well characterized test materials are essential for validating the performance of current trace explosive detection systems. Explosive encapsulated microspheres have proven to be a valuable test material for trace explosive detection because their precise
David S. Simons, Christopher W. Szakal, William A. Osborn, Kyung Joong Kim
A pilot study for the quantitative surface analysis of multi-element alloy films has been performed by the Surface Analysis Working Group (SAWG) of the Consultative Committee for Amount of Substance (CCQM). The aim of this pilot study is to ensure the
Kurtis Sarafin, Ramon Durazo-Arvizu, Lu Tian, Karen W. Phinney, Susan Tai, Johanna Camara, Hubert W. Vesper, Joyce M. Merkel, Evan Green, Christopher T. Sempos, Stephen P. Brooks
Background: The Canadian Health Measures survey (CHMS) is an ongoing cross sectional national survey that includes a measure of 25-hydroxyvitamin D (25(OH)D) by Diasorin LIAISON immunoassay. The survey repeats approximately every two years with a new
Yauheni Paulechka, Vladimir Diky, Andrei F. Kazakov, Kenneth G. Kroenlein, Michael D. Frenkel
COSMO-SAC model was re-parameterized using the critically evaluated data generated by the NIST ThermoData Engine for vapor-liquid equilibria, excess enthalpies for binary mixtures, and activity coefficients of components of binary mixtures. The calculated
Metal-Organic Frameworks (MOFs) are three-dimensional coordination polymers that are well known for large pore surface area and their ability to adsorb molecules from both the gaseous and solution phases. In general, MOFs are electrically insulating, but
Yamil Simon, Daniel Abate-Pella, Dana M. Freund, Yan Ma, Adrian Hegeman, Yan Ma, Tobias Kind, O Fiehn, Birgit Beck, Emma L. Schymanski, Corey D. Broeckling, David V. Huhman, Lloyd W. Summer, Oleg V. Krokhin, Dwight R. Stoll
Identification of small molecules by liquid chromatography-mass spectrometry (LC-MS) could be greatly improved if the chromatographic retention information could be used along with mass spectral information to narrow down the lists of potential identities