40 CFR Appendix Vi to Part 265 - Compounds With Henry's Law Constant Less Than 0.1 Y/X

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 26 2011-07-01 2011-07-01 false Compounds With Henry's Law Constant Less Than 0.1 Y/X VI Appendix VI to Part 265 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Law Constant Less Than 0.1 Y/X Compound name CAS No. Acetaldol 107-89-1 Acetamide 60-35-5 2...

Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.

PubMed

Moreno, Andrew; Froehlig, John R; Bachas, Sharrol; Gunio, Drew; Alexander, Teressa; Vanya, Aaron; Wade, Herschel

2016-08-30

Multidrug resistance (MDR) refers to the acquired ability of cells to tolerate a broad range of toxic compounds. One mechanism cells employ is to increase the level of expression of efflux pumps for the expulsion of xenobiotics. A key feature uniting efflux-related mechanisms is multidrug (MD) recognition, either by efflux pumps themselves or by their transcriptional regulators. However, models describing MD binding by MDR effectors are incomplete, underscoring the importance of studies focused on the recognition elements and key motifs that dictate polyspecific binding. One such motif is the GyrI-like domain, which is found in several MDR proteins and is postulated to have been adapted for small-molecule binding and signaling. Here we report the solution binding properties and crystal structures of two proteins containing GyrI-like domains, SAV2435 and CTR107, bound to various ligands. Furthermore, we provide a comparison with deposited crystal structures of GyrI-like proteins, revealing key features of GyrI-like domains that not only support polyspecific binding but also are conserved among GyrI-like domains. Together, our studies suggest that GyrI-like domains perform evolutionarily conserved functions connected to multidrug binding and highlight the utility of these types of studies for elucidating mechanisms of MDR.

Effect of isothermal dilution on emission factors of organic carbon and n-alkanes in the particle and gas phases of diesel exhaust

NASA Astrophysics Data System (ADS)

Fujitani, Yuji; Saitoh, Katsumi; Fushimi, Akihiro; Takahashi, Katsuyuki; Hasegawa, Shuich; Tanabe, Kiyoshi; Kobayashi, Shinji; Furuyama, Akiko; Hirano, Seishiro; Takami, Akinori

2012-11-01

To investigate the effect of isothermal dilution (30 °C) on emission factors (EFs) of semivolatile and nonvolatile compounds of heavy-duty diesel exhaust, we measured EFs for particulate matter (PM), organic carbon (OC), and elemental carbon (EC) in the particle phase, and EFs for n-alkanes in both the particle phase and the gas phase of exhaust produced under high-idle engine operating conditions at dilution ratios (DRs) ranging from 8 to 1027. The EC EFs did not vary with DR, whereas the OC EFs in the particle phase determined at DR = 1027 were 13% of the EFs determined at DR = 8, owing to evaporation of organic compounds. Using partitioning theory and n-alkane EFs measured at DR = 14 and 238, we calculated the distributions of compounds between the particle and gas phases at DR = 1760, which corresponds to the DR for tailpipe emissions as they move from the tailpipe to the roadside atmosphere. The gas-phase EF of a compound with a vapor pressure of 10-7 Pa was 0.01 μg kg-1-fuel at DR = 14, and this value is 1/330 the value derived at DR = 1760. Our results suggest that the EFs of high-volatility compounds in the particle phase will be overestimated and that the EFs of low-volatility compounds in the gas phase will be underestimated if the estimates are derived from data obtained at the low DRs and they are applied to the real world. Therefore, extrapolation from EFs derived at low DR values to EFs at atmospherically relevant DRs will be a source of error in predictions of the concentrations of particulate matter and gas-phase precursors to secondary organic aerosols in air quality models.

N%-Superconvergence of Finite Element Approximations in the Interior of General Meshes of Triangles

DTIC Science & Technology

1993-12-01

RODiGuEz, On the asymptotic exactness of error estimators for linear triangular finite elements, Numer. Math., 59 (1991), pp. 107-127. 27. R. DURAN ...WAHLDIN, Interior maxmum norma estimates for finite element methods, Part H, unpublished manuscript. 38. I. BABUfKA, T. STROUBOULIS, A. MATHU. AND C.S

A convenient method for the quantitative determination of elemental sulfur in coal by HPLC analysis of perchloroethylene extracts

USGS Publications Warehouse

Buchanan, D.H.; Coombs, K.J.; Murphy, P.M.; Chaven, C.

1993-01-01

A convenient method for the quantitative determination of elemental sulfur in coal is described. Elemental sulfur is extracted from the coal with hot perchloroethylene (PCE) (tetrachloroethene, C2Cl4) and quantitatively determined by HPLC analysis on a C18 reverse-phase column using UV detection. Calibration solutions were prepared from sublimed sulfur. Results of quantitative HPLC analyses agreed with those of a chemical/spectroscopic analysis. The HPLC method was found to be linear over the concentration range of 6 ?? 10-4 to 2 ?? 10-2 g/L. The lower detection limit was 4 ?? 10-4 g/L, which for a coal sample of 20 g is equivalent to 0.0006% by weight of coal. Since elemental sulfur is known to react slowly with hydrocarbons at the temperature of boiling PCE, standard solutions of sulfur in PCE were heated with coals from the Argonne Premium Coal Sample program. Pseudo-first-order uptake of sulfur by the coals was observed over several weeks of heating. For the Illinois No. 6 premium coal, the rate constant for sulfur uptake was 9.7 ?? 10-7 s-1, too small for retrograde reactions between solubilized sulfur and coal to cause a significant loss in elemental sulfur isolated during the analytical extraction. No elemental sulfur was produced when the following pure compounds were heated to reflux in PCE for up to 1 week: benzyl sulfide, octyl sulfide, thiane, thiophene, benzothiophene, dibenzothiophene, sulfuric acid, or ferrous sulfate. A sluury of mineral pyrite in PCE contained elemental sulfur which increased in concentration with heating time. ?? 1993 American Chemical Society.

Analysis of Orbital Elements and Atmospheric Activity to Ascertain Possible Presence of an Ion Propulsion Capability Aboard Salyut 7/Cosmos 1686

DTIC Science & Technology

1991-12-01

7, Cosmos 1686, and LDEF), although two of them (Salyut 7 and Cosmos 1686) were assumed to act as one as far as orbital behavior . The study covered...solar and geomagnetic activity were chosen to represent overall behavior . These included sunspot number, R, 10.7-cm solar radio flux, F10.7, and the...wide spectrum of wavelengths and behavior at different wavelengths varies greatly. As an example, F10.7 does not necessarily depict activity in the

Sulfur in vacuum - Sublimation effects on frozen melts, and applications to Io's surface and torus

NASA Astrophysics Data System (ADS)

Nash, D. B.

1987-10-01

The author has found from laboratory experiments that vacuum sublimation has a profound effect on the molecular composition, microtexture, bulk density (porosity), and the UV/visible spectral reflectance of the surface of solid sulfur samples, both when the sulfur is in the form of frozen or quenched melts and as laboratory-grade sulfur powder. These sublimation effects produce a unique surface material, the understanding of which may have important implications for deciphering the many enigmatic optical and textural properties of the surface of Jupiter's satellite Io. This planetary body is thought to have a surface greatly enriched in volcanically produced elemental sulfur and sulfur compounds and to have a surface atmospheric pressure with an upper limit of ≡10-7atm, comparable to a good laboratory vacuum, and surface hotspots at temperatures of about 300K covering about 0.3% of its global surface.

40 CFR 419.36 - Standards of performance for new sources (NSPS).

Code of Federal Regulations, 2010 CFR

2010-07-01

... grease 6.6 3.5 Phenolic compounds 0.158 .077 Ammonia as N 23.4 10.7 Sulfide 0.140 0.063 Total chromium 0...) BOD5 7.7 4.1 TSS 5.2 3.3 COD 1 47.0 24.0 Oil and grease 2.4 1.3 Phenolic compounds 0.056 0.027 Ammonia...

40 CFR 419.46 - Standards of performance for new sources (NSPS).

Code of Federal Regulations, 2010 CFR

2010-07-01

... Phenolic compounds 0.25 0.12 Ammonia as N 23.4 10.7 Sulfide 0.220 0.10 Total chromium 0.52 0.31 Hexavalent....3 COD 1 87.0 45.0 Oil and grease 3.8 2.0 Phenolic compounds 0.088 0.043 Ammonia as N 8.3 3.8 Sulfide...

40 CFR 419.56 - Standards of performance for new sources (NSPS).

Code of Federal Regulations, 2010 CFR

2010-07-01

... Phenolic compounds 0.30 0.14 Ammonia as N 23.4 10.7 Sulfide 0.26 0.12 Total chromium 0.64 0.37 Hexavalent... COD 1 104.0 54.0 Oil and grease 4.5 2.4 Phenolic compounds 0.105 0.051 Ammonia as N 8.3 3.8 Sulfide 0...

Atom-type-based AI topological descriptors: application in structure-boiling point correlations of oxo organic compounds.

PubMed

Ren, Biye

2003-01-01

Structure-boiling point relationships are studied for a series of oxo organic compounds by means of multiple linear regression (MLR) analysis. Excellent MLR models based on the recently introduced Xu index and the atom-type-based AI indices are obtained for the two subsets containing respectively 77 ethers and 107 carbonyl compounds and a combined set of 184 oxo compounds. The best models are tested using the leave-one-out cross-validation and an external test set, respectively. The MLR model produces a correlation coefficient of r = 0.9977 and a standard error of s = 3.99 degrees C for the training set of 184 compounds, and r(cv) = 0.9974 and s(cv) = 4.16 degrees C for the cross-validation set, and r(pred) = 0.9949 and s(pred) = 4.38 degrees C for the prediction set of 21 compounds. For the two subsets containing respectively 77 ethers and 107 carbonyl compounds, the quality of the models is further improved. The standard errors are reduced to 3.30 and 3.02 degrees C, respectively. Furthermore, the results obtained from this study indicate that the boiling points of the studied oxo compound dominantly depend on molecular size and also depend on individual atom types, especially oxygen heteroatoms in molecules due to strong polar interactions between molecules. These excellent structure-boiling point models not only provide profound insights into the role of structural features in a molecule but also illustrate the usefulness of these indices in QSPR/QSAR modeling of complex compounds.

PINS chemical identification software

DOEpatents

Caffrey, Augustine J.; Krebs, Kennth M.

2004-09-14

An apparatus and method for identifying a chemical compound. A neutron source delivers neutrons into the chemical compound. The nuclei of chemical elements constituting the chemical compound emit gamma rays upon interaction with the neutrons. The gamma rays are characteristic of the chemical elements constituting the chemical compound. A spectrum of the gamma rays is generated having a detection count and an energy scale. The energy scale is calibrated by comparing peaks in the spectrum to energies of pre-selected chemical elements in the spectrum. A least-squares fit completes the calibration. The chemical elements constituting the chemical compound can be readily determined, which then allows for identification of the chemical compound.

Process for synthesizing compounds from elemental powders and product

DOEpatents

Rabin, B.H.; Wright, R.N.

1993-12-14

A process for synthesizing intermetallic compounds from elemental powders is described. The elemental powders are initially combined in a ratio which approximates the stoichiometric composition of the intermetallic compound. The mixed powders are then formed into a compact which is heat treated at a controlled rate of heating such that an exothermic reaction between the elements is initiated. The heat treatment may be performed under controlled conditions ranging from a vacuum (pressureless sintering) to compression (hot pressing) to produce a desired densification of the intermetallic compound. In a preferred form of the invention, elemental powders of Fe and Al are combined to form aluminide compounds of Fe[sub 3] Al and FeAl. 25 figures.

Process for synthesizing compounds from elemental powders and product

DOEpatents

Rabin, Barry H.; Wright, Richard N.

1993-01-01

A process for synthesizing intermetallic compounds from elemental powders. The elemental powders are initially combined in a ratio which approximates the stoichiometric composition of the intermetallic compound. The mixed powders are then formed into a compact which is heat treated at a controlled rate of heating such that an exothermic reaction between the elements is initiated. The heat treatment may be performed under controlled conditions ranging from a vacuum (pressureless sintering) to compression (hot pressing) to produce a desired densification of the intermetallic compound. In a preferred form of the invention, elemental powders of Fe and Al are combined to form aluminide compounds of Fe.sub.3 Al and FeAl.

Methods for synthesizing semiconductor quality chalcopyrite crystals for nonlinear optical and radiation detection applications and the like

DOEpatents

Stowe, Ashley; Burger, Arnold

2016-05-10

A method for synthesizing I-III-VI.sub.2 compounds, including: melting a Group III element; adding a Group I element to the melted Group III element at a rate that allows the Group I and Group III elements to react thereby providing a single phase I-III compound; and adding a Group VI element to the single phase I-III compound under heat, with mixing, and/or via vapor transport. The Group III element is melted at a temperature of between about 200 degrees C. and about 700 degrees C. Preferably, the Group I element consists of a neutron absorber and the group III element consists of In or Ga. The Group VI element and the single phase I-III compound are heated to a temperature of between about 700 degrees C. and about 1000 degrees C. Preferably, the Group VI element consists of S, Se, or Te. Optionally, the method also includes doping with a Group IV element activator.

Electrochemical detection of phenolic estrogenic compounds at clay modified carbon paste electrode

NASA Astrophysics Data System (ADS)

Belkamssa, N.; Ouattara, L.; Kawachi, A.; Tsujimura, M.; Isoda, H.; Chtaini, A.; Ksibi, M.

2015-04-01

A simple and sensitive electroanalytical method was developed to determine the Endocrine Disrupting chemical 4-tert-octylphenol on clay modified carbon paste electrode (Clay/CPE). The electrochemical response of the proposed electrode was studied by means of cyclic and square wave voltammetry. It has found that the oxidation of 4-tert-octylphenol on the clay/CPE displayed a well-defined oxidation peak. Under these optimal conditions, a linear relation between concentrations of 4-tert-octylphenol current response was obtained over range of 7.26×10-6 to 3.87×10-7 with a detection and quantification limit of 9.2×10-7 M and 3.06×10-6 M, respectively. The correlation coefficient is 0.9963. The modified electrode showed suitable sensitivity, high stability and an accurate detection of 4-tert-octylphenol. The modified electrode also relevant suitable selectivity for various phenolic estrogenic compounds.

Impact of the new nuclear decay data of ICRP publication 107 on inhalation dose coefficients for workers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manabe, K.; Endo, Akira; Eckerman, Keith F

2010-03-01

The impact a revision of nuclear decay data had on dose coefficients was studied using data newly published in ICRP Publication 107 (ICRP 107) and existing data from ICRP Publication 38 (ICRP 38). Committed effective dose coefficients for occupational inhalation of radionuclides were calculated using two sets of decay data with the dose and risk calculation software DCAL for 90 elements, 774 nuclides and 1572 cases. The dose coefficients based on ICRP 107 increased by over 10 % compared with those based on ICRP 38 in 98 cases, and decreased by over 10 % in 54 cases. It was foundmore » that the differences in dose coefficients mainly originated from changes in the radiation energy emitted per nuclear transformation. In addition, revisions of the half-lives, radiation types and decay modes also resulted in changes in the dose coefficients.« less

The α7 nicotinic receptor dual allosteric agonist and positive allosteric modulator GAT107 reverses nociception in mouse models of inflammatory and neuropathic pain

PubMed Central

Wilkerson, Jenny L; Kulkarni, Abhijit; Toma, Wisam; AlSharari, Shakir; Gul, Zulfiye; Lichtman, Aron H; Papke, Roger L; Damaj, M Imad

2016-01-01

Background and Purpose Orthosteric agonists and positive allosteric modulators (PAMs) of the α7 nicotinic ACh receptor (nAChR) represent novel therapeutic approaches for pain modulation. Moreover, compounds with dual function as allosteric agonists and PAMs, known as ago‐PAMs, add further regulation of receptor function. Experimental Approach Initial studies examined the α7 ago‐PAM, GAT107, in the formalin, complete Freund's adjuvant (CFA), LPS inflammatory pain models, the chronic constriction injury neuropathic pain model and the tail flick and hot plate acute thermal nociceptive assays. Additional studies examined the locus of action of GAT107 and immunohistochemical markers in the dorsal horn of the spinal cord in the CFA model. Key Results Complementary pharmacological and genetic approaches confirmed that the dose‐dependent antinociceptive effects of GAT107 were mediated through α7 nAChR. However, GAT107 was inactive in the tail flick and hot plate assays. In addition, GAT107 blocked conditioned place aversion elicited by acetic acid injection. Furthermore, intrathecal, but not intraplantar, injections of GAT107 reversed nociception in the CFA model, suggesting a spinal component of action. Immunohistochemical evaluation revealed an increase in the expression of astrocyte‐specific glial fibrillary acidic protein and phosphorylated p38MAPK within the spinal cords of mice treated with CFA, which was attenuated by intrathecal GAT107 treatment. Importantly, GAT107 did not elicit motor impairment and continued to produce antinociceptive effects after subchronic administration in both phases of the formalin test. Conclusions and Implications Collectively, these results provide the first proof of principle that α7 ago‐PAMs represent an effective pharmacological strategy for treating inflammatory and neuropathic pain. PMID:27243753

KSC00pp1841

NASA Image and Video Library

2000-12-05

KENNEDY SPACE CENTER, Fla. -- Members of the STS-107 crew take part in In-Flight Maintenance training for their mission. One of the payload elements on the mission is the SPACEHAB Double Module in its first research flight into space. Working with equipment inside the SPACEHAB Double Module are (left to right) Commander Rick D. Husband, Payload Specialist Ilan Ramon of Israel and Pilot William C. "Willie" McCool , while SPACEHAB trainer David Butler (standing) looks on. Research mission STS-107 is scheduled to launch July 19, 2001

KSC-00pp1834

NASA Image and Video Library

2000-12-06

KENNEDY SPACE CENTER, Fla. -- Members of the STS-107 crew take part in In-Flight Maintenance training for their mission. One of the payload elements on the mission is the SPACEHAB Double Module in its first research flight into space. Working with equipment inside the SPACEHAB Double Module are (left to right) SPACEHAB trainer David Butler, Pilot William C. “Willie” McCool, Commander Rick D. Husband, and Payload Specialist Ilan Ramon, from Israel. Research mission STS-107 is scheduled to launch July 19, 2001

KSC-00pp1835

NASA Image and Video Library

2000-12-06

KENNEDY SPACE CENTER, Fla. -- Members of the STS-107 crew take part in In-Flight Maintenance training for their mission. One of the payload elements on the mission is the SPACEHAB Double Module in its first research flight into space. Working with equipment inside the SPACEHAB Double Module are (front) Payload Specialist Ilan Ramon (left), astronaut from Israel, and Commander Rick D. Husband; (back) Mission Specialist David Brown, SPACEHAB trainer David Butler, and Pilot William C. “Willie” McCool. Research mission STS-107 is scheduled to launch July 19, 2001

KSC00pp1835

NASA Image and Video Library

2000-12-06

KENNEDY SPACE CENTER, Fla. -- Members of the STS-107 crew take part in In-Flight Maintenance training for their mission. One of the payload elements on the mission is the SPACEHAB Double Module in its first research flight into space. Working with equipment inside the SPACEHAB Double Module are (front) Payload Specialist Ilan Ramon (left), astronaut from Israel, and Commander Rick D. Husband; (back) Mission Specialist David Brown, SPACEHAB trainer David Butler, and Pilot William C. “Willie” McCool. Research mission STS-107 is scheduled to launch July 19, 2001

KSC-00pp1841

NASA Image and Video Library

2000-12-05

KENNEDY SPACE CENTER, Fla. -- Members of the STS-107 crew take part in In-Flight Maintenance training for their mission. One of the payload elements on the mission is the SPACEHAB Double Module in its first research flight into space. Working with equipment inside the SPACEHAB Double Module are (left to right) Commander Rick D. Husband, Payload Specialist Ilan Ramon of Israel and Pilot William C. "Willie" McCool , while SPACEHAB trainer David Butler (standing) looks on. Research mission STS-107 is scheduled to launch July 19, 2001

KSC00pp1834

NASA Image and Video Library

2000-12-06

KENNEDY SPACE CENTER, Fla. -- Members of the STS-107 crew take part in In-Flight Maintenance training for their mission. One of the payload elements on the mission is the SPACEHAB Double Module in its first research flight into space. Working with equipment inside the SPACEHAB Double Module are (left to right) SPACEHAB trainer David Butler, Pilot William C. “Willie” McCool, Commander Rick D. Husband, and Payload Specialist Ilan Ramon, from Israel. Research mission STS-107 is scheduled to launch July 19, 2001

Nucleoporins as components of the nuclear pore complex core structure and Tpr as the architectural element of the nuclear basket.

PubMed

Krull, Sandra; Thyberg, Johan; Björkroth, Birgitta; Rackwitz, Hans-Richard; Cordes, Volker C

2004-09-01

The vertebrate nuclear pore complex (NPC) is a macromolecular assembly of protein subcomplexes forming a structure of eightfold radial symmetry. The NPC core consists of globular subunits sandwiched between two coaxial ring-like structures of which the ring facing the nuclear interior is capped by a fibrous structure called the nuclear basket. By postembedding immunoelectron microscopy, we have mapped the positions of several human NPC proteins relative to the NPC core and its associated basket, including Nup93, Nup96, Nup98, Nup107, Nup153, Nup205, and the coiled coil-dominated 267-kDa protein Tpr. To further assess their contributions to NPC and basket architecture, the genes encoding Nup93, Nup96, Nup107, and Nup205 were posttranscriptionally silenced by RNA interference (RNAi) in HeLa cells, complementing recent RNAi experiments on Nup153 and Tpr. We show that Nup96 and Nup107 are core elements of the NPC proper that are essential for NPC assembly and docking of Nup153 and Tpr to the NPC. Nup93 and Nup205 are other NPC core elements that are important for long-term maintenance of NPCs but initially dispensable for the anchoring of Nup153 and Tpr. Immunogold-labeling for Nup98 also results in preferential labeling of NPC core regions, whereas Nup153 is shown to bind via its amino-terminal domain to the nuclear coaxial ring linking the NPC core structures and Tpr. The position of Tpr in turn is shown to coincide with that of the nuclear basket, with different Tpr protein domains corresponding to distinct basket segments. We propose a model in which Tpr constitutes the central architectural element that forms the scaffold of the nuclear basket.

Oxide-based method of making compound semiconductor films and making related electronic devices

DOEpatents

Kapur, Vijay K.; Basol, Bulent M.; Leidholm, Craig R.; Roe, Robert A.

2000-01-01

A method for forming a compound film includes the steps of preparing a source material, depositing the source material on a base and forming a preparatory film from the source material, heating the preparatory film in a suitable atmosphere to form a precursor film, and providing suitable material to said precursor film to form the compound film. The source material includes oxide-containing particles including Group IB and IIIA elements. The precursor film includes non-oxide Group IB and IIIA elements. The compound film includes a Group IB-IIIA-VIA compound. The oxides may constitute greater than about 95 molar percent of the Group IB elements and greater than about 95 molar percent of the Group IIIA elements in the source material. Similarly, non-oxides may constitute greater than about 95 molar percent of the Group IB elements and greater than about 95 molar percent of the Group IIIA elements in the precursor film. The molar ratio of Group IB to Group IIIA elements in the source material may be greater than about 0.6 and less than about 1.0, or substantially greater that 1.0, in which case this ratio in the compound film may be reduced to greater than about 0.6 and less than about 1.0. The source material may be prepared as an ink from particles in powder form. The oxide-containing particles may include a dopant, as may the compound film. Compound films including a Group IIB-IVA-VA compound may be substituted using appropriate substitutions in the method. The method, also, is applicable to fabrication of solar cells and other electronic devices.

Moving beyond the van Krevelen Diagram: A New Stoichiometric Approach for Compound Classification in Organisms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rivas-Ubach, Albert; Liu, Yina; Bianchi, Thomas S.

van Krevelen diagrams (O:C vs H:C ratios of elemental formulas) have been widely used in studies to obtain an estimation of the main compound categories present in environmental samples. However, the limits defining a specific compound category based solely on O:C and H:C ratios of elemental formulas have never been accurately listed or proposed to classify metabolites in biological samples. Furthermore, while O:C vs. H:C ratios of elemental formulas can provide an overview of the compound categories, such classification is inefficient because of the large overlap among different compound categories along both axes. We propose a more accurate compound classificationmore » for biological samples analyzed by high-resolution mass spectrometry-based on an assessment of the C:H:O:N:P stoichiometric ratios of over 130,000 elemental formulas of compounds classified in 6 main categories: lipids, peptides, amino-sugars, carbohydrates, nucleotides and phytochemical compounds (oxy-aromatic compounds). Our multidimensional stoichiometric compound classification (MSCC) constraints showed a highly accurate categorization of elemental formulas to the main compound categories in biological samples with over 98% of accuracy representing a substantial improvement over any classification based on the classic van Krevelen diagram. This method represents a significant step forward in environmental research, especially ecological stoichiometry and eco-metabolomics studies, by providing a novel and robust tool to further our understanding the ecosystem structure and function through the chemical characterization of different biological samples.« less

Odd-Z Transactinide Compound Nucleus Reactions Including the Discovery of 260Bh

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Sarah L.

Several reactions producing odd-Z transactinide compound nuclei were studiedwith the 88-Inch Cyclotron and the Berkeley Gas-Filled Separator at the Lawrence Berkeley National Laboratory. The goal was to produce the same compound nucleus ator near the same excitation energy with similar values of angular momentum via differentnuclear reactions. In doing so, it can be determined if there is a preference in entrancechannel, because under these experimental conditions the survival portion of Swiatecki, Siwek-Wilcznska, and Wilczynski's"Fusion By Diffusion" model is nearly identical forthe two reactions. Additionally, because the same compound nucleus is produced, theexit channel is the same. Four compound nuclei were examined in this study: 258Db, 262Bh, 266Mt, and 272Rg. These nuclei were produced by using very similar heavy-ion induced-fusion reactions which differ only by one proton in the projectile or target nucleus (e.g.: 50Ti + 209Bi vs. 51V + 208Pb). Peak 1n exit channel cross sections were determined for each reaction in each pair, and three of the four pairs' cross sections were identical within statistical uncertainties. This indicates there is not an obvious preference of entrancechannel in these paired reactions. Charge equilibration immediately prior to fusionleading to a decreased fusion barrier is the likely cause of this phenomenon. In addition to this systematic study, the lightest isotope of element 107, bohrium, was discovered in the 209Bi( 52Cr,n) reaction. 260Bh was found to decay by emission of a 10.16 MeV alpha particle with a half-life of 35more » $$+19\\atop{-9}$$ ms. The cross section is 59 pb at an excitation energy of 15.0 MeV. The effect of the N = 152 shell is also seen in this isotope's alpha particle energy, the first evidence of such an effect in Bh. All reactions studied are also compared to model predictions by Swiatecki, Siwek-Wilcznska, and Wilczynski 's" Fusion By Diffusion " theory.« less

The Reactivity of Transition Metal-Silicon Compounds

DTIC Science & Technology

1988-08-08

light, and appear to follow both thermal and photochemical pathways. Compounds 9 and 10 are efficient acetylene polymerization catalysts . The scandium...containing both silicon and an early-transition- metal, Previously this field was quite undeveloped, therefore we surveyed a number ( approaches to...15- C5Me5)Ta(SiMe 3)C13 ," J Arnold and T D Tilley, J Am Chem Soc, 107, 6409 (1985) "Tetrahedral Lewis Base Adducts of an Acyl. Preparation and X-ray

9 CFR 130.17 - User fees for other veterinary diagnostic laboratory tests performed at NVSL (excluding FADDL) or...

Code of Federal Regulations, 2013 CFR

2013-01-01

... Nitrate/nitrite Test 66.00 67.00 68.00 70.00 72.00 Organic compound confirmation Test 88.00 90.00 92.00 94.00 96.00 Organic compound screen Test 151.00 155.00 158.00 161.00 165.00 Parasitology Test 29.00 29....00 103.00 105.00 107.00 Selenium Test 44.00 45.00 46.00 47.00 48.00 Silicate/carbonate disinfectant...

9 CFR 130.17 - User fees for other veterinary diagnostic laboratory tests performed at NVSL (excluding FADDL) or...

Code of Federal Regulations, 2012 CFR

2012-01-01

... Nitrate/nitrite Test 66.00 67.00 68.00 70.00 72.00 Organic compound confirmation Test 88.00 90.00 92.00 94.00 96.00 Organic compound screen Test 151.00 155.00 158.00 161.00 165.00 Parasitology Test 29.00 29....00 103.00 105.00 107.00 Selenium Test 44.00 45.00 46.00 47.00 48.00 Silicate/carbonate disinfectant...

9 CFR 130.17 - User fees for other veterinary diagnostic laboratory tests performed at NVSL (excluding FADDL) or...

Code of Federal Regulations, 2014 CFR

2014-01-01

... Nitrate/nitrite Test 66.00 67.00 68.00 70.00 72.00 Organic compound confirmation Test 88.00 90.00 92.00 94.00 96.00 Organic compound screen Test 151.00 155.00 158.00 161.00 165.00 Parasitology Test 29.00 29....00 103.00 105.00 107.00 Selenium Test 44.00 45.00 46.00 47.00 48.00 Silicate/carbonate disinfectant...

CFA-2 and CFA-3 (Coordination Framework Augsburg University-2 and -3); novel MOFs assembled from trinuclear Cu(I)/Ag(I) secondary building units and 3,3',5,5'-tetraphenyl-bipyrazolate ligands.

PubMed

Grzywa, Maciej; Geßner, Christof; Denysenko, Dmytro; Bredenkötter, Björn; Gschwind, Fabienne; Fromm, Katharina M; Nitek, Wojciech; Klemm, Elias; Volkmer, Dirk

2013-05-21

The syntheses of H2-phbpz, [Cu2(phbpz)]·2DEF·MeOH (CFA-2) and [Ag2(phbpz)] (CFA-3) (H2-phbpz = 3,3',5,5'-tetraphenyl-1H,1'H-4,4'-bipyrazole) compounds and their crystal structures are described. The Cu(I) containing metal-organic framework CFA-2 crystallizes in the tetragonal crystal system, within space group I4(1)/a (no. 88) and the following unit cell parameters: a = 30.835(14), c = 29.306(7) Å, V = 27 865(19) Å(3). CFA-2 features a flexible 3-D three-connected two-fold interpenetrated porous structure constructed of triangular Cu(I) subunits. Upon exposure to different kinds of liquids (MeOH, EtOH, DMF, DEF) CFA-2 shows pronounced breathing effects. CFA-3 crystallizes in the monoclinic crystal system, within space group P2(1)/c (no. 14) and the following unit cell parameters: a = 16.3399(3), b = 32.7506(4), c = 16.2624(3) Å, β = 107.382(2)°, V = 8305.3(2) Å(3). In contrast to the former compound, CFA-3 features a layered 2-D three-connected structure constructed from triangular Ag(i) subunits. Both compounds are characterized by elemental and thermogravimetric analyses, single crystal structure analysis and X-ray powder diffraction, FTIR- and fluorescence spectroscopy. Preliminary results on oxygen activation in CFA-2 are presented and potential improvements in terms of framework robustness and catalytic efficiency are discussed.

Organochlorine compounds and trace elements in fish tissue and ancillary data for the Connecticut, Housatonic, and Thames river basins study unit, 1992-94

USGS Publications Warehouse

Coles, J.F.

1996-01-01

Concentrations of organochlorine compounds and trace elements were assayed in fish tissue collected from the Connecticut, Housatonic, and Thames River Basins Study Unit, 1992-94. These data were collected to determine the occurrence and distribution of organochlorine compounds and trace elements in the study unit. Ancillary data included are land-use categories by percentage of the sampling-site basins and the size, gender, and age of the individual fish collected for this study. Concentrations of 28 organochlorine compounds in composited whole fish samples were measured at 32 sites, and concentrations of 22 trace elements in composited fish liver samples were measured at 14 of the 32 sites. Most frequently detected organochlorines were DDT related compounds at 31 sites, total PCBs at 28 sites, and chlordane related compounds at 25 sites. Concentrations of total PCBs in fish tissue were generally higher at the large river sites than at the smaller tributary sites. Concentrations of chlordane-related compounds in fish tissue were higher at sites from more urbanized basins than at sites from predominately agriculture and forested basins. Concentrations of the DDT related compounds were undifferentiated among sites comprising different land uses. Trace elements detected at all 14 sites included boron, copper, iron, manganese, molybdenum, selenium, and zinc. Trace elements detected at 10 or more sites included arsenic, mercury, silver, strontium, and vanadium. Antimony, beryllium, and uranium were not detected at any site.

Method for producing nanocrystalline multicomponent and multiphase materials

DOEpatents

Eastman, Jeffrey A.; Rittner, Mindy N.; Youngdahl, Carl J.; Weertman, Julia R.

1998-01-01

A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound.

Energy gap formation mechanism through the interference phenomena of electrons in face-centered cubic elements and compounds with the emphasis on half-Heusler and Heusler compounds

NASA Astrophysics Data System (ADS)

Mizutani, U.; Sato, H.

2018-05-01

Many face-centred cubic elements and compounds with the number of atoms per unit cell N equal to 8, 12 and 16 are known to be stabilised by forming either a band gap or a pseudogap at the Fermi level. They are conveniently expressed as cF8, cF12 and cF16, respectively, in the Pearson symbol. From the cF8 family, we worked on three tetravalent elements C (diamond), Si and Ge, SZn-type AsGa compound and NaCl-type compounds like BiLu, AsSc, etc. From the cF12 family, more than 80 compounds were selected, with a particular emphasis on ABC- and half-Heusler-type ternary equiatomic compounds. Among cF16 compounds, both the Heusler compounds ABC2 and Zintl compounds were studied. We revealed that, regardless of whether or not the transition metal (TM) and/or rare-earth (RE) elements are involved as constituent elements, the energy gap formation mechanism for cF8, cF12 and cF16 compounds can be universally discussed in terms of interference phenomenon of itinerant electrons with set of reciprocal lattice planes with ? = 8, 11 and 12, where ? refers to square of the critical reciprocal of lattice vector of an fcc lattice. The number of itinerant electrons per unit cell, e/uc, for all these band gap/pseudogap-bearing compounds is found to fall on a universal line called "3/2-power law" when plotted against ? on a logarithmic scale. This proves the validity of the fulfilment of the interference condition ? in conformity with other pseudogap compounds with different crystal symmetries and different sizes of the unit cell reported in literature.

Solid-phase extraction element based on epoxy polymer monolith for determination of polar organic compounds in aqueous media.

PubMed

Takahashi, Tadashi; Odagiri, Kayo; Watanabe, Atsushi; Watanabe, Chuichi; Kubo, Takuya; Hosoya, Ken

2011-10-01

A solid-phase extraction element based on epoxy polymer monolith was fabricated for sorptive enrichment of polar compounds from liquid and gaseous samples. After ultrasonication of the element in an aqueous solution for a given period of time, the thermal desorption (TD) using a pyrolyzer with gas chromatography/mass spectrometry (GC/MS), in which TD temperature was programmed from 50 to 250 °C for the analytes absorbed in the element, was used to evaluate the element for basic extraction performance using the aqueous standard mixtures consisting of compounds having varied polarities such as hexanol, isoamyl acetate, linalool, furfural and decanoic acid, in concentrations ranging from 10 μg/L to 1 mg/L. Excellent linear relationships were observed for all compounds in the standard mixture, except decanoic acid. In the extraction of beverages such as red wine, the extraction element showed stronger adsorption characteristics for polar compounds such as alcohols and acids than a non-polar polydimethylsiloxane-based element. This feature is derived from the main polymer structure along with hydroxyl and amino groups present in the epoxy-based monolith polymer matrix. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Herbex-kid Inhibits Immediate Hypersensitivity Reactions in Mice and Rats

PubMed Central

Prasad, Rawal; Jogge, Nanjan Mulla; Bhojraj, Suresh; Emerson, Solomon F.; Prabakar, S.

2008-01-01

Herbex-kid (HK), a polyherbal formulation was evaluated in various experimental allergic models of Type I hypersensitivity reactions. Compound 48/80 (C 48/80) has been shown to induce rat mesentery mast cell degranulation and HK (1.07, 10.75 and 107.5 mg ml−1) inhibited the mast cell degranulation in a dose dependent manner. HK (1.07, 10.75 and 107.5 mg kg−1; p.o.) showed dose-dependent protection against C 48/80 induced systemic anaphylaxis in male Balb/C mice. In active anaphylaxis model, male Wistar rats orally administered with 10.75 and 107.5 mg kg−1 of HK showed significant (P < 0.01) protection against mast cell degranulation, while in passive anaphylaxis model, only at 107.5 mg kg−1 showed significant (P < 0.01) reduction in mast cell degranulation. HK at all dose levels was able to significantly decrease the time spent in nasal rubbing in Wistar rats sensitized to ovalbumin, while only at 107.5 mg kg−1 it showed significant (P < 0.01) reduction in number of sneezes. In C 48/80-induced skin itch model, all dose levels of HK significantly (P < 0.001) decreased the time spent in itching and the number of itches. HK did not produce any significant inhibition in histamine induced contraction in guinea pig ileum. From the above findings we conclude that the HK possesses antiallergic activity mediated by reducing of the release mediators from mast cells and also by 5-HT antagonism without the involvement of histamine (H1) receptors. PMID:18830458

Method for producing nanocrystalline multicomponent and multiphase materials

DOEpatents

Eastman, J.A.; Rittner, M.N.; Youngdahl, C.J.; Weertman, J.R.

1998-03-17

A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound. 6 figs.

Trace elements contamination and human health risk assessment in drinking water from Shenzhen, China.

PubMed

Lu, Shao-You; Zhang, Hui-Min; Sojinu, Samuel O; Liu, Gui-Hua; Zhang, Jian-Qing; Ni, Hong-Gang

2015-01-01

The levels of seven essential trace elements (Mn, Co, Ni, Cu, Zn, Se, and Mo) and six non-essential trace elements (Cr, As, Cd, Sb, Hg, and Pb) in a total of 89 drinking water samples collected in Shenzhen, China were determined using inductively coupled plasma mass spectrometry (ICP-MS) in the present study. Both the essential and non-essential trace elements were frequently detectable in the different kinds of drinking waters assessed. Remarkable temporal and spatial variations were observed among most of the trace elements in the tap water collected from two tap water treatment plants. Meanwhile, potential human health risk from these non-essential trace elements in the drinking water for local residents was also assessed. The median values of cancer risks associated with exposure to carcinogenic metals via drinking water consumption were estimated to be 6.1 × 10(-7), 2.1 × 10(-8), and 2.5 × 10(-7) for As, Cd, and Cr, respectively; the median values of incremental lifetime for non-cancer risks were estimated to be 6.1 × 10(-6), 4.4 × 10(-5), and 2.2 × 10(-5) for Hg, Pb, and Sb, respectively. The median value of total incremental lifetime health risk induced by the six non-essential trace elements for the population was 3.5 × 10(-5), indicating that the potential health risks from non-carcinogenic trace elements in drinking water also require some attention. Sensitivity analysis indicates that the most important factor for health risk assessment should be the levels of heavy metal in drinking water.

Human Exposure and Health Effects of Inorganic and Elemental Mercury

PubMed Central

Zheng, Wei

2012-01-01

Mercury is a toxic and non-essential metal in the human body. Mercury is ubiquitously distributed in the environment, present in natural products, and exists extensively in items encountered in daily life. There are three forms of mercury, i.e., elemental (or metallic) mercury, inorganic mercury compounds, and organic mercury compounds. This review examines the toxicity of elemental mercury and inorganic mercury compounds. Inorganic mercury compounds are water soluble with a bioavailability of 7% to 15% after ingestion; they are also irritants and cause gastrointestinal symptoms. Upon entering the body, inorganic mercury compounds are accumulated mainly in the kidneys and produce kidney damage. In contrast, human exposure to elemental mercury is mainly by inhalation, followed by rapid absorption and distribution in all major organs. Elemental mercury from ingestion is poorly absorbed with a bioavailability of less than 0.01%. The primary target organs of elemental mercury are the brain and kidney. Elemental mercury is lipid soluble and can cross the blood-brain barrier, while inorganic mercury compounds are not lipid soluble, rendering them unable to cross the blood-brain barrier. Elemental mercury may also enter the brain from the nasal cavity through the olfactory pathway. The blood mercury is a useful biomarker after short-term and high-level exposure, whereas the urine mercury is the ideal biomarker for long-term exposure to both elemental and inorganic mercury, and also as a good indicator of body burden. This review discusses the common sources of mercury exposure, skin lightening products containing mercury and mercury release from dental amalgam filling, two issues that happen in daily life, bear significant public health importance, and yet undergo extensive debate on their safety. PMID:23230464

Human exposure and health effects of inorganic and elemental mercury.

PubMed

Park, Jung-Duck; Zheng, Wei

2012-11-01

Mercury is a toxic and non-essential metal in the human body. Mercury is ubiquitously distributed in the environment, present in natural products, and exists extensively in items encountered in daily life. There are three forms of mercury, i.e., elemental (or metallic) mercury, inorganic mercury compounds, and organic mercury compounds. This review examines the toxicity of elemental mercury and inorganic mercury compounds. Inorganic mercury compounds are water soluble with a bioavailability of 7% to 15% after ingestion; they are also irritants and cause gastrointestinal symptoms. Upon entering the body, inorganic mercury compounds are accumulated mainly in the kidneys and produce kidney damage. In contrast, human exposure to elemental mercury is mainly by inhalation, followed by rapid absorption and distribution in all major organs. Elemental mercury from ingestion is poorly absorbed with a bioavailability of less than 0.01%. The primary target organs of elemental mercury are the brain and kidney. Elemental mercury is lipid soluble and can cross the blood-brain barrier, while inorganic mercury compounds are not lipid soluble, rendering them unable to cross the blood-brain barrier. Elemental mercury may also enter the brain from the nasal cavity through the olfactory pathway. The blood mercury is a useful biomarker after short-term and high-level exposure, whereas the urine mercury is the ideal biomarker for long-term exposure to both elemental and inorganic mercury, and also as a good indicator of body burden. This review discusses the common sources of mercury exposure, skin lightening products containing mercury and mercury release from dental amalgam filling, two issues that happen in daily life, bear significant public health importance, and yet undergo extensive debate on their safety.

Pressure-induced superconductivity in H2-containing hydride PbH4(H2)2

PubMed Central

Cheng, Ya; Zhang, Chao; Wang, Tingting; Zhong, Guohua; Yang, Chunlei; Chen, Xiao-Jia; Lin, Hai-Qing

2015-01-01

High pressure structure, stability, metallization, and superconductivity of PbH4(H2)2, a H2-containing compound combining one of the heaviest elements with the lightest element, are investigated by the first-principles calculations. The metallic character is found over the whole studied pressure range, although PbH4(H2)2 is metastable and easily decompose at low pressure. The decomposition pressure point of 133 GPa is predicted above which PbH4(H2)2 is stable both thermodynamically and dynamically with the C2/m symmetry. Interestedly, all hydrogen atoms pairwise couple into H2 quasi-molecules and remain this style up to 400 GPa in the C2/m structure. At high-pressure, PbH4(H2)2 tends to form the Pb-H2 alloy. The superconductivity of Tc firstly rising and then falling is observed in the C2/m PbH4(H2)2. The maximum of Tc is about 107 K at 230 GPa. The softening of intermediate-frequency phonon induced by more inserted H2 molecules is the main origin of the high Tc. The results obtained represent a significant step toward the understanding of the high pressure behavior of metallic hydrogen and hydrogen-rich materials, which is helpful for obtaining the higher Tc. PMID:26559369

Emergy Evaluations of the Global Biogeochemical Cycles of Six Biologically Active Elements and Two Compounds

EPA Science Inventory

Estimates of the emergy carried by the flows of biologically active elements (BAE) and compounds are needed to accurately evaluate the near and far field effects of anthropogenic wastes. The transformities and specific emergies of these elements and of their different chemical sp...

KSC-00pp1848

NASA Image and Video Library

2000-12-06

KENNEDY SPACE CENTER, FLA. -- Members of the STS-107 crew take part in In-Flight Maintenance training for their mission. One of the payload elements on the mission is the SPACEHAB Double Module in its first research flight into space. Checking equipment and paperwork inside the SPACEHAB Double Module are (left to right) Mission Specialist David M. Brown, Pilot William C. “Willie” McCool, Commander Rick D. Husband and Payload Specialist Ilan Ramon of Israel. STS-107 will carry a broad collection of experiments ranging from material science to life science. It is scheduled to launch July 19, 2001

KSC00pp1848

NASA Image and Video Library

2000-12-06

KENNEDY SPACE CENTER, FLA. -- Members of the STS-107 crew take part in In-Flight Maintenance training for their mission. One of the payload elements on the mission is the SPACEHAB Double Module in its first research flight into space. Checking equipment and paperwork inside the SPACEHAB Double Module are (left to right) Mission Specialist David M. Brown, Pilot William C. “Willie” McCool, Commander Rick D. Husband and Payload Specialist Ilan Ramon of Israel. STS-107 will carry a broad collection of experiments ranging from material science to life science. It is scheduled to launch July 19, 2001

Water-quality assessment of the Rio Grande Valley, Colorado, New Mexico and Texas; organic compounds and trace elements in bed sediment and fish tissue, 1992-93

USGS Publications Warehouse

Carter, L.F.; Anderholm, S.K.

1997-01-01

The occurrence and distribution of contaminants in aquatic systems are major components of the National Water-Quality Assessment (NAWQA) Program. Bed-sediment samples were collected at 18 sites in the Rio Grande Valley study unit between September 1992 and March 1993 to characterize the geographic distribution of organic compounds, including chlorinated insecticides, polychlorinated biphenyls (PCB's), and other chlorinated hydrocarbons, and also trace elements. Two-millimeter-size- fraction sediment was analyzed for organic compounds and less than 63-micron-size-fraction sediment was analyzed for trace elements. Concentrations of p,p'-DDE were detected in 33 percent of the bed-sediment samples. With the exception of DDT-related compounds, no other organochlorine insecticides or polychlorinated biphenyls were detected in samples of bed sediment. Whole-body fish samples were collected at 11 of the bed- sediment sites and analyzed for organic compounds. Organic compounds were reported more frequently in samples of fish, and more types of organic compounds were found in whole-body fish samples than in bed-sediment samples. Concentrations of p,p'-DDE were detected in 91 percent of whole-body fish samples. Polychlorinated biphenyls, cis-chlordane, trans-chlordane, trans- nonachlor, and hexachlorobenzene were other organic compounds detected in whole-body samples of fish from at least one site. Because of the extent of mineralized areas in the Rio Grande Basin arsenic, cadmium, copper, lead, mercury, selenium, and zinc concentrations in bed-sediment samples could represent natural conditions at most sites. However, a combination of natural conditions and human activities appears to be associated with elevated trace-element concentrations in the bed-sediment sample from the site Rio Grande near Creede, Colorado, because this sample exceeded the background trace-element concentrations calculated for this study. Fish-liver samples were collected at 12 of the bed-sediment sites and analyzed for trace elements. Certain trace elements were detected at higher concentrations in fish-liver samples than in bed-sediment samples from the same site. Both bed-sediment and fish-tissue samples are necessary for a complete environmental assessment of the occurrence and distribution of trace elements.

Spin-isotropic continuum of spin excitations in antiferromagnetically ordered Fe1.07Te

NASA Astrophysics Data System (ADS)

Song, Yu; Lu, Xingye; Regnault, L.-P.; Su, Yixi; Lai, Hsin-Hua; Hu, Wen-Jun; Si, Qimiao; Dai, Pengcheng

2018-02-01

Unconventional superconductivity typically emerges in the presence of quasidegenerate ground states, and the associated intense fluctuations are likely responsible for generating the superconducting state. Here we use polarized neutron scattering to study the spin space anisotropy of spin excitations in Fe1.07Te exhibiting bicollinear antiferromagnetic (AF) order, the parent compound of FeTe1 -xSex superconductors. We confirm that the low-energy spin excitations are transverse spin waves, consistent with a local-moment origin of the bicollinear AF order. While the ordered moments lie in the a b plane in Fe1.07Te , it takes less energy for them to fluctuate out of plane, similar to BaFe2As2 and NaFeAs. At energies above E ≳20 meV, we find magnetic scattering to be dominated by an isotropic continuum that persists up to at least 50 meV. Although the isotropic spin excitations cannot be ascribed to spin waves from a long-range-ordered local-moment antiferromagnet, the continuum can result from the bicollinear magnetic order ground state of Fe1.07Te being quasidegenerate with plaquette magnetic order.

Application of near-infrared spectroscopy in the detection of fat-soluble vitamins in premix feed

NASA Astrophysics Data System (ADS)

Jia, Lian Ping; Tian, Shu Li; Zheng, Xue Cong; Jiao, Peng; Jiang, Xun Peng

2018-02-01

Vitamin is the organic compound and necessary for animal physiological maintenance. The rapid determination of the content of different vitamins in premix feed can help to achieve accurate diets and efficient feeding. Compared with high-performance liquid chromatography and other wet chemical methods, near-infrared spectroscopy is a fast, non-destructive, non-polluting method. 168 samples of premix feed were collected and the contents of vitamin A, vitamin E and vitamin D3 were detected by the standard method. The near-infrared spectra of samples ranging from 10 000 to 4 000 cm-1 were obtained. Partial least squares regression (PLSR) and support vector machine regression (SVMR) were used to construct the quantitative model. The results showed that the RMSEP of PLSR model of vitamin A, vitamin E and vitamin D3 were 0.43×107 IU/kg, 0.09×105 IU/kg and 0.17×107 IU/kg, respectively. The RMSEP of SVMR model was 0.45×107 IU/kg, 0.11×105 IU/kg and 0.18×107 IU/kg. Compared with nonlinear regression method (SVMR), linear regression method (PLSR) is more suitable for the quantitative analysis of vitamins in premix feed.

Thermal neutron detector and gamma-ray spectrometer utilizing a single material

DOEpatents

Stowe, Ashley; Burger, Arnold; Lukosi, Eric

2017-05-02

A combined thermal neutron detector and gamma-ray spectrometer system, including: a detection medium including a lithium chalcopyrite crystal operable for detecting thermal neutrons in a semiconductor mode and gamma-rays in a scintillator mode; and a photodetector coupled to the detection medium also operable for detecting the gamma rays. Optionally, the detection medium includes a .sup.6LiInSe.sub.2 crystal. Optionally, the detection medium comprises a compound formed by the process of: melting a Group III element; adding a Group I element to the melted Group III element at a rate that allows the Group I and Group III elements to react thereby providing a single phase I-III compound; and adding a Group VI element to the single phase I-III compound and heating; wherein the Group I element includes lithium.

Lysobacter oligotrophicus sp. nov., isolated from an Antarctic freshwater lake in Antarctica.

PubMed

Fukuda, Wakao; Kimura, Tomomi; Araki, Shigeo; Miyoshi, Yuki; Atomi, Haruyuki; Imanaka, Tadayuki

2013-09-01

A Gram-stain-negative, non-spore-forming, rod-shaped, aerobic bacterium (strain 107-E2(T)) was isolated from freshwater samples containing microbial mats collected at a lake in Skarvsnes, Antarctica (temporary lake name, Lake Tanago Ike). Strain 107-E2(T) grew between 5 and 25 °C, with an optimum of 23 °C. Moreover, colony formation was observed on agar media even at -5 °C. The pH range for growth was between 6.0 and 9.0, with an optimum of pH 7.0-8.0. The range of NaCl concentration for growth was between 0.0 and 0.5% (w/v), with an optimum of 0.0%. No growth was observed in media containing organic compounds at high concentrations, which indicated that strain 107-E2(T) was an oligotroph. In the late stationary phase, strain 107-E2(T) produced a dark brown water-soluble pigment. Esterase, amylase and protease production was observed. Antimicrobial-lytic activities for Gram-negative bacteria and yeast were observed. Ubiquinone-8 was the major respiratory quinone. The major fatty acids were iso-C15:0, iso-C(17:1)ω9c and iso-C(15:1) at 5. The G+C content of genomic DNA was 66.1 mol%. Analysis of the 16S rRNA gene sequences revealed that strain 107-E2(T) belonged to the genus Lysobacter, and low DNA-DNA relatedness values with closely related species distinguished strain 107-E2(T) from recognized species of the genus Lysobacter. The phylogenetic situation and physiological characteristics indicated that strain 107-E2(T) should be classified as a representative of a novel species of the genus Lysobacter, for which the name Lysobacter oligotrophicus sp. nov. is proposed. The type strain is 107-E2(T) ( =JCM 18257(T) =ATCC BAA-2438(T)).

Glycine and alanine synthesis from formaldehyde and hydroxylamine in the field of ultrasound waves.

PubMed

Sokolskaya, A

1976-08-01

High intensity ultrasound waves coupled with other form of energy obviously were initiators of pre-biochemical reactions; these reactions occurred in the water masses of the primordial Earth. Essential biological substances like formaldehyde, ammonia, hydrocyanic acid, and amino acids compounds similar to carbohydrates by their properties were synthesized in the field of ultrasound waves in model experiments. The main partners of these reactions are water and gases of reductional atomosphere: hydrogen, carbon monoxide, methane, nitrogen and argon. Formation of amino acids takes place in aqueous solutions of formaldehyde and hydroxylamine. The sonication yielded alanine and glycine, 2.0 X 10(-7) and 1.8 X 10(-7) molecules per 100 eV respectively.

Extended rhodamine photosensitizers for photodynamic therapy of cancer cells.

PubMed

Davies, Kellie S; Linder, Michelle K; Kryman, Mark W; Detty, Michael R

2016-09-01

Extended thio- and selenorhodamines with a linear or angular fused benzo group were prepared. The absorption maxima for these compounds fell between 640 and 700nm. The extended rhodamines were evaluated for their potential as photosensitizers for photodynamic therapy in Colo-26 cells. These compounds were examined for their photophysical properties (absorption, fluorescence, and ability to generate singlet oxygen), for their dark and phototoxicity toward Colo-26 cells, and for their co-localization with mitochondrial-specific agents in Colo-26 and HUT-78 cells. The angular extended rhodamines were effective photosensitizers toward Colo-26 cells with 1.0Jcm(-2) laser light delivered at λmax±2nm with values of EC50 of (2.8±0.4)×10(-7)M for sulfur-containing analogue 6-S and (6.4±0.4)×10(-8)M for selenium-containing analogue 6-Se. The linear extended rhodamines were effective photosensitizers toward Colo-26 cells with 5 and 10Jcm(-2) of broad-band light (EC50's⩽2.4×10(-7)M). Copyright © 2016 Elsevier Ltd. All rights reserved.

Extracts of Fruits and Vegetables Activate the Antioxidant Response Element in IMR-32 Cells.

PubMed

Orena, Stephen; Owen, Jennifer; Jin, Fuxia; Fabian, Morgan; Gillitt, Nicholas D; Zeisel, Steven H

2015-09-01

The biological effects of antioxidant nutrients are mediated in part by activation of antioxidant response elements (AREs) on genes for enzymes involved in endogenous pathways that prevent free radical damage. Traditional approaches for identifying antioxidant molecules in foods, such as total phenolic compound (TP) content or oxygen radical absorption capacity (ORAC), do not measure capacity to activate AREs. The goal of this study was to develop an assay to assess the ARE activation capacity of fruit and vegetable extracts and determine whether such capacity was predicted by TP content and/or ORAC activity. Fruits and vegetables were homogenized, extracted with acidified ethanol, lyophilized, and resuspended in growth medium. Human IMR-32 neuroblastoma cells, transfected with an ARE-firefly luciferase reporter, were exposed to extracts for 5 h. Firefly luciferase was normalized to constitutively expressed Renilla luciferase with tertiary butylhydroquinone (tBHQ) as a positive control. TP content and ORAC activity were measured for each extract. Relations between TPs and ORAC and ARE activity were determined. A total of 107 of 134 extracts tested significantly activated the ARE-luciferase reporter from 1.2- to 58-fold above that of the solvent control (P < 0.05) in human IMR-32 cells. ARE activity, TP content, and ORAC ranked higher in peels than in associated flesh. Despite this relation, ARE activity did not correlate with TP content (Spearman ρ = 0.05, P = 0.57) and only modestly but negatively correlated with ORAC (Spearman ρ = -0.24, P < 0.01). Many extracts activated the ARE more than predicted by the TP content or ORAC. The ARE reporter assay identified many active fruit and vegetable extracts in human IMR-32 cells. There are components of fruits and vegetables that activate the ARE but are not phenolic compounds and are low in ORAC. The ARE-luciferase reporter assay is likely a better predictor of the antioxidant benefits of fruits and vegetables than TP or ORAC. © 2015 American Society for Nutrition.

Modelling of charged satellite motion in Earth's gravitational and magnetic fields

NASA Astrophysics Data System (ADS)

Abd El-Bar, S. E.; Abd El-Salam, F. A.

2018-05-01

In this work Lagrange's planetary equations for a charged satellite subjected to the Earth's gravitational and magnetic force fields are solved. The Earth's gravity, and magnetic and electric force components are obtained and expressed in terms of orbital elements. The variational equations of orbit with the considered model in Keplerian elements are derived. The solution of the problem in a fully analytical way is obtained. The temporal rate of changes of the orbital elements of the spacecraft are integrated via Lagrange's planetary equations and integrals of the normalized Keplerian motion obtained by Ahmed (Astron. J. 107(5):1900, 1994).

Rotordynamic Analysis with Shell Elements for the Transfer Matrix Method

DTIC Science & Technology

1989-08-01

consistent kindness and extraordinarily good direction in the completion of this work. I am very pleased to acknowledge my brothers in Christ. Vinai ...modelling used in the transfer ma- trix approach. Rouch et al., (1979), Nelson (1980), To (1981), Greenhill et al., (1985), and Gupta (1986) have all...Reliability in Design, Vol. 107, pp. 4 2 1-4 3 0 . Gupta , A.K., 1986, --Finite Element Analysis of Vibration of Tapered Beams," Shock and Vibration

Nonaqueous method for dissolving lanthanide and actinide metals

DOEpatents

Crisler, L.R.

1975-11-11

Lanthanide and actinide beta-diketonate complex molecular compounds are produced by reacting a beta-diketone compound with a lanthanide or actinide element in the elemental metallic state in a mixture of carbon tetrachloride and methanol.

Method for the removal of elemental mercury from a gas stream

DOEpatents

Mendelsohn, Marshall H.; Huang, Hann-Sheng

1999-01-01

A method is provided to remove elemental mercury from a gas stream by reacting the gas stream with an oxidizing solution to convert the elemental mercury to soluble mercury compounds. Other constituents are also oxidized. The gas stream is then passed through a wet scrubber to remove the mercuric compounds and oxidized constituents.

Method for the removal of elemental mercury from a gas stream

DOEpatents

Mendelsohn, M.H.; Huang, H.S.

1999-05-04

A method is provided to remove elemental mercury from a gas stream by reacting the gas stream with an oxidizing solution to convert the elemental mercury to soluble mercury compounds. Other constituents are also oxidized. The gas stream is then passed through a wet scrubber to remove the mercuric compounds and oxidized constituents. 7 figs.

Utilizing a CdTe quantum dots-enzyme hybrid system for the determination of both phenolic compounds and hydrogen peroxide.

PubMed

Yuan, Jipei; Guo, Weiwei; Wang, Erkang

2008-02-15

In this paper, we attempt to construct a simple and sensitive detection method for both phenolic compounds and hydrogen peroxide, with the successful combination of the unique property of quantum dots and the specificity of enzymatic reactions. In the presence of H2O2 and horseradish peroxidase, phenolic compounds can quench quantum dots' photoluminescence efficiently, and the extent of quenching is severalfold to more than 100-fold increase. Quinone intermediates produced from the enzymatic catalyzed oxidation of phenolic compounds were believed to play the main role in the photoluminescence quenching. Using a quantum dots-enzyme system, the detection limits for phenolic compounds and hydrogen peroxide were detected to be approximately 10(-7) mol L(-1). The coupling of efficient quenching of quantum dot photoluminescence by quinone and the effective enzymatic reactions make this a simple and sensitive method for phenolic compound detection and great potential in the development of H2O2 biosensors for various analytes.

Atmosphere purification of radon and radon daughter elements

DOEpatents

Stein, L.

1974-01-01

A method of removing radon and radon daughter elements from an atmosphere containing these elements by passing the atmosphere through a bed of fluorinating compound whereby the radon and radon daughters are oxidized to their respective fluorides is discussed. These fluorides adhere to the fluorinating compound and are thus removed from the atmosphere which may then be recirculated. A method for recovering radon and separating radon from its daughter elements is also described. (Official Gazette)

Synthesis of dibenzodioxazocines and their effects on cholinesterases and muscarinic cholinergic receptors.

PubMed

Gaál, J; Batke, J; Borsodi, A; Rózsa, L; Somogyi, G

1989-01-01

A new family of tricyclic compounds, the dibenzodioxazocines were synthesized. These compounds were the following: 2-chloro-12-(2-piperidino-ethyl)-dibenzo d,g 1,3,6 dioxazocine hydrochloride: EGYT-2347, 2-chloro-12-(3-dimethylamino-2-methyl-propyl)-dibenzo [d,g] [1,3,6]-dibenzodioxazocine hydrochloride: EGYT-2509, 2-chloro-12-(3-dimethylamino-propyl)-dibenzo [d,g] [1,3,6] dioxazocine-maleate: EGYT-2474 and 2-chloro-12-2-(4-methyl-piperazino)-ethyl-dibenzo [d,g] [1,3,6]-dioxazocine-dihydrochloride: EGYT-2541. These compounds are inhibitors of both butyryl- and acetylcholinesterase to and they exhibited relatively good anticholinergic properties in receptor binding experiments. The most selective inhibitor of butyrylcholinesterase is the compound EGYT-2347 (Ki = 1.5 x 10(-7) M) which strongly binds to rat brain muscarinic cholinergic receptor (KD = 4.1 x 10(-8) M).

Effects of B and Mo on the magnetic properties of NdFeTi-nitrides with ThMn[sub 12]-type structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Y.B.; Kim, H.T.; Kim, C.S.

1993-11-01

The alloys having nearly single phase of ThMn[sub 12]-type structure (1-12 phase) have been successfully synthesized in NdFe[sub 10.7]Ti[sub 1.3[minus]y]M[sub y] (M = B/Mo) alloy systems by substituting B or Mo up to 23% of Ti (y=0.3). After nitrification, the unit cell volume of 1--12 phase has increased by about 2--3% and a-Fe phase of 5--15 wt.% has been formed depending on the substitutional elements. The nitrides, NdFe[sub 10.7]TiB[sub 0.3]N[sub x] and Nd Fe[sub 10.7]TiMo[sub 0.3]N[sub x], were confirmed to have uniaxial anisotropy by X-ray diffractometry. The results of magnetic measurements for the nitrides have shown that B is verymore » effective for the increase of both Curie temperature and magnetization. On the other band, Mo is effective for the increase of anisotropy field, but it decreases the magnetization. The Curie temperature and magnetization of NdFe[sub 10.7]TiB[sub 0.3]N[sub x] are 560 C and 148 Am[sup 2] /kg, respectively, by about 20% and 15% higher than those of NdFe[sub 10.7]Ti[sub 1.3]N[sub x]. The anisotropy field of NdFe[sub 10.7]TiMo[sub 0.3]N[sub x] is about 7960 kA/m (100 kOe) which is about 25% higher than that of NdFe[sub 10.7]Ti[sub 1.3]N[sub x].« less

INAA Application for Trace Element Determination in Biological Reference Material

NASA Astrophysics Data System (ADS)

Atmodjo, D. P. D.; Kurniawati, S.; Lestiani, D. D.; Adventini, N.

2017-06-01

Trace element determination in biological samples is often used in the study of health and toxicology. Determination change to its essentiality and toxicity of trace element require an accurate determination method, which implies that a good Quality Control (QC) procedure should be performed. In this study, QC for trace element determination in biological samples was applied by analyzing the Standard Reference Material (SRM) Bovine muscle 8414 NIST using Instrumental Neutron Activation Analysis (INAA). Three selected trace element such as Fe, Zn, and Se were determined. Accuracy of the elements showed as %recovery and precision as %coefficient of variance (%CV). The result showed that %recovery of Fe, Zn, and Se were in the range between 99.4-107%, 92.7-103%, and 91.9-112%, respectively, whereas %CV were 2.92, 3.70, and 5.37%, respectively. These results showed that INAA method is precise and accurate for trace element determination in biological matrices.

Liquid electrolyte-free, solid-state solar cells with inorganic hole transport materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kanatzidis, Mercouri G.; Chung, In; Lee, Byunghong

Photovoltaic cells incorporating the compounds A/M/X compounds as hole transport materials are provide. The A/M/X compounds comprise one or more A moieties, one or more M atoms and one or more X atoms. The A moieties are selected from organic cations and elements from Group 1 of the periodic table, the M atoms are selected from elements from at least one of Groups 3, 4, 5, 13, 14 or 15 of the periodic table, and the X atoms are selected from elements from Group 17 of the periodic table.

Organic compounds and trace elements in the Pocomoke River and its tributaries

USGS Publications Warehouse

Miller, Cherie V.; Foster, Gregory D.; Huff, Thomas B.; Garbarino, John R.

1999-01-01

In response to concern about recent blooms of the dinoflagellate, Pfiesteria piscicida, samples of sediment and water were collected from the lower Pocomoke River Basin and were screened for trace elements, pesticides, and other organic compounds. A large group of steroid and fatty acid methyl-ester compounds was detected in streamwater using gas chromatography/mass spectroscopy in scan mode. Some of these steroid compounds have been identified and further quantified in bed-sediment extracts. Spatial patterns of the concentrations of cholesterol suggest that these compounds are linked to the runoff of animal wastes into the river. Many of the organic compounds found in the Pocomoke River sediments have not yet been identified, but at least several are in the class of hormone compounds related to estradiols and have the potential to promote endocrine-disrupting effects in aquatic life. Particulate forms of arsenic and zinc are slightly elevated above normal levels for streams, but the sources for these elements are still undetermined. Several pesticides were found in low, parts-per-trillion concentrations, but were within the ranges commonly found in streams of this region.

Development of Intelligent Method for Differential Diagnosis of Specific Language Impairment

DTIC Science & Technology

2001-10-25

Grant Number Program Element Number Author(s) Project Number Task Number Work Unit Number Performing Organization Name(s) and Address(es) Dept...Development in a Grammatical SLI boy: Modularity and Innateness, Journal of Neurolinguistics 10, (1997) 75-107. [8] J.P. Craiger, D.F. Goodman, R.J

Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase.

PubMed

Boyle, N A; Talesa, V; Giovannini, E; Rosi, G; Norton, S J

1997-09-12

Fourteen alkyl and aryl thiocarbonate derivatives of choline were synthesized and studied as potential inhibitors of acetylcholinesterase (AChE). Twelve of the compounds inhibited AChEs derived from calf forebrain, human red blood cells, and octopus brain ranging from low to moderately high inhibition potency. The concentration of each inhibitory compound giving 50% inhibition of enzyme activity (IC50 values, which ranged from 1 x 10(-2) to 8 x 10(-7) M) was determined and is reported; inhibitor constants (Ki values) for the most inhibitory compounds, (1-pentylthiocarbonyl)choline chloride and (1-heptylthiocarbonyl)choline chloride, were calculated from kinetic data and are also reported. The inhibitors are competitive with substrate, and they are not hydrolyzed by the AChE activities. Certain of these new compounds may provide direction for the development of new drugs that have anticholinesterase activity and may be used for the treatment of Alzheimer's disease.

PTP1B inhibitory secondary metabolites from marine-derived fungal strains Penicillium spp. and Eurotium sp.

PubMed

Sohn, Jae Hak; Lee, Yu-Ri; Lee, Dong-Sung; Kim, Youn-Chul; Oh, Hyuncheol

2013-09-28

The selective inhibition of PTP1B has been widely recognized as a potential drug target for the treatment of type 2 diabetes and obesity. In the course of screening for PTP1B inhibitory fungal metabolites, the organic extracts of several fungal species isolated from marine environments were found to exhibit significant inhibitory effects, and the bioassay-guided investigation of these extracts resulted in the isolation of fructigenine A (1), cyclopenol (2), echinulin (3), flavoglaucin (4), and viridicatol (5). The structures of these compounds were determined mainly by analysis of NMR and MS data. These compounds inhibited PTP1B activity with 50% inhibitory concentration values of 10.7, 30.0, 29.4, 13.4, and 64.0 micrometer, respectively. Furthermore, the kinetic analysis of PTP1B inhibition by compounds 1 and 5 suggested that compound 1 inhibited PTP1B activity in a noncompetitive manner, whereas compound 5 inhibited PTP1B activity in a competitive manner.

Benzimidazobenzothiazole-based highly-efficient thermally activated delayed fluorescence emitters for organic light-emitting diodes: A quantum-chemical TD-DFT study

NASA Astrophysics Data System (ADS)

Zhu, Qiuling; Wen, Keke; Feng, Songyan; Guo, Xugeng; Zhang, Jinglai

2018-03-01

Based upon two thermally activated delayed fluorescence (TADF) emitters 1 and 2, compounds 3-6 have been designed by replacing the carbazol group with the bis(4-biphenyl)amine one (3 and 4) and introducing the electron-withdrawing CF3 group into the acceptor unit of 3 and 4 (5 and 6). It is found that the present calculations predict comparable but relatively large energy differences (approximate 0.5 eV) between the lowest singlet S1 and triplet T1 states (Δ EST) for the six targeted compounds. In order to explain the highly-efficient TADF behavior observed in compounds 1 and 2, the"triplet reservoir" mechanism has been proposed. In addition, the fluorescence rates of all six compounds are very large, in 107-108 orders of magnitude. According to the present calculations, it is a reasonable assumption that the newly designed compounds 3-6 could be considered as the potential TADF emitters, which needs to be further verified by experimental techniques.

Concentrations of volatile organic compounds in the passenger side and the back seat of automobiles.

PubMed

Jo, W K; Park, K H

1999-01-01

The in-vehicle volatile organic compound (VOC) concentrations during commutes have previously been measured in only one single interior sampling location, considering a sample collected in the single interior location as representative of overall VOC concentrations within an automobile. The present study evaluated if the potential differences in VOC concentrations occur in the automobiles' interior during idling and commuting under different driving conditions associated with the use of air cleaning devices (ACDs) and interior fan. The experiments were conducted under the low ventilation condition with the windows and the vent closed and the fan off. The difference of VOC concentrations between passenger side and back seat during idling was small. The variability of VOC concentrations with location inside automobiles while commuting was not significant at p < 0.05, regardless of the use of ACDs and/or the interior fan, while inter-vehicle variability was significant at p < 0.05. In addition, currently available ACDs equipped with activated carbon filters in Korea were ineffective at removing VOCs from the interior of automobiles. The concentrations of the two lightest ones of the target compounds, benzene and toluene, were significantly higher inside two vehicles than in the roadway air at p < 0.05, while the in-vehicle and roadway concentrations of the other target compounds did not differ significantly at p < 0.05 for both vehicles. The concentrations of all target VOCs, except benzene, were significantly higher (p < 0.05) in the interior of older car than of newer car. Median in-vehicle concentrations of benzene, toluene, ethylbenzene, p-xylene, m-xylene, and o-xylene were 38.3, 107, 9.2, 7.8, 16.9, and 10.7 micrograms/m3, respectively.

Preparation of cermets

DOEpatents

Morgan, Chester S.

1978-01-01

Cermets are produced by the process of forming a physical mixture of a ceramic powder material with an elemental metal precursor compound and by decomposing the elemental metal precursor compound within the mixture. The decomposition step may be carried out either prior to or during a forming and densification step.

Reconnaissance of Soil, Ground Water, and Plant Contamination at an Abandoned Oilfield-Service Site near Shawnee, Oklahoma, 2005-2006

USGS Publications Warehouse

Mashburn, Shana L.; Smith, S. Jerrod

2007-01-01

The U.S. Geological Survey, in cooperation with the Absentee Shawnee Tribe of Oklahoma, began a reconnaissance study of a site in Pottawatomie County, Oklahoma, in 2005 by testing soil, shallow ground water, and plant material for the presence of trace elements and semivolatile organic compounds. Chemical analysis of plant material at the site was investigated as a preliminary tool to determine the extent of contamination at the site. Thirty soil samples were collected from 15 soil cores during October 2005 and analyzed for trace elements and semivolatile organic compounds. Five small-diameter, polyvinyl-chloride-cased wells were installed and ground-water samples were collected during December 2005 and May 2006 and analyzed for trace elements and semivolatile organic compounds. Thirty Johnsongrass samples and 16 Coralberry samples were collected during September 2005 and analyzed for 53 constituents, including trace elements. Results of the soil, ground-water, and plant data indicate that the areas of trace element and semivolatile organic compound contamination are located in the shallow (A-horizon) soils near the threading barn. Most of the trace-element concentrations in the soils on the study site were either similar to or less than trace-element concentrations in background soils. Several trace elements and semivolatile organic compounds exceeded the U.S. Environmental Protection Agency, Region 6, Human Health Medium-Specific Screening Levels 2007 for Tap Water, Residential Soils, Industrial Indoor Soils, and Industrial Outdoor Soils. There was little or no correlation between the plant and soil sample concentrations and the plant and ground-water concentrations based on the current sample size and study design. The lack of correlation between trace-element concentrations in plants and soils, and plants and ground water indicate that plant sampling was not useful as a preliminary tool to assess contamination at the study site.

Eugenol and methyl eugenol chemotypes of essential oil of species Ocimum gratissimum L. and Ocimum campechianum Mill. from Colombia.

PubMed

Pino Benitez, Nayive; Meléndez León, Erika M; Stashenko, Elena E

2009-10-01

Essential oils chemical constituents of leaves of O. gratissimum and O. campechianum of the Lamiaceae family, collected in Chocó of northwest Colombian, were obtained by microwave-assisted hydrodistillation and analyzed by gas chromatography coupled with mass spectrometry. A total of 33 and 37 compounds were identified in the essential oil of O. gratissimum and O. campechianum, respectively. O. gratissimum's main essential oils were eugenol (43.2%), 1,8-cineole (12.8%) and beta-selinene (9.0%); in the O. campechianum essential oil, the main components were methyl eugenol (12.0%), germacrene D (10.1%), and eugenol (9.0%). Main distribution of compounds in these essential oils are 25.0% monoterpenes hydrocarbons, 15.0% monoterpenes oxygenated, 35.0% sesquiterpenes hydrocarbons, 7.5% other oxygenated components for O. gratissimum, 33.9% sesquiterpenes hydrocarbons, and 10.7% their respective oxygenated derivates; for O. campechianum, the distribution was 10.7% monoterpenes hydrocarbons and 7.1% their respective oxygenated derivates and 3.6% phenylpropanes. According to the essential oils chemical composition of Ocimum gratissimum and O. campechianum, they are classified as eugenol and methyl eugenol chemotype, respectively.

Electronic Transmutation (ET): Chemically Turning One Element into Another.

PubMed

Zhang, Xinxing; Lundell, Katie A; Olson, Jared K; Bowen, Kit H; Boldyrev, Alexander I

2018-03-08

The concept of electronic transmutation (ET) depicts the processes that by acquiring an extra electron, an element with the atomic number Z begins to have properties that were known to only belong to its neighboring element with the atomic number Z+1. Based on ET, signature compounds and chemical bonds that are composed of certain elements can now be designed and formed by other electronically transmutated elements. This Minireview summarizes the recent developments and applications of ET on both the theoretical and experimental fronts. Examples on the ET of Group 13 elements into Group 14 elements, Group 14 elements into Group 15 elements, and Group 15 elements into Group 16 elements are discussed. Compounds and chemical bonding composed of carbon, silicon, germanium, phosphorous, oxygen and sulfur now have analogues using transmutated boron, aluminum, gallium, silicon, nitrogen, and phosphorous. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Global and local approaches to population analysis: Bonding patterns in superheavy element compounds

NASA Astrophysics Data System (ADS)

Oleynichenko, Alexander; Zaitsevskii, Andréi; Romanov, Stepan; Skripnikov, Leonid V.; Titov, Anatoly V.

2018-03-01

Relativistic effective atomic configurations of superheavy elements Cn, Nh and Fl and their lighter homologues (Hg, Tl and Pb) in their simple compounds with fluorine and oxygen are determined using the analysis of local properties of molecular Kohn-Sham density matrices in the vicinity of heavy nuclei. The difference in populations of atomic spinors with the same orbital angular momentum and different total angular momenta is demonstrated to be essential for understanding the peculiarities of chemical bonding in superheavy element compounds. The results are fully compatible with those obtained by the relativistic iterative version of conventional projection analysis of global density matrices.

Indicative and complementary effects of human biological indicators for heavy metal exposure assessment.

PubMed

Xing, Ruiya; Li, Yonghua; Zhang, Biao; Li, Hairong; Liao, Xiaoyong

2017-10-01

Although human biological indicators have been widely utilized for biomonitoring environmental pollutants in health exposure assessment, the relationship between internal and external exposure has not yet been adequately established. In this study, we collected and analyzed 61 rice, 56 pepper, and 58 soil samples, together with 107 hair, 107 blood, and 107 urine samples from residents living in selected intensive mining areas in China. Concentrations of most of the four elements considered (Pb, Cd, Hg, and Se) exceeded national standards, implying high exposure risk in the study areas. Regression analysis also revealed a correlation (0.33, P < 0.001) between the concentration of Pb in soil and that in human hair (as well as in human blood); to some extent, Pb content in hair and blood could therefore be used to characterize external Pb exposure. The correlation between Hg in rice and in human hair (up to 0.5, P < 0.001) further confirmed a significant indicative effect of human hair for Hg exposure. A significant correlation was also noted between concentrations of some elements in different human samples, for example, between Hg in hair and blood (0.641, P < 0.01) and between Cd in urine and blood (0.339, P < 0.01). To some extent, there could thus be mutual reflectance of the same heavy metal in different samples, with the possibility for complementary use in assessing heavy metal exposure.

Online characterization of isomeric/isobaric components in the gas phase of mainstream cigarette smoke by tunable synchrotron radiation vacuum ultraviolet photoionization time-of-flight mass spectrometry and photoionization efficiency curve simulation.

PubMed

Pan, Yang; Hu, Yonghua; Wang, Jian; Ye, Lili; Liu, Chengyuan; Zhu, Zhixiang

2013-12-17

A newly developed, qualitative and quantitative method based on tunable synchrotron radiation vacuum ultraviolet photoionization time-of-flight mass spectrometry (SR-VUV-PI-TOFMS) and photoionization efficiency (PIE) curve simulation was applied for the online analysis of isomers and isobaric compounds in the gas phase of mainstream cigarette smoke. After blocking the particulate phase components by the Cambridge filter pad, a puff of fresh gas-phase cigarette smoke was immediately introduced into a vacuum ionization chamber through a heated capillary, then was photoionized, and analyzed by a TOF mass spectrometer. The PIE curves for the mass peaks up to m/z = 106 were measured between 8.0 and 10.7 eV. Some components could be directly identified by their discriminated ionization energies (IEs) on the PIE curve. By simulating the PIE curve with the sum of scaled absolute photoionization cross sections (PICSs), complex isomeric/isobaric compounds along with their mole fractions could be obtained when the best-fitting was realized between experimental and simulated PIE curves. A series of reported toxic compounds for quantification, such as 1,3-butadiene (m/z = 54), 1,3-cyclopentadiene (m/z = 66), benzene (m/z = 78), xylene (m/z = 106), 2-propenal (m/z = 56), acetone and propanal (m/z = 58), crotonaldehyde (m/z = 70), furan and isoprene (m/z = 68), were all found to have other isomers and/or isobaric compounds with considerable abundances. Some isomers have never been reported previously in cigarette smoke, like C5H6 isomers 1-penten-3-yne, 3-penten-1-yne, and 1-penten-4-yne at m/z = 66. Isomeric/isobaric compounds characterization for the mass peaks and mole fraction calculations were discussed in detail below 10.7 eV, an energy value covering several conventional used VUV light sources.

Chemistry of peroxide compounds

NASA Technical Reports Server (NTRS)

Volnov, I. I.

1981-01-01

The history of Soviet research from 1866 to 1967 on peroxide compounds is reviewed. This research dealt mainly with peroxide kinetics, reactivity and characteristics, peroxide production processes, and more recently with superoxides and ozonides and emphasis on the higher oxides of group 1 and 2 elements. Solid state fluidized bed synthesis and production of high purity products based on the relative solubilities of the initial, intermediate, and final compounds and elements in liquid ammonia are discussed.

Method for purifying bidentate organophosphorus compounds

DOEpatents

Schulz, Wallace W.

1977-01-01

Bidentate organophosphorus compounds useful for extracting actinide elements from acidic nuclear waste solutions are purified of undesirable acidic impurities by contacting the compounds with ethylene glycol which preferentially extracts the impurities found in technical grade bidentate compounds.

[Inhibitory effects of 11 coumarin compounds against growth of human bladder carcinoma cell line E-J in vitro].

PubMed

Yang, Xiu-wei; Xu, Bo; Ran, Fu-xiang; Wang, Rui-qing; Wu, Jun; Cui, Jing-rong

2007-01-01

To screen antitumor active compounds, drug-like or leading compounds from Chinese traditional and herbal drugs. Eleven coumarin compounds isolated from the Chinese traditional and herbal drugs were studied for their antitumor activities in vitro by determining the inhibition rates against growth of human bladder carcinoma cell line E-J. It showed that umbelliferone, scoparone, demethylfuropinarine, isopimpinellin, forbesoside, columbianadin, decursin and glycycoumarin inhibited the growth of human bladder carcinoma cell line E-J in vitro and their activities showed a concentration-effect relationship. The inhibitory effects of forbesoside, columbianadin, decursin and umbelliferone, with IC50 values of 7.50x10(-7), 2.30x10(-6), 6.00x10(-6) and 1.30x10(-6) mol/L, respectively, were stronger than those of the other tested compounds. However, xanthotoxin, esculin and sphondin did not inhibit the growth of human bladder carcinoma cell line E-J in this assay condition. These findings indicate that forbesoside, columbianadin, esculin, decursin and umbelliferone would be effective or regarded as potent drug-like or leading compounds against human bladder carcinoma.

Process for oxidation of hydrogen halides to elemental halogens

DOEpatents

Lyke, Stephen E.

1992-01-01

An improved process for generating an elemental halogen selected from chlorine, bromine or iodine, from a corresponding hydrogen halide by absorbing a molten salt mixture, which includes sulfur, alkali metals and oxygen with a sulfur to metal molar ratio between 0.9 and 1.1 and includes a dissolved oxygen compound capable of reacting with hydrogen halide to produce elemental halogen, into a porous, relatively inert substrate to produce a substrate-supported salt mixture. Thereafter, the substrate-supported salt mixture is contacted (stage 1) with a hydrogen halide while maintaining the substrate-supported salt mixture during the contacting at an elevated temperature sufficient to sustain a reaction between the oxygen compound and the hydrogen halide to produce a gaseous elemental halogen product. This is followed by purging the substrate-supported salt mixture with steam (stage 2) thereby recovering any unreacted hydrogen halide and additional elemental halogen for recycle to stage 1. The dissolved oxygen compound is regenerated in a high temperature (stage 3) and an optical intermediate temperature stage (stage 4) by contacting the substrate-supported salt mixture with a gas containing oxygen whereby the dissolved oxygen compound in the substrate-supported salt mixture is regenerated by being oxidized to a higher valence state.

Production of pure metals

NASA Technical Reports Server (NTRS)

Philipp, W. H.; Marsik, S. J.; May, C. E. (Inventor)

1974-01-01

A process for depositing elements by irradiating liquids is reported. Ultra pure elements are precipitated from aqueous solutions or suspensions of compounds. A solution of a salt of a metal to be prepared is irradiated, and the insoluble reaction product settles out. Some chemical compounds may also be prepared in this manner.

Electronegativity and the Bond Triangle

ERIC Educational Resources Information Center

Meek, Terry L.; Garner, Leah D.

2005-01-01

The usefulness of the bond triangle for categorizing compounds of the main-group elements may be extended by the use of weighted average electronegativities to allow distinction between compounds of the same elements with different stoichiometries. In such cases a higher valency for the central atom leads to greater covalent character and the…

Bulk semiconducting scintillator device for radiation detection

DOEpatents

Stowe, Ashley C.; Burger, Arnold; Groza, Michael

2016-08-30

A bulk semiconducting scintillator device, including: a Li-containing semiconductor compound of general composition Li-III-VI.sub.2, wherein III is a Group III element and VI is a Group VI element; wherein the Li-containing semiconductor compound is used in one or more of a first mode and a second mode, wherein: in the first mode, the Li-containing semiconductor compound is coupled to an electrical circuit under bias operable for measuring electron-hole pairs in the Li-containing semiconductor compound in the presence of neutrons and the Li-containing semiconductor compound is also coupled to current detection electronics operable for detecting a corresponding current in the Li-containing semiconductor compound; and, in the second mode, the Li-containing semiconductor compound is coupled to a photodetector operable for detecting photons generated in the Li-containing semiconductor compound in the presence of the neutrons.

Organochlorine compounds and trace elements in fish tissue and streambed sediment in the Mobile River Basin, Alabama, Mississippi, and Georgia, 1998

USGS Publications Warehouse

Zappia, Humbert

2002-01-01

During the summer of 1998, as part of the National Water-Quality Assessment Program, a survey was conducted to determine which organochlorine compounds and trace elements occur in fish tissues and streambed sediments in the Mobile River Basin, which includes parts of Alabama, Mississippi, Georgia, and Tennessee. The data collected were compared to guidelines related to wildlife, land use, and to 1991 and 1994 National Water-Quality Assessment Program Study-Unit data.Twenty-one sites were sampled in subbasins of the Mobile River Basin. The subbasins ranged in size from about 9 to 22,000 square miles and were dominated by either a single land use or a combination of land uses. The major land-use categories were urban, agriculture, and forest.Organochlorine compounds were widespread spatially in the Mobile River Basin. At least one organochlorine compound was reported at the majority of sampling sites (84 percent) and in a majority of whole-fish (80 percent) and streambed-sediment (52 percent) samples. Multiple organochlorine compounds were reported at 75 percent of the sites where fish tissues were collected and were reported at many of the streambed-sediment sampling sites (45 percent). The majority of concentrations reported, however, were less than 5 micrograms per kilogram in fish-tissue samples and less than 1 microgram per kilogram in streambed-sediment samples.The majority of trace elements analyzed in fish-liver tissue (86 percent) and streambed-sediment (98 percent) samples were reported during this study. Multiple trace elements were reported in all samples and at all sites.Based on comparisons of concentrations of organochlorine compounds and trace elements in fish-tissue and streambed-sediment samples in relation to National Academy of Science and National Academy of Engineering and Canadian tissue guidelines, probable-effects concentrations, and mean probable-effects concentration quotients for streambed sediment, the potential exists for adverse effects to wildlife at 15 (72 percent) of the sites sampled. The potential for adverse effects at these sites is because of the presence of residues or breakdown products related to polychlorinated biphenyls (PCB?s), chlordane, dichlorodiphenyltrichloroethane (DDT), chromium, lead, and zinc.The majority of compounds reported (65 percent) were chlordane, DDT, and PCB?s, or their breakdown products. Concentrations of chlordane and heptachlor epoxide in whole-fish tissue were positively correlated to the amount of urban land use in a basin. Total DDT concentrations in whole-fish tissues were positively correlated to agriculture.The relation of trace elements to land use is not as clear as the relation of organochlorine compounds to land use. This lack of clarity may be due to the possibility of geologic sources of trace elements in the Mobile River Basin and to the ubiquitous nature of many of these trace elements. However, there may be a correlation between the amount of urban land use and concentrations of antimony, cadmium, lead, and zinc in streambed-sediment samples from the Mobile River Basin.Fewer organochlorine compounds and trace elements were reported in samples from the Mobile River Basin than in samples collected during the 1991 and 1994 National Water-Quality Assessment Program studies. Of the organochlorine compounds analyzed nationally, 57 percent were reported in whole-fish tissue samples collected locally and 41 percent were reported in streambed-sediment samples collected locally, whereas 96 percent and 86 percent, respectively, were reported nationally. Of trace elements analyzed nationally, 86 percent were reported in fish-liver tissue locally and 95 percent were reported in streambed-sediment samples locally, whereas 95 percent and 98 percent, respectively, were reported nationally.In general, concentrations of organochlorine compounds and trace elements and the frequency with which they were reported in the Mobile River Basin are similar to or less than t

Organic and inorganic aerosol compositions in Ulaanbaatar, Mongolia, during the cold winter of 2007 to 2008: Dicarboxylic acids, ketocarboxylic acids, and α-dicarbonyls

NASA Astrophysics Data System (ADS)

Jung, Jinsang; Tsatsral, Batmunkh; Kim, Young J.; Kawamura, Kimitaka

2010-11-01

To investigate the distributions and sources of water-soluble organic acids in the Mongolian atmosphere, aerosol samples (PM2.5, n = 34) were collected at an urban site (47.92°N, 106.90°E, ˜1300 m above sea level) in Ulaanbaatar, the capital of Mongolia, during the cold winter. The samples were analyzed for water-soluble dicarboxylic acids (C2-C12) and related compounds (ketocarboxylic acids and α-dicarbonyls), as well as organic carbon (OC), elemental carbon, water-soluble OC, and inorganic ions. Distributions of dicarboxylic acids and related compounds were characterized by a predominance of terephthalic acid (tPh; 130 ± 51 ng m-3, 19% of total detected organic acids) followed by oxalic (107 ± 28 ng m-3, 15%), succinic (63 ± 20 ng m-3, 9%), glyoxylic (55 ± 18 ng m-3, 8%), and phthalic (54 ± 27 ng m-3, 8%) acids. Predominance of terephthalic acid, which has not been reported previously in atmospheric aerosols, was mainly due to uncontrolled burning of plastic bottles and bags in home stoves for heating and waste incineration during the cold winter. This study demonstrated that most of the air pollutants were directly emitted from local sources such as heat and power plants, home stoves, and automobiles. Development of an inversion layer (<700 m above ground level) over the basin of Ulaanbaatar accelerated the accumulation of pollutants, causing severe haze episodes during the winter season.

Reactions of yttria-stabilized zirconia with oxides and sulfates of various elements

NASA Technical Reports Server (NTRS)

Zaplatynsky, I.

1978-01-01

The reactions between partially stabilized zirconia, containing 8 weight-percent yttria, and oxides and sulfates of various elements were studied at 1200, 1300, and 1400 C for times to 800, 400, and 200 hours, respectively. These oxides and sulfates represent impurities and additives potentially present in gas turbine fuels or impurities in the turbine combustion air as well as the elements of the substrate alloys in contact with zirconia. Based on the results, these compounds can be classified in four groups: (1) compounds which did not react with zirconia (Na2SO4, K2SO4, Cr2O3, Al2O3 and NiO); (2) compounds that reached completely with both zirconia phases (CaO, BaO, and BaSO4); (3) compounds that reacted preferentially with monoclinic zirconia (Na2O, K2O, CoO, Fe2O3, MgO, SiO2, and ZnO); and (4) compounds that reacted preferentially with cubic zirconia (V2O5, P2O5).

Effects of urbanization and long-term rainfall on the occurrence of organic compounds and trace elements in reservoir sediment cores, streambed sediment, and fish tissue from the Santa Ana River basin, California, 1998

USGS Publications Warehouse

Burton, Carmen A.

2002-01-01

Organcochlorine compounds, semivolatile-organic compounds (SVOC), and trace elements were analyzed in reservoir sediment cores, streambed sediment, and fish tissue in the Santa Ana River Basin as part of the U.S. Geological Survey's National Water-Quality Assessment Program. Three reservoirs were sampled in areas that have different degrees of urbanization. Streambed sediment and fish tissue collected at 12 sites were divided into two groups, urban and nonurban. More organochlorine compounds were detected in reservoir sediment cores, streambed sediment and fish tissue, and at higher concentrations at urban sites than at nonurban sites. At all sites, except West Street Basin, concentrations of organochlorine compounds were lower than the probable-effect concentration (PEC). At the highly urbanized West Street Basin, chlordane and p,p'-DDE exceeded the PEC throughout the historical record. The less stringent threshold-effect concentration (TEC) was exceeded for six compounds at eight sites. Most of the organochlorine compounds detected in streambed sediment and fish tissue were at urban sites on the Santa Ana River as opposed to its tributaries, suggesting accumulation and persistence in the river. More SVOCs were detected in reservoir sediment cores and streambed sediment, and at higher concentrations, at urban sites than at nonurban sites. At all the sites, except West Street Basin, concentrations of SVOCs were lower than the PEC. At West Street Basin, chrysene, pyrene, and total polycyclic-aromatic hydrocarbons exceeded the PEC throughout the historical record. The TEC was exceeded for 10 compounds at 3 sites. Most of the SVOCs were detected in streambed sediment at urban sites on tributaries to the Santa Ana River rather than the mainstem itself. The less frequent occurrence and lower concentrations in the Santa Ana River suggest that SVOCs are less persistent than organochlorine compounds, possibly as a result of volatization, gradation, or dilution. Most trace-element detections in reservoir sediment cores and streambed sediment were at urban sites, and the concentrations were generally higher than at nonurban sites. Lead and zinc exceeded their PECs at West Street Basin throughout the historical record; copper exceeded its PEC at Canyon Lake, an area of urban growth. The TEC was exceeded for 10 compounds at 11 sites. Frequency of detection and concentration did not differ between tributary and Santa Ana River sites, which may be attributed to the fact that trace elements occur naturally. Four trace elements (arsenic, copper, mercury, and selenium) had higher concentrations in fish tissue at nonurban sites than at urban sites. Concentrations decreased over time for organochlorine compounds at all three reservoirs, probably a result of the discontinued use of many of the compounds. Decreasing trends in SVOCs and trace elements were observed at West Street Basin, but increasing trends were observed at Canyon Lake. Concentrations of organochlorine compounds, SVOCs, and trace elements were higher during periods of above average rainfall at both West Street Basin and Canyon Lake.

Production method for making rare earth compounds

DOEpatents

McCallum, R.W.; Ellis, T.W.; Dennis, K.W.; Hofer, R.J.; Branagan, D.J.

1997-11-25

A method of making a rare earth compound, such as a earth-transition metal permanent magnet compound, without the need for producing rare earth metal as a process step, comprises carbothermically reacting a rare earth oxide to form a rare earth carbide and heating the rare earth carbide, a compound-forming reactant (e.g., a transition metal and optional boron), and a carbide-forming element (e.g., a refractory metal) that forms a carbide that is more thermodynamically favorable than the rare earth carbide whereby the rare earth compound (e.g., Nd{sub 2}Fe{sub 14}B or LaNi{sub 5}) and a carbide of the carbide-forming element are formed.

Production method for making rare earth compounds

DOEpatents

McCallum, R. William; Ellis, Timothy W.; Dennis, Kevin W.; Hofer, Robert J.; Branagan, Daniel J.

1997-11-25

A method of making a rare earth compound, such as a earth-transition metal permanent magnet compound, without the need for producing rare earth metal as a process step, comprises carbothermically reacting a rare earth oxide to form a rare earth carbide and heating the rare earth carbide, a compound-forming reactant (e.g. a transition metal and optional boron), and a carbide-forming element (e.g. a refractory metal) that forms a carbide that is more thermodynamically favorable than the rare earth carbide whereby the rare earth compound (e.g. Nd.sub.2 Fe.sub.14 B or LaNi.sub.5) and a carbide of the carbide-forming element are formed.

Concentrations of trace elements and compounds in the airborne suspended particulate matter in Cleveland, Ohio, from August 1971 to August 1972 and their dependence on wind direction: Complete data listing and concentration roses

NASA Technical Reports Server (NTRS)

King, R. B.; Neustadter, H. E.

1976-01-01

Concentrations of 75 chemical constituents in the airborne particulate matter were measured in Cleveland, Ohio during 1971 and 1972. Daily values, maxima, geometric means and their standard deviations covering a 1-year period (45 to 50 sampling days) at each of 16 sites are presented on microfiche for 60 elements, and for a lesser number of days for 10 polycyclic aromatic hydrocarbon compounds (PAH), the aliphatic hydrocarbon compounds (AH) as a group and carbon. In addition, concentration roses showing directional properties are presented for 39 elements, 10 PAH and the AH as a group. The elements (except carbon) are shown both in terms of concentration and percentage of the suspended particulate matter.

DNA Microarray Profiling of a Diverse Collection of Nosocomial Methicillin-Resistant Staphylococcus aureus Isolates Assigns the Majority to the Correct Sequence Type and Staphylococcal Cassette Chromosome mec (SCCmec) Type and Results in the Subsequent Identification and Characterization of Novel SCCmec-SCCM1 Composite Islands

PubMed Central

Brennan, Orla M.; Deasy, Emily C.; Rossney, Angela S.; Kinnevey, Peter M.; Ehricht, Ralf; Monecke, Stefan; Coleman, David C.

2012-01-01

One hundred seventy-five isolates representative of methicillin-resistant Staphylococcus aureus (MRSA) clones that predominated in Irish hospitals between 1971 and 2004 and that previously underwent multilocus sequence typing (MLST) and staphylococcal cassette chromosome mec (SCCmec) typing were characterized by spa typing (175 isolates) and DNA microarray profiling (107 isolates). The isolates belonged to 26 sequence type (ST)-SCCmec types and subtypes and 35 spa types. The array assigned all isolates to the correct MLST clonal complex (CC), and 94% (100/107) were assigned an ST, with 98% (98/100) correlating with MLST. The array assigned all isolates to the correct SCCmec type, but subtyping of only some SCCmec elements was possible. Additional SCCmec/SCC genes or DNA sequence variation not detected by SCCmec typing was detected by array profiling, including the SCC-fusidic acid resistance determinant Q6GD50/fusC. Novel SCCmec/SCC composite islands (CIs) were detected among CC8 isolates and comprised SCCmec IIA-IIE, IVE, IVF, or IVg and a ccrAB4-SCC element with 99% DNA sequence identity to SCCM1 from ST8/t024-MRSA, SCCmec VIII, and SCC-CI in Staphylococcus epidermidis. The array showed that the majority of isolates harbored one or more superantigen (94%; 100/107) and immune evasion cluster (91%; 97/107) genes. Apart from fusidic acid and trimethoprim resistance, the correlation between isolate antimicrobial resistance phenotype and the presence of specific resistance genes was ≥97%. Array profiling allowed high-throughput, accurate assignment of MRSA to CCs/STs and SCCmec types and provided further evidence of the diversity of SCCmec/SCC. In most cases, array profiling can accurately predict the resistance phenotype of an isolate. PMID:22869569

Neutron imaging systems utilizing lithium-containing semiconductor crystals

DOEpatents

Stowe, Ashley C.; Burger, Arnold

2017-04-25

A neutron imaging system, including: a plurality of Li-III-VI.sub.2 semiconductor crystals arranged in an array, wherein III represents a Group III element and VI represents a Group VI element; and electronics operable for detecting and a charge in each of the plurality of crystals in the presence of neutrons and for imaging the neutrons. Each of the crystals is formed by: melting the Group III element; adding the Li to the melted Group III element at a rate that allows the Li and Group III element to react, thereby providing a single phase Li-III compound; and adding the Group VI element to the single phase Li-III compound and heating. Optionally, each of the crystals is also formed by doping with a Group IV element activator.

Prime Contract Awards by Service Category and Federal Supply Classification Fiscal Years 1987, 1986, 1985, and 1984.

DTIC Science & Technology

1987-01-01

RECREATIONAL AND GYMNASTIC EQUIPMENT 6.225 2,390 3,790 5,248 TOTAL RECREATIONAL AND ATHLETIC EQUIPMENT 9.749 4,303 6,107 7.703 CLEANING EQUIPMENT AND...PAINTS, SEALERS AND ADHESIVES (CONT) 8020 PAINT AND ARTISTS BRUSHES 186 0 0 0 8030 PRESERVATIVE AND SEALING COMPOUNDS 1,030 780 2,485 1,503 8040

Preliminary analysis of an extensive one year survey of trace elements and compounds in the suspended particulate matter in Cleveland, Ohio

NASA Technical Reports Server (NTRS)

King, R. B.; Fordyce, J. S.; Antoine, A. C.; Leibecki, H. F.; Neustadter, H. E.; Sidik, S. M.; Burr, J. C.; Craig, G. T.; Cornett, C. L.

1974-01-01

Beginning in 1971 a cooperative program has been carried on by the City of Cleveland Division of Air Pollution Control and NASA Lewis Research Center to study the trace element and compound concentrations in the ambient suspended particulate matter in Cleveland Ohio as a function of source, monitoring location and meteorological conditions. The major objectives were to determine the ambient concentration levels at representative urban sites and to develop a technique using trace element and compound data in conjunction with meteorological conditions to identify specific pollution sources which could be developed into a practical system that could be readily utilized by an enforcement agency.

The specificity of induction of alpha-galactosidase from Saccharomyces carlsbergensis.

PubMed

Flórez, I G; Lazo, P S; Ochoa, A G; Gascón, S

1981-04-17

A number of sugars and derivatives have been tested for their ability to induce the synthesis of alpha-galactosidase from Saccharomyces carlsbergensis. Besides galactose and the substrates of the enzyme melibiose, raffinose and stachyose, D-galacturonic acid, L-arabinose, D-tagatose, methyl-alpha-D-galactoside, lactose and isopropyl-beta-D-thiogalactoside were able to act as inducers. Of these, methyl-alpha-D-galactoside, lactose, isopropyl-beta-D-thiogalactoside and L-arabinose have been shown to be gratuitous inducers with which kinetic studies of induction have been carried out. Lactose was the most efficient inducer, giving a maximal differential rate of synthesis of the enzyme of 110 mU/10(7) cells at a concentration of 180 mM, followed by L-arabinose (60 mU/10(7) cells at 40 mM), isopropyl-beta-D-thiogalactoside (43 mU/10(7) cells at 60 mM) and methyl-alpha-D-galactoside (25 mU/10(7) cells at 150 mM). The concentration of inducer required to obtain half-maximal induction was similar for lactose, L-arabinose and isopropyl-beta-D-thiogalactoside and about 5-fold higher for methyl-alpha-D-galactoside. The property of the compounds to act as inducers was compared to their ability to interact with the enzyme and the results discussed in terms of the molecular structures which are recognized by the enzyme and by the induction machinery.

Hydrogen atom donor compounds as contrast enhancers for black-and-white photothermographic and thermographic elements

DOEpatents

Harring, Lori S.; Simpson, Sharon M.; Sansbury, Francis H.

1997-01-01

Hydrogen atom donor compounds are useful as contrast enhancers when used in combination with (i) hindered phenol developers, and (ii) trityl hydrazide and/or formyl-phenyl hydrazine co-developers, to produce ultra-high contrast black-and-white photothermographic and thermographic elements. The photothermographic and thermographic elements may be used as a photomask in a process where there is a subsequent exposure of an ultraviolet or short wavelength visible radiation-sensitive imageable medium.

[Determination of 24 metal elements and their compounds in air of workplace by ICP-AES].

PubMed

Wang, Xiang; Qiu, Jianguo; Zhao, Zhonglin; Guo, Ying

2014-06-01

To establish a method for determination of the levels of 24 metal elements and their compounds in the air of workplace by inductively coupled plasma-atomic emission spectroscopy (ICP- AES). Sampling filters were digested by microwave, and diluted to 25 ml. Twenty-four elements (Mg, Ni, K, Mo, Zn, Ca, Ba, Pb, Mn, Cd, Cr, Co, Cu, Sr, Bi, Tl, Sn, Li, Sb, Zr, In, V, Y, and Be) were simultaneously measured by ICP-AES. The detection limits for 24 elements were 0.001∼0.029 mg/L; liner correlation coefficient r values were all equal to or above 0.9994; the relative standard derivations were less than 5%; the recovery rates were 91.2%∼103.9%; the degradation rates in 7 days were less than 9.7%. ICP-AES technique is a simple, rapid, accurate, and reliable method, which can be used to measure 24 metal elements and their compounds in the air of workplace.

Testing marine shales' ability to generate catalytic gas at low temperature

NASA Astrophysics Data System (ADS)

Wei, L.; Schimmelmann, A.; Drobniak, A.; Sauer, P. E.; Mastalerz, M.

2013-12-01

Hydrocarbon gases are generally thought to originatevia low-temperature microbial or high-temperature thermogenicpathways (Whiticar, 1996) that can be distinguished by compound-specific hydrogen and carbon stable isotope ratios. An alternative low-temperature catalytic pathway for hydrocarbon generation from sedimentary organic matter has been proposed to be active at temperatures as low as 50oC (e.g.,Mango and Jarvie,2009,2010; Mango et al., 2010; Bartholomew et al., 1999). This hypothesis, however, still requires rigoroustesting by independent laboratory experiments.The possibility of catalytic generation of hydrocarbons in some source rocks (most likely in relatively impermeable and organic-rich shales where reduced catalytic centers can be best preserved) would offer an explanation for the finding of gas of non-microbial origin in formations that lack the thermal maturity for generating thermogenic gas.It is unknown whether catalytically generated methane would be isotopically different from thermogenicmethane (δ13CCH4>-50‰, δ2HCH4from -275‰ to -100‰) ormicrobially generated methane (δ13CCH4from -40‰ to -110‰, δ2HCH4from -400‰to -150‰) (Whiticar, 1998). In order to test for catalytic gas generationin water-wet shales and coals, we are conductinglaboratory experiments at three temperatures (60°C, 100°C, 200°C)and three pressures (ambient pressure, 107 Pa, 3x107 Pa)over periods of six months to several years. So far, our longest running experiments have reached one year. We sealed different types of thermally immature, pre-evacuatedshales (Mowry, New Albany, and Mahoganyshales) and coals (SpringfieldCoal and Wilcoxlignite)with isotopically defined waters in gold cells in the absence of elemental oxygen.Preliminary results show that these samples, depending on conditions, can generate light hydrocarbon gases (methane, ethane and propane) and CO2. Methane, CO2, and traces of H2havebeen generated at 60°C, whereas experiments at 100°C and 200°C also yielded ethane and propane. As of July 2013, our preliminary dataindicate that the amount of light hydrocarbon gasesincreases with temperature and decreases with increasing pressure.Gas yields after 1 year are typically about twice as large as after 6 months. Decreasing the pressure from 3x107 Pato 107 Payields 3 to 6 times more gases, all other factors being equal. A temperature increase from 60°C to 200°C increases gas yields by a factor of ~40. For example, at 60°C over 6 months at 107 Pa, MowryShale can generate 0.4 μmol methane per gram TOC, and the yield decreases to 0.06 μmolat3x107 Pa.δ2HCH4 from Springfield Coal and Mowry Shale decreases with time and temperature, whereas pressure's influence on δ2HCH4value seems to varyamong source rocks.δ2HCH4from Mowry, Wilcox and Mahogany shales andδ2HH2Oare not correlated, which stands in contrast tothe results of traditional hydrous pyrolysis experimentsat temperatures above 300°C (Schimmelmann et al., 1999). If the methane from gold cells was indeed generated via catalysis, the hydrogen isotope data would suggest that the mechanism of catalytic gas generation is different from thermogenesis.

The organic analysis and carbon chemistry of lunar samples: Their significance for exobiology; Proceedings of the Conference, University of Maryland, College Park, Md., October 26-28, 1971.

NASA Technical Reports Server (NTRS)

1972-01-01

Various methods used in the organic analysis of lunar samples are reviewed. The scope, advantages, and limitations of these methods are discussed, with particular emphasis on possible sources of contamination and experimental artifacts inherent in their use. A broad survey of the organogenic elements and compounds found in lunar samples covers the search for biogenic structures and viable organisms; the abundance and isotopic composition of various elements and compounds; the search for porphyrins, amino acids, or amino acid precursors; and the presence of heterocylics, aromatic hydrocarbons, and other organic compounds. The sources of the organogenic elements and compounds detected in lunar samples are discussed. The significance of the lunar organic analysis for exobiology is discussed in terms of its relevance to and implications for the studies of chemical evolution and terrestrial organic geochemistry. Individual items are announced in this issue.

Multi-element compound specific stable isotope analysis of chlorinated aliphatic contaminants derived from chlorinated pitches.

PubMed

Filippini, Maria; Nijenhuis, Ivonne; Kümmel, Steffen; Chiarini, Veronica; Crosta, Giovanni; Richnow, Hans H; Gargini, Alessandro

2018-05-30

Tetrachloroethene and trichloroethene are typical by-products of the industrial production of chloromethanes. These by-products are known as "chlorinated pitches" and were often dumped in un-contained waste disposal sites causing groundwater contaminations. Previous research showed that a strongly depleted stable carbon isotope signature characterizes chlorinated compounds associated with chlorinated pitches whereas manufactured commercial compounds have more enriched carbon isotope ratios. The findings were restricted to a single case study and one element (i.e. carbon). This paper presents a multi-element Compound-Specific Stable Isotope Analysis (CSIA, including carbon, chlorine and hydrogen) of chlorinated aliphatic contaminants originated from chlorinated pitches at two sites with different hydrogeology and different producers of chloromethanes. The results show strongly depleted carbon signatures at both sites whereas the chlorine and the hydrogen signatures are comparable to those presented in the literature for manufactured commercial compounds. Multi-element CSIA allowed the identification of sources and site-specific processes affecting chloroethene transformation in groundwater as a result of emergency remediation measures. CSIA turned out to be an effective forensic tool to address the liability for the contamination, leading to a conviction for the crimes of unintentional aggravated public water supply poisoning and environmental disaster. Copyright © 2018 Elsevier B.V. All rights reserved.

Synthesis, structural characterization and DFT calculation on a square-planar Ni(II) complex of a compartmental Schiff base ligand

NASA Astrophysics Data System (ADS)

Biswas, Surajit; Dolai, Malay; Dutta, Arpan; Ali, Mahammad

2016-12-01

Reaction of a symmetric compartmental Schiff-base ligand, (H2L) with nickel(II) perchlorate hexahydrate in 1:1 M ratio in methanol gives rise to a mononuclear nickel(II) compound, NiL (1). The compound has been characterized by C, H, N microanalyses and UV-Vis spectra. The single crystal X-ray diffraction studies reveal a square planar geometry around the Ni(II) center. The compound crystallizes in monoclinic system with space group C2/c with a = 21.6425(6), b = 9.9481(3), c = 13.1958(4) Å, β = 107.728(2)°, V = 2706.16(14) Å3 and Z = 4. Ground state DFT optimization and TDDFT calculations on the ligand and complex were performed to get their UV-Vis spectral pattern.

Reactive codoping of GaAlInP compound semiconductors

DOEpatents

Hanna, Mark Cooper [Boulder, CO; Reedy, Robert [Golden, CO

2008-02-12

A GaAlInP compound semiconductor and a method of producing a GaAlInP compound semiconductor are provided. The apparatus and method comprises a GaAs crystal substrate in a metal organic vapor deposition reactor. Al, Ga, In vapors are prepared by thermally decomposing organometallic compounds. P vapors are prepared by thermally decomposing phospine gas, group II vapors are prepared by thermally decomposing an organometallic group IIA or IIB compound. Group VIB vapors are prepared by thermally decomposing a gaseous compound of group VIB. The Al, Ga, In, P, group II, and group VIB vapors grow a GaAlInP crystal doped with group IIA or IIB and group VIB elements on the substrate wherein the group IIA or IIB and a group VIB vapors produced a codoped GaAlInP compound semiconductor with a group IIA or IIB element serving as a p-type dopant having low group II atomic diffusion.

Volatile organic compounds and trace metal level in some beers collected from Romanian market

NASA Astrophysics Data System (ADS)

Voica, Cezara; Kovacs, Melinda; Vadan, Marius

2013-11-01

Beer is one of the most popular beverages at worldwide level. Through this study fifteen different types of beer collected from Romanian market were analysed in order to evaluate their mineral, trace element as well the their organic content. Importance of such characterization of beer samples is supported by the fact that their chemical composition can affect both taste and stability of beer, as well the consumer health. Minerals and trace elements analysis were performed on ICP-MS while organic compounds analysis was done through GC-MS. Through ICP-MS analysis, elements as Ca, Na, K and Mg were evidenced at mgṡkg-1 order while elements as Cr, Ba, Co, Ni were detected at lower level. After GC-MS analysis the major volatile compounds that were detected belong to alcohols namely ethanol, propanol, isobutanol, isoamyl alcohol and linalool. Selected fatty acids and esters were evidenced also in the studied beer samples.

Method of making compound semiconductor films and making related electronic devices

DOEpatents

Basol, Bulent M.; Kapur, Vijay K.; Halani, Arvind T.; Leidholm, Craig R.; Roe, Robert A.

1999-01-01

A method of forming a compound film includes the steps of preparing a source material, depositing the source material on a base to form a precursor film, and heating the precursor film in a suitable atmosphere to form a film. The source material includes Group IB-IIIA alloy-containing particles having at least one Group IB-IIIA alloy phase, with Group IB-IIIA alloys constituting greater than about 50 molar percent of the Group IB elements and greater than about 50 molar percent of the Group IIIA elements in the source material. The film, then, includes a Group IB-IIIA-VIA compound. The molar ratio of Group IB to Group IIIA elements in the source material may be greater than about 0.80 and less than about 1.0, or substantially greater than 1.0, in which case this ratio in the compound film may be reduced to greater than about 0.80 and less than about 1.0. The source material may be prepared as an ink from particles in powder form. The alloy phase may include a dopant. Compound films including a Group IIB-IVA-VA compound or a Group IB-VA-VIA compound may be substituted using appropriate substitutions in the method. The method, also, is applicable to fabrication of solar cells and other electronic devices.

Assessment for Learning Tasks and the Peer Assessment Process

ERIC Educational Resources Information Center

Lauf, Lorraine; Dole, Shelley

2010-01-01

A program of Assessment for Learning (AfL) was implemented with 107 Year 12 students as part of their preparation for a major external test. Students completed extended mathematics tasks and selected student responses were used for peer assessment purposes. This paper reports on two of the AfL elements, namely task selection and peer assessment as…

Process and apparatus for formation of photovoltaic compounds

DOEpatents

Hall, Robert B.; Rocheleau, Richard E.

1985-01-01

The invention relates to a process and apparatus for formation and deposition of thin films on a substrate, in a vacuum, by evaporation of the elements to form a Zn.sub.x Cd.sub.1-x S compound having a preselected fixed ratio of cadmium to zinc, characterized by the evaporation of cadmium and zinc at a rate the ratio of which is proportional to the stoichiometric ratio of those elements in the intended compound and evaporation of sulfur at a rate at least twice the combined rates of cadmium and zinc, and at least twice that required by the stoichiometry of the intended compound.

Identification of "Known Unknowns" Utilizing Accurate Mass Data and ChemSpider

NASA Astrophysics Data System (ADS)

Little, James L.; Williams, Antony J.; Pshenichnov, Alexey; Tkachenko, Valery

2012-01-01

In many cases, an unknown to an investigator is actually known in the chemical literature, a reference database, or an internet resource. We refer to these types of compounds as "known unknowns." ChemSpider is a very valuable internet database of known compounds useful in the identification of these types of compounds in commercial, environmental, forensic, and natural product samples. The database contains over 26 million entries from hundreds of data sources and is provided as a free resource to the community. Accurate mass mass spectrometry data is used to query the database by either elemental composition or a monoisotopic mass. Searching by elemental composition is the preferred approach. However, it is often difficult to determine a unique elemental composition for compounds with molecular weights greater than 600 Da. In these cases, searching by the monoisotopic mass is advantageous. In either case, the search results are refined by sorting the number of references associated with each compound in descending order. This raises the most useful candidates to the top of the list for further evaluation. These approaches were shown to be successful in identifying "known unknowns" noted in our laboratory and for compounds of interest to others.

Comprehensive comparative analysis of volatile compounds in citrus fruits of different species.

PubMed

Zhang, Haipeng; Xie, Yunxia; Liu, Cuihua; Chen, Shilin; Hu, Shuangshuang; Xie, Zongzhou; Deng, Xiuxin; Xu, Juan

2017-09-01

The volatile profiles of fruit peels and juice sacs from 108 citrus accessions representing seven species were analyzed. Using GC-MS 162 and 107 compounds were determined in the peels and juice sacs, respectively. In the peels, monoterpene alcohols were accumulated in loose-skin mandarins; clementine tangerines and papedas were rich in sesquiterpene alcohols, sesquiterpenes, monoterpene alcohols and monoterpene aldehydes. β-pinene and sabinene were specifically accumulated in 4 of 5 lemon germplasms. Furthermore, concentrations of 34 distinctive compounds were selected to best represent the volatile profiles of seven species for HCA analysis, and the clustering results were in agreement with classic citrus taxonomy. Comparison of profiles from different growing seasons and production areas indicated that environmental factors play important roles in volatile metabolism. In addition, a few citrus germplasms that accumulated certain compounds were determined as promising breeding materials. Notably, volatile biosynthesis via MVA pathway in C. ichangensis 'Huaihua' was enhanced. Copyright © 2017. Published by Elsevier Ltd.

An automated compound screening for anti-aging effects on the function of C. elegans sensory neurons.

PubMed

Bazopoulou, Daphne; Chaudhury, Amrita R; Pantazis, Alexandros; Chronis, Nikos

2017-08-24

Discovery of molecular targets or compounds that alter neuronal function can lead to therapeutic advances that ameliorate age-related neurodegenerative pathologies. Currently, there is a lack of in vivo screening technologies for the discovery of compounds that affect the age-dependent neuronal physiology. Here, we present a high-throughput, microfluidic-based assay for automated manipulation and on-chip monitoring and analysis of stimulus-evoked calcium responses of intact C. elegans at various life stages. First, we successfully applied our technology to quantify the effects of aging and age-related genetic and chemical factors in the calcium transients of the ASH sensory neuron. We then performed a large-scale screen of a library of 107 FDA-approved compounds to identify hits that prevented the age-dependent functional deterioration of ASH. The robust performance of our assay makes it a valuable tool for future high-throughput applications based on in vivo functional imaging.

A facile stereoselective synthesis of dispiro-indeno pyrrolidine/pyrrolothiazole-thiochroman hybrids and evaluation of their antimycobacterial, anticancer and AchE inhibitory activities.

PubMed

Bharkavi, Chelliah; Vivek Kumar, Sundaravel; Ashraf Ali, Mohamed; Osman, Hasnah; Muthusubramanian, Shanmugam; Perumal, Subbu

2016-11-15

A facile stereoselective synthesis of novel dispiro indeno pyrrolidine/pyrrolothiazole-thiochroman hybrids has been achieved by 1,3-dipolar cycloaddition of azomethine ylides, generated in situ from ninhydrin and sarcosine/thiaproline, on a series of 3-benzylidenethiochroman-4-ones. The synthesised compounds were screened for their antimycobacterial, anticancer and AchE inhibition activities. Compound 4l (IC 50 1.07μM) has been found to exhibit the most potent antimycobacterial activity compared to cycloserine (12 times), pyrimethamine (37 times) and ethambutol (IC 50 <1.56μM) and 6l (IC 50 =2.87μM) is more active than both cycloserine (4 times) and pyrimethamine (12 times). Three compounds, 4a, 6b and 6i, display good anticancer activity against CCRF-CEM cell lines. Compounds 6g and 4g display maximum AchE inhibitory activity with IC 50 values of 1.10 and 1.16μmol/L respectively. Copyright © 2016 Elsevier Ltd. All rights reserved.

Biobased Carbon Fibers and High-Performance Thermosetting Resins for Use in U.S. Department of Defense Applications

DTIC Science & Technology

2012-06-01

For the synthesis of the first novel resin, BIO-Y-1, the core scaffold was directly methacrylated using either methacryoyl chloride or methacrylic...107  5.2.3  Synthesis of Methacrylated Lignin Model Compounds ..................................108  5.2.4  Monomer and...145  6.2.2  Synthesis of Vanillin-Based Resin ..................................................................146  6.2.3  Resin

Prime Contract Awards by Service Category and Federal Supply Classification, Fiscal Years 1982, 1983, 1984, 1985.

DTIC Science & Technology

1985-01-01

GAMES TOYS AND WHEELED GOODS 711 351 568 380 7830 RECREATIONAL AND GYMNASTIC EQUIPMENT 3,938 2,498 5.248 3,790 TOTAL 8,292 5.278 7,703 6.107 79 CLEANING...PAINTS DOPES VARNISHES AND RELATED PROD 10,453 3.478 3.662 5,123 8020 PAINT AND ARTISTS BRUSHES 11 0 0 0 8030 PRESERVATIVE AND SEALING COMPOUNDS 2.169

Laser desorption of explosives as a way to create an effective non-contact sampling device

NASA Astrophysics Data System (ADS)

Akmalov, Artem E.; Chistyakov, Alexander A.; Kotkovskii, Gennadii E.

2015-10-01

Comparison of desorption effectiveness of Nd3+:YAG nanosecond laser sources (λ=266, 354, 532 nm) has been carried out to investigate a possibility of creating a non-contact sampling device for detectors of explosives based on principles of ion mobility spectrometry (IMS) and field asymmetric ion mobility spectrometry (FAIMS). The results of mass spectrometric study of laser desorption of nitroamine, nitrate ester and nitroaromatic compounds from a quartz substrate are presented. It is shown that irradiation of adsorbed layers of studied samples by a single pulse of non-resonant laser radiation (λ=532 nm) leads to efficient desorption at laser intensity 107 W/cm2 and above. Excitation of the first singlet state of nitro compounds by resonant radiation (λ=354 nm) provides heating of adsorbed layers and thermal desorption. A strongly non-equilibrium (non-thermal) dissociation process is developed when the second singlet state of nitroaromatic molecules is excited by radiation at λ=266 nm, along with thermal desorption. It is shown that Nd3+: YAG laser with wavelength λ=266 nm, pulse duration 5-10 ns, intensity 107-109 W/cm2 is the most effective source for creation a non-contact sampling device based on desorption of explosives from surfaces.

Nonaqueous capillary electrophoresis with indirect electrochemical detection.

PubMed

Matysik, Frank-Michael; Marggraf, Daniela; Gläser, Petra; Broekaert, José A C

2002-11-01

Nonaqueous capillary electrophoresis (NACE) which makes use of organic solvents in place of conventional aqueous electrophoresis buffers is gaining increasing importance among modern separation techniques. Recently, it has been shown that amperometric detection in conjunction with acetonitrile-based NACE offers an extended accessible potential range and an enhanced long-term stability of the amperometric responses generated at solid electrodes. The present contribution takes advantage of the latter aspect to develop reliable systems for NACE with indirect electrochemical detection (IED). In this context, several compounds such as (ferrocenylmethyl)trimethylammonium perchlorate, tris(1,10-phenanthroline)cobalt(III) perchlorate and bis(1,4,7-triazacyclononane)nickel(II) perchlorate were studied regarding their suitability to act as electroactive buffer additives for IED in NACE. The performance characteristics for the respective buffer systems were evaluated. Tetraalkylammonium perchlorates served as model compounds for the optimization of the NACE-IED system. Target analytes choline and acetylcholine could easily be separated and determined by means of NACE-IED. In the case of a buffer system containing 10(-4) M tris(1,10-phenanthroline)cobalt(III) perchlorate the limits of detection were 2.5 x 10(-7) M and 4.6 x 10(-7) M for choline and acetylcholine, respectively. With the elaborated analytical procedure choline could be determined in pharmaceutical preparations.

What does a compound letter tell the psychologist's mind?

PubMed

Navon, David

2003-11-01

The paradigm based on using compound stimuli for studying global and local processing is revisited. Noting that not all researchers employ compound stimuli for the same purpose, the issue of its purpose is discussed. It is argued that the paradigm is pertinent for examining at least three notions--formation preference, global addressability, and within-object global precedence. It is suggested that findings in the paradigm are accommodated well by a disjunction of those three perceptual dispositions. A number of further issues associated with the interpretation of findings obtained with it are examined as well. An experimental study is reported that is meant to examine one such issue--a possible artifact putatively introduced by the special attribute of element homogeneity characteristic of compound stimuli. Seven experiments were used to examine to what extent, if at all, global advantage observed in compound stimulus paradigms depends on element heterogeneity. Across those experiments, heterogeneity did not have any effect that could be interpreted as suggesting that the paradigm is biased in favor of the global structure due to element homogeneity.

Optical sensing elements for nitrogen dioxide (NO.sub.2) gas detection, a sol-gel method for making the sensing elements and fiber optic sensors incorporating nitrogen dioxide gas optical sensing elements

DOEpatents

Mechery, Shelly John [Mississippi State, MS; Singh, Jagdish P [Starkville, MS

2007-07-03

A sensing element, a method of making a sensing element, and a fiber optic sensor incorporating the sensing element are described. The sensor can be used for the quantitative detection of NO.sub.2 in a mixture of gases. The sensing element can be made by incorporating a diazotizing reagent which reacts with nitrous ions to produce a diazo compound and a coupling reagent which couples with the diazo compound to produce an azo dye into a sol and allowing the sol to form an optically transparent gel. The sensing element changes color in the presence of NO.sub.2 gas. The temporal response of the absorption spectrum at various NO.sub.2 concentrations has also been recorded and analyzed. Sensors having different design configurations are described. The sensing element can detect NO.sub.2 gas at levels of parts per billion.

Beta cell device using icosahedral boride compounds

DOEpatents

Aselage, Terrence L.; Emin, David

2002-01-01

A beta cell for converting beta-particle energies into electrical energy having a semiconductor junction that incorporates an icosahedral boride compound selected from B.sub.12 As.sub.2, B.sub.12 P.sub.2, elemental boron having an .alpha.-rhombohedral structure, elemental boron having a .beta.-rhombohedral structure, and boron carbides of the chemical formula B.sub.12-x C.sub.3-x, where 0.15

Trace elements and organic compounds in streambed sediment and aquatic biota from the Sacramento River Basin, California, October and November 1995

USGS Publications Warehouse

MacCoy, Dorene E.; Domagalski, Joseph L.

1999-01-01

Elevated levels of trace elements and hydrophobic organic compounds were detected in streambed sediments and aquatic biota [Asiatic clam (Corbicula fluminea) or bottom-feeding fish] of the Sacramento River Basin, California, during October and November 1995. Trace elements detected included cadmium, copper, mercury, lead, and zinc. Elevated levels of cadmium, copper, and zinc in the upper Sacramento River are attributed to a mining land use, and elevated levels of zinc and lead in an urban stream, and possibly in the lower Sacramento River, are attributed to urban runoff processes. Elevated levels of mercury in streambed sediment are attributed to either past mercury mining or to the use of mercury in past gold mining operations. Mercury mining was an important land use within the Coast Ranges in the past and gold mining was an important land use of the Sierra Nevada in the past. Mercury was the only trace element found in elevated levels in the tissue of aquatic biota, and those levels also could be attributed to either mining or urban runoff. Hydrophobic organic compounds also were detected in streambed sediments and aquatic biota. The most frequently detected compounds were DDT and its breakdown products, dieldrin, oxychlordane, and toxaphene. Differences were found in the types of compounds detected at agricultural sites and the urban site. Although both types of sites had measurable concentrations of DDT or its breakdown products, the urban site also had measurable concentrations of pesticides used for household pest control. Few semivolatile compounds were detected in the streambed sediments of any site. The semivolatile compound p-cresol, a coal-tar derivative associated with road maintenance, was found in the highest concentration.

Frequency Compounded Imaging with a High-Frequency Dual Element Transducer

PubMed Central

Chang, Jin Ho; Kim, Hyung Ham; Lee, Jungwoo; Shung, K. Kirk

2014-01-01

This paper proposes a frequency compounding method to reduce speckle interferences, where a concentric annular type high-frequency dual element transducer is used to broaden the bandwidth of an imaging system. In frequency compounding methods, frequency division is carried out to obtain sub-band images containing uncorrelated speckles, which sacrifices axial resolution. Therefore, frequency compounding often deteriorates the target-detecting capability, quantified by the total signal-to-noise ratio (SNR), when the speckle’s SNR (SSNR) is not improved as much as the degraded axial resolution. However, this could be avoided if the effective bandwidth required for frequency compounding is increased. The primary goal of the proposed approach, hence, is to improve SSNR by a factor of two under the condition where axial resolution is degraded by a factor of less than two, which indicates the total SNR improvement to higher than 40% compared to that of an original image. Since the method here employs a dual element transducer operating at 20 and 40 MHz, the effective bandwidth necessary for frequency compounding becomes broadened. By dividing each spectrum of RF samples from both elements into two sub-bands, this method eventually enables four sets of the sub-band samples to contain uncorrelated speckles. This causes the axial resolution to be reduced by a factor of as low as 1.85, which means that this method would improve total SNR by at least 47 %. An in vitro experiment on an excised pig eye was performed to validate the proposed approach, and the results showed that the SSNR was improved from 2.081±0.365 in the original image to 4.206±0.635 in the final compounding image. PMID:19914674

Frequency compounded imaging with a high-frequency dual element transducer.

PubMed

Chang, Jin Ho; Kim, Hyung Ham; Lee, Jungwoo; Shung, K Kirk

2010-04-01

This paper proposes a frequency compounding method to reduce speckle interferences, where a concentric annular type high-frequency dual element transducer is used to broaden the bandwidth of an imaging system. In frequency compounding methods, frequency division is carried out to obtain sub-band images containing uncorrelated speckles, which sacrifices axial resolution. Therefore, frequency compounding often deteriorates the target-detecting capability, quantified by the total signal-to-noise ratio (SNR), when the speckle's SNR (SSNR) is not improved as much as the degraded axial resolution. However, this could be avoided if the effective bandwidth required for frequency compounding is increased. The primary goal of the proposed approach, hence, is to improve SSNR by a factor of two under the condition where axial resolution is degraded by a factor of less than two, which indicates the total SNR improvement to higher than 40% compared to that of an original image. Since the method here employs a dual element transducer operating at 20 and 40MHz, the effective bandwidth necessary for frequency compounding becomes broadened. By dividing each spectrum of RF samples from both elements into two sub-bands, this method eventually enables four sets of the sub-band samples to contain uncorrelated speckles. This causes the axial resolution to be reduced by a factor of as low as 1.85, which means that this method would improve total SNR by at least 47%. An in vitro experiment on an excised pig eye was performed to validate the proposed approach, and the results showed that the SSNR was improved from 2.081+/-0.365 in the original image to 4.206+/-0.635 in the final compounding image. Copyright 2009 Elsevier B.V. All rights reserved.

Ni/metal hydride secondary element

DOEpatents

Bauerlein, Peter

2005-04-19

A Ni/metal hydride secondary element having a positive nickel hydroxide electrode, a negative electrode having a hydrogen storage alloy, and an alkaline electrolyte, the positive electrode, provided with a three-dimensional metallic conductive structure, also contains an aluminum compound which is soluble in the electrolyte, in addition to nickel hydroxide and cobalt oxide. The aluminum compound is aluminum hydroxide and/or aluminum oxide, and the mass of the aluminum compound which is present in the positive bulk material mixture is 0.1 to 2% by weight relative to the mass of the nickel hydroxide which is present. In combination with aluminum hydroxide or aluminum oxide, the positive electrode further contains lanthanoid oxidic compounds Y.sub.2 O.sub.3, La.sub.2 O.sub.3 and Ca(OH).sub.2, as well as mixtures of these compounds.

2012-13 Operating Grants: Too Little to Offset District Budget Shortfalls. BCTF Research Report. Section V. 2012-EF-01

ERIC Educational Resources Information Center

White, Margaret

2012-01-01

The BC Ministry of Education announcement about 2012-13 operating grants estimates includes "new" funding to districts of $11.2 million for vulnerable students, $10.7 million for districts to implement elements of the Education Plan, and $21.8 million to address "districts' differing geographic circumstances." This makes for a…

Method For Growth of Crystal Surfaces and Growth of Heteroepitaxial Single Crystal Films Thereon

NASA Technical Reports Server (NTRS)

Powell, J. Anthony (Inventor); Larkin, David J. (Inventor); Neudeck, Philip G. (Inventor); Matus, Lawrence G. (Inventor)

2000-01-01

A method of growing atomically-flat surfaces and high quality low-defect crystal films of semiconductor materials and fabricating improved devices thereon is discussed. The method is also suitable for growing films heteroepitaxially on substrates that are different than the film. The method is particularly suited for growth of elemental semiconductors (such as Si), compounds of Groups III and V elements of the Periodic Table (such as GaN), and compounds and alloys of Group IV elements of the Periodic Table (such as SiC).

Two dimensional finite element thermal model of laser surface glazing for H13 tool steel

NASA Astrophysics Data System (ADS)

Kabir, I. R.; Yin, D.; Naher, S.

2016-10-01

A two dimensional (2D) transient thermal model with line-heat-source was developed by Finite Element Method (FEM) for laser surface glazing of H13 tool steel using commercial software-ANSYS 15. The geometry of the model was taken as a transverse circular cross-section of cylindrical specimen. Two different power levels (300W, 200W) were used with 0.2mm width of laser beam and 0.15ms exposure time. Temperature distribution, heating and cooling rates, and the dimensions of modified surface were analysed. The maximum temperatures achieved were 2532K (2259°C) and 1592K (1319°C) for laser power 300W and 200W respectively. The maximum cooling rates were 4.2×107 K/s for 300W and 2×107 K/s for 200W. Depths of modified zone increased with increasing laser power. From this analysis, it can be predicted that for 0.2mm beam width and 0.15ms time exposer melting temperature of H13 tool steel is achieved within 200-300W power range of laser beam in laser surface glazing.

Rational Design of Glycomimetic Compounds Targeting the Saccharomyces cerevisiae Transglycosylase Gas2.

PubMed

Delso, Ignacio; Valero-González, Jessika; Marca, Eduardo; Tejero, Tomás; Hurtado-Guerrero, Ramón; Merino, Pedro

2016-02-01

The transglycosylase Saccharomyces cerevisiae Gas2 (ScGas2) belongs to a large family of enzymes that are key players in yeast cell wall remodeling. Despite its biologic importance, no studies on the synthesis of substrate-based compounds as potential inhibitors have been reported. We have synthesized a series of docking-guided glycomimetics that were evaluated by fluorescence spectroscopy and saturation-transfer difference (STD) NMR experiments, revealing that a minimum of three glucose units linked via a β-(1,3) linkage are required for achieving molecular recognition at the binding donor site. The binding mode of our compounds is further supported by STD-NMR experiments using the active site-mutants Y107Q and Y244Q. Our results are important for both understanding of ScGas2-substrate interactions and setting up the basis for future design of glycomimetics as new antifungal agents. © 2015 John Wiley & Sons A/S.

An elemental model of retrospective revaluation without within-compound associations.

PubMed

Connor, Patrick C; Lolordo, Vincent M; Trappenberg, Thomas P

2014-03-01

When retrospective revaluation phenomena (e.g., unovershadowing: AB+, then A-, then test B) were discovered, simple elemental models were at a disadvantage because they could not explain such phenomena. Extensions of these models and novel models appealed to within-compound associations to accommodate these new data. Here, we present an elemental, neural network model of conditioning that explains retrospective revaluation apart from within-compound associations. In the model, previously paired stimuli (say, A and B, after AB+) come to activate similar ensembles of neurons, so that revaluation of one stimulus (A-) has the opposite effect on the other stimulus (B) through changes (decreases) in the strength of the inhibitory connections between neurons activated by B. The ventral striatum is discussed as a possible home for the structure and function of the present model.

Trace element, semivolatile organic, and chlorinated organic compound concentrations in bed sediments of selected streams at Fort Gordon, Georgia, February-April 2010

USGS Publications Warehouse

Thomas, Lashun K.; Journey, Celeste A.; Stringfield, Whitney J.; Clark, Jimmy M.; Bradley, Paul M.; Wellborn, John B.; Ratliff, Hagan; Abrahamsen, Thomas A.

2011-01-01

A spatial survey of streams was conducted from February to April 2010 to assess the concentrations of major ions, selected trace elements, semivolatile organic compounds, organochlorine pesticides, and polychlorinated biphenyls associated with the bed sediments of surface waters at Fort Gordon military installation near Augusta, Georgia. This investigation expanded a previous study conducted in May 1998 by the U.S. Geological Survey, in cooperation with the U.S. Department of the Army Environmental and Natural Resources Management Office of the U.S. Army Signal Center and Fort Gordon, that evaluated the streambed sediment quality of selected surface waters at Fort Gordon. The data presented in this report are intended to help evaluate bed sediment quality in relation to guidelines for the protection of aquatic life, and identify temporal trends in trace elements and semivolatile organic compound concentrations at streambed sites previously sampled. Concentrations of 34 major ions and trace elements and 102 semivolatile organic, organochlorine pesticide, and polychlorinated biphenyl compounds were determined in the fine-grained fraction of bed sediment samples collected from 13 of the original 29 sites in the previous study, and 22 additional sites at Fort Gordon. Three of the sites were considered reference sites as they were presumed to be located away from potential sources of contaminants and were selected to represent surface waters flowing onto the fort, and the remaining 32 nonreference sites were presumed to be located within the contamination area at the fort. Temporal trends in trace elements and semivolatile organic compound concentrations also were evaluated at 13 of the 32 nonreference sites to provide an assessment of the variability in the number of detections and concentrations of constituents in bed sediment associated with potential sources, accumulation, and attenuation processes. Major ion and trace element concentrations in fine-grained bed sediment samples from most nonreference sites exceeded concentrations in samples from reference sites at Fort Gordon. Bed sediments from one of the nonreference sites sampled contained the highest concentrations of copper and lead with elevated levels of zinc and chromium relative to reference sites. The percentage change of major ions, trace elements, and total organic carbon that had been detected at sites previously sampled in May 1998 and current bed sediment sites ranged from -4 to 8 percent with an average percentage change of less than 1 percent. Concentrations of major ions and trace elements in bed sediments exceeded probable effect levels for aquatic life (based on the amphipod Hyalella azteca) established by the U.S. Environmental Protection Agency at 46 and 69 percent of the current and previously sampled locations, respectively. The greatest frequency of exceedances for major ions and trace elements in bed sediments was observed for lead. Concentrations of semivolatile organic compounds, organochlorine pesticides, and polychlorinated biphenyls were detected in bed sediment samples at 94 percent of the sites currently sampled. Detections of these organic compounds were reported with greater frequency in bed sediments at upstream sampling locations, when compared to downstream locations. The greatest number of detections of these compounds was reported for bed sediment samples collected from two creeks above a lake. The percentage change of semivolatile organic compounds detected at previously sampled and current bed sediment sites ranged from -68 to 100 percent with the greatest percentage increase reported for one of the creeks above the lake. Concentrations of semivolatile organic compounds and polychlorinated biphenyls in bed sediments exceeded aquatic life criteria established by the U.S. Environmental Protection Agency at three sites. Contaminant compounds exceeding aquatic life criteria included fluoranthene, phenanthrene, anthracene, benzo(a)anthracene

Petrogenesis of an Early Cretaceous lamprophyre dike from Kyoto Prefecture, Japan: Implications for the generation of high-Nb basalt magmas in subduction zones

NASA Astrophysics Data System (ADS)

Imaoka, Teruyoshi; Kawabata, Hiroshi; Nagashima, Mariko; Nakashima, Kazuo; Kamei, Atsushi; Yagi, Koshi; Itaya, Tetsumaru; Kiji, Michio

2017-10-01

We studied a 107 Ma vogesite (a kind of lamprophyre with alkali-feldspar > plagioclase, and hornblende ± clinopyroxene ± biotite) dike in the Kinki district of the Tamba Belt, Kyoto Prefecture, SW Japan, using petrography, mineralogy, K-Ar ages, and geochemistry to evaluate its petrogenesis and tectonic implications. The dike has the very specific geochemical characteristics of a primitive high-Mg basalt, with 48-50 wt.% SiO2 (anhydrous basis), high values of Mg# (67.3-72.4), and high Cr ( 431 ppm), Ni ( 371 ppm), and Co ( 52 ppm) contents. The vogesite is alkaline and ne-normative with high concentrations of large ion lithophile elements (LILEs: Sr = 1270-2200 ppm, Ba = 3910-26,900 ppm), light rare earth elements (LREEs) [(La/Yb)n = 58-62), and high field strength elements (HFSEs: TiO2 = 1.5-1.8 wt.%, Nb = 24-33 ppm, Zr = 171-251 ppm), and the vogesite can be classified as a high-Nb basalt (HNB). The vogesite was formed by the lowest degree of melting of metasomatized mantle in the garnet stability field, and it may also have been formed at higher melting pressures than other Kyoto lamprophyres. The low degree of melting is the primary reason for the high-Nb content of the vogesite, not mantle metasomatism, and a higher degree of melting would have changed the primary magma composition from a HNB to a Nb-enriched basalt (NEB). The vogesite magma was contaminated at an early stage of its development by melts derived from sediments drawn down a subduction zone, as indicated by some geochemical indices and the initial Nd isotope ratios. The vogesite exhibits positive correlations between εSr(107 Ma) values (5.4-50.9) and its high Ba and Sr concentrations, and it has a limited range of εNd(107 Ma) values (+ 0.97 to + 2.4). The fact that the vogesite contains centimeter-sized xenoliths of chert, which are composed of polycrystalline quartz, calcite, barite, pyrite, and magnetite, indicates that the barium contamination took place during the ascent of the lamprophyric magma through the upper crust. The episode of magmatism at c. 107 Ma extended regionally from the Kinki district, through the Chugoku district and North Kyushu in SW Japan, to Korea as a result of slab roll-back at the eastern margin of Asia.

Basic distinctions between cold- and hot-fusion reactions in the synthesis of superheavy elements

NASA Astrophysics Data System (ADS)

Nasirov, A. K.; Muminov, A. I.; Giardina, G.; Mandaglio, G.

2014-07-01

Superheavy elements (SHE) of charge number in the range of Z = 106-112 were synthesized in so-called cold-fusion reactions. The smallness of the excitation energy of compound nuclei is the main advantage of cold-fusion reactions. However, the synthesis of SHEs of charge number in the region of Z ≥ 112 is strongly complicated in cold-fusion reactions by a sharp decrease in the cross section of a compound nucleus formation in the entrance channel because of superiority of quasifission in the competition with complete fusion. Two favorable circumstances contributed to the success of the experiments aimed at the synthesis of the Z = 113-118 elements and performed at the Laboratory of Nuclear Reactions at the Joint Institute for Nuclear Research: large cross sections for the production of a compound nucleus, which are characteristic of hot-fusion reactions, and an increase in the fission barrier for nuclei toward the stability island. The factor that complicates the formation of a compound nucleus in cold-fusion reactions is discussed.

Evaluation of organic compounds and trace elements in Amazon Creek Basin, Oregon, September 1990

USGS Publications Warehouse

Rinella, F.A.

1993-01-01

Water and bottom sediment were collected from Amazon Creek, Oregon during a summer low-flow condition and analyzed for different classes of organic compounds, including many from the U.S. Environmental Protection Agency's priority pollutant list. Bottom sediment also was analyzed for trace elements typically associated with urban runoff. Trace-element concentrations in the less than 63 micrometer fraction of Amazon Creek bottom-sediment samples were compared with baseline concentrations (expected 95 percent confidence range) for soils from the Western United States and with concen- trations found in bottom sediment from the Willamette River Basin. Total-digestion concentrations of antimony, arsenic, cadmium, chromium, cobalt, copper, lead, manganese, mercury, nickel, silver, titanium, and zinc were enriched at some or all sites sampled. Whole-water samples from some sites contained concentrations of several chlorophenoxy-acid herbicides, the organophosphorus insecticide diazinon, and several semivolatile priority pollutants. Classes of compounds not detected in whole-water samples included carbamate insecticides, triazine and other nitrogen-containing herbicides, and purgeable organic compounds. Bottom-sediment samples contained many organochlorine compounds, including chlordane, DDT plus metabolites, dieldrin, endrin, heptachlor epoxide (a metabolite of heptachlor), and PCBs at some or all sites sampled. Twenty-four of 54 semivolatile compounds were detected in bottom- sediment samples at some or all sites sampled.

Hazard Assessment of High-Nitrogen Explosive Compounds: A Novel In Vitro Multi-Cellular Approach

DTIC Science & Technology

2016-03-21

L ( fish ) and 13.7 to 24.2 mg/L (cladocerans). A similar study by Liang et al. (107) investigated the inhibitory effects of DNAN and two of its...54). More specifically, the authors of the study demonstrated that dinitrophenol led to increased kidney oxygen consumption possibly causing...risk of adverse health effects in munition factory workers and the general population through various occupational and environmental exposure

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

PubMed Central

Kind, Tobias; Fiehn, Oliver

2007-01-01

Background Structure elucidation of unknown small molecules by mass spectrometry is a challenge despite advances in instrumentation. The first crucial step is to obtain correct elemental compositions. In order to automatically constrain the thousands of possible candidate structures, rules need to be developed to select the most likely and chemically correct molecular formulas. Results An algorithm for filtering molecular formulas is derived from seven heuristic rules: (1) restrictions for the number of elements, (2) LEWIS and SENIOR chemical rules, (3) isotopic patterns, (4) hydrogen/carbon ratios, (5) element ratio of nitrogen, oxygen, phosphor, and sulphur versus carbon, (6) element ratio probabilities and (7) presence of trimethylsilylated compounds. Formulas are ranked according to their isotopic patterns and subsequently constrained by presence in public chemical databases. The seven rules were developed on 68,237 existing molecular formulas and were validated in four experiments. First, 432,968 formulas covering five million PubChem database entries were checked for consistency. Only 0.6% of these compounds did not pass all rules. Next, the rules were shown to effectively reducing the complement all eight billion theoretically possible C, H, N, S, O, P-formulas up to 2000 Da to only 623 million most probable elemental compositions. Thirdly 6,000 pharmaceutical, toxic and natural compounds were selected from DrugBank, TSCA and DNP databases. The correct formulas were retrieved as top hit at 80–99% probability when assuming data acquisition with complete resolution of unique compounds and 5% absolute isotope ratio deviation and 3 ppm mass accuracy. Last, some exemplary compounds were analyzed by Fourier transform ion cyclotron resonance mass spectrometry and by gas chromatography-time of flight mass spectrometry. In each case, the correct formula was ranked as top hit when combining the seven rules with database queries. Conclusion The seven rules enable an automatic exclusion of molecular formulas which are either wrong or which contain unlikely high or low number of elements. The correct molecular formula is assigned with a probability of 98% if the formula exists in a compound database. For truly novel compounds that are not present in databases, the correct formula is found in the first three hits with a probability of 65–81%. Corresponding software and supplemental data are available for downloads from the authors' website. PMID:17389044

Method for combined removal of mercury and nitrogen oxides from off-gas streams

DOEpatents

Mendelsohn, Marshall H [Downers Grove, IL; Livengood, C David [Lockport, IL

2006-10-10

A method for removing elemental Hg and nitric oxide simultaneously from a gas stream is provided whereby the gas stream is reacted with gaseous chlorinated compound to convert the elemental mercury to soluble mercury compounds and the nitric oxide to nitrogen dioxide. The method works to remove either mercury or nitrogen oxide in the absence or presence of each other.

Aspergillus infection monitored by multimodal imaging in a rat model.

PubMed

Pluhacek, Tomas; Petrik, Milos; Luptakova, Dominika; Benada, Oldrich; Palyzova, Andrea; Lemr, Karel; Havlicek, Vladimir

2016-06-01

Although myriads of experimental approaches have been published in the field of fungal infection diagnostics, interestingly, in 21st century there is no satisfactory early noninvasive tool for Aspergillus diagnostics with good sensitivity and specificity. In this work, we for the first time described the fungal burden in rat lungs by multimodal imaging approach. The Aspergillus infection was monitored by positron emission tomography and light microscopy employing modified Grocott's methenamine silver staining and eosin counterstaining. Laser ablation inductively coupled plasma mass spectrometry imaging has revealed a dramatic iron increase in fungi-affected areas, which can be presumably attributed to microbial siderophores. Quantitative elemental data were inferred from matrix-matched standards prepared from rat lungs. The iron, silver, and gold MS images collected with variable laser foci revealed that particularly silver or gold can be used as excellent elements useful for sensitively tracking the Aspergillus infection. The limit of detection was determined for both (107) Ag and (197) Au as 0.03 μg/g (5 μm laser focus). The selective incorporation of (107) Ag and (197) Au into fungal cell bodies and low background noise from both elements were confirmed by energy dispersive X-ray scattering utilizing the submicron lateral resolving power of scanning electron microscopy. The low limits of detection and quantitation of both gold and silver make ICP-MS imaging monitoring a viable alternative to standard optical evaluation used in current clinical settings. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

New members of the A2 M ‧ M2″ structure family (A=Ca, Sr, Yb, La; M ‧ = In , Sn , Pb; M ″ = Si , Ge)

NASA Astrophysics Data System (ADS)

Jehle, Michael; Dürr, Ines; Fink, Saskia; Lang, Britta; Langenmaier, Michael; Steckhan, Julia; Röhr, Caroline

2015-01-01

The new mixed tetrelides Sr2PbGe2 and Yb2SnGe2, several mixed Ca/Sr (AII) germanides A2II (Sn, Pb)Ge2 and two polymorphs of La2 InSi2 represent new members of the general structure family of ternary alkaline-earth/lanthanoid main group silicides/germanides A2 M ‧ M2″ (M ‧ = In , Sn , Pb ; M ″ = Si , Ge). All compounds were synthesized from melts of the elements and their crystal structures have been determined by means of single crystal X-ray diffraction. Sr2PbGe2 (Cmmm, a=402.36(11), b=1542.3(4), c=463.27(10) pm) crystallizes with the Mn2AlB2 -type structure. In exhibiting infinite planar Ge zig-zag chains, it represents one border of the compound series. The other borderline case, where only [Ge2 ] dumbbells are left as Ge building units, is represented by the Ca/Yb tin germanides Ca2SnGe2 and Yb2SnGe2 (Mo2FeB2 -type; P4/mbm, a=748.58(13)/740.27(7), c=445.59(8)/435.26(5) pm). In between these two border structures compounds with variable Si/Ge chain lengths could be obtained by varying the averaged size of the AII cations: Ca0.45Sr1.55PbGe2 (new structure type; Pbam, a=791.64(5), b=2311.2(2), c=458.53(3) pm) contains planar six-membered chain segments [Ge6 ]. Tetrameric pieces [Ge4 ] are the conspicuous structure elements in Ca1.16Sr0.84SnGe2 and La2 InSi2 (La2InNi2 -type; Pbam, a=781.01(2)/762.01(13), b=1477.95(3)/1494.38(6), c=457.004(9)/442.1(3) pm). The tetragonal form of 'La2 In Si2‧ (exact composition: La2In1.07Si1.93, P4/mbm, a=1309.11(12), c=443.32(4) pm) also crystallizes in a new structure type, containing only [Si3 ] trimers as cutouts of the planar chains. In all structures the Si/Ge zig-zag chains/chain segments are connected by In/Sn/Pb atoms to form planar M layers, which are separated by pure A layers. Band structure calculations within the FP-LAPW DFT approach together with the Zintl formalism, extended by the presence of hypervalent bonding of the heavier M ‧ elements, give insight into the chemical bonding of this series of p-block metallides. An analysis of the band structure for the border phases Sr2PbGe2 and Ca2SnGe2 shows the considerable π bonding contributions within the Ge building units, which also become apparent from the short Ge-Ge bond lengths.

The preparation of <100 particles per trial having the same mole fraction of 12 inorganic compounds at diameters of 6.8, 3.8, or 2.6 [mu]m followed by their deposition onto human lung cells (A549) with measurement of the relative downstream differential expression of ICAM-1

NASA Astrophysics Data System (ADS)

Eleghasim, Ndukauba M.; Haddrell, Allen E.; van Eeden, Stephen; Agnes, George R.

2006-12-01

The characterization of particulate matter suspended in the troposphere (PM10) based on size is an important basis for assessing the extent of their adverse effects on human health. The relevance of such assessments is anticipated to be significantly improved through the continued development of tools that can identify the chemical components within individual ambient particles, and the injury that they cause. We use recently reported methodology to create mimics of ambient particle types of known size and chemical composition that are levitated within an ac trap. The ac trap uses electric fields to levitate the particles that have a given mass and net elementary charge, and as such the ac trap is a mass-to-charge filter. The ac trap was used to levitate populations of particles where the size of particles in any given population could be altered. The levitated particles are delivered direct from the ac trap to human lung cells (A549), in vitro, with downstream measurement of differential expression of intercellular adhesion molecule (ICAM)-1 and counting of the number of particles actually delivered to the culture using an optical microscope. In this study, the chemical composition of the ambient particle mimics was restricted to inorganic compounds whose relative abundance was purposely designed to mimic the average abundance in Environmental Health Center-93 (EHC-93) particles. The sizes of the multilelement particle types prepared were 6.8 +/- 0.5, 3.8 +/- 0.3, 2.6 +/- 0.2 (mean +/- S.D.). Particles of either elemental carbon, or elemental carbon containing glycerol were used as control particle types. In any given experiment, a known number of particles, but always <100, of a given size, were deposited onto a small region of an A549 cell culture. Following an 18-h incubation period and anti-body labeling of ICAM-1, the fluorescence emission from a 1.07 mm2 area of the cell culture centered at the site of particle deposition was acquired. The relative differential expression of ICAM-1 was greatest for multielement particle types having diameters of 2.6 +/- 0.2 [mu]m for which as few as ~15 particles deposited onto the culture resulted in maximal ICAM-1 expression, whereas with multielement particle types having diameters of 6.8 +/- 0.5 [mu]m, it was necessary to deposit >50 particles in order to effect comparable ICAM-1 expression. This data set indicates that for multi-element particle types comprised of the same mole fraction of inorganic compounds and of sizes within the course fraction of PM10, the 2.6 [mu]m particle type was the most potent with respect to effecting differential expression of ICAM-1.

Synthesis and Thermoelectric Properties of Charge-Compensated SyPdxCo4-xSb12 Skutterudites.

PubMed

Wan, Shun; Qiu, Pengfei; Huang, Xiangyang; Song, Qingfeng; Bai, Shengqiang; Shi, Xun; Chen, Lidong

2018-01-10

Recently, the electronegative elements (e.g., S, Se, Cl, and Br) filled skutterudites have attracted great attention in thermoelectric community. Via doping of some electron donors at the Sb sites, these electronegative elements can be filled into the voids of CoSb 3 forming thermodynamically stable compounds, which greatly extends the scope of filled skutterudites. In this study, we show that doping appropriate elements at the Co sites can also stabilize the electronegative elements in the voids of CoSb 3 . A series of S y Pd x Co 4-x Sb 12 compounds were successfully fabricated by a traditional solid state reaction method combined with a spark plasma sintering technique. The phase composition and electrical and thermal transport properties were systematically characterized, and the related mechanisms were deeply discussed. It is found that the charge compensation between Pd doping and S filling is the main reason for the formation of thermodynamically stable S y Pd x Co 4-x Sb 12 compounds. Filling S element in the voids of CoSb 3 provides additional holes to reduce the carrier concentration while scarcely affecting the carrier mobility. However, doping Pd at the Co sites not only changes the carrier scattering mechanism but also deteriorates the carrier mobility. Low lattice thermal conductivities are observed in these S y Pd x Co 4-x Sb 12 compounds, which are attributed to the low resonant frequency of the S element. Finally, a maximal figure of merit of 0.85 is obtained for S 0.05 Pd 0.25 Co 3.75 Sb 12 at 700 K.

Research into acetone removal from air by biofiltration using a biofilter with straight structure plates

PubMed Central

Baltrėnas, Pranas; Zagorskis, Alvydas; Misevičius, Antonas

2015-01-01

The biological air treatment method is based on the biological destruction of organic compounds using certain cultures of microorganisms. This method is simple and may be applied in many branches of industry. The main element of biological air treatment devices is a filter charge. Tests were carried out using a new-generation laboratory air purifier with a plate structure. This purifier is called biofilter. The biofilter has a special system for packing material humidification which does not require additional energy inputs. In order to extend the packing material's durability, it was composed of thermally treated birch fibre. Pollutant (acetone) biodegradation occurred on thermally treated wood fibre in this research. According to the performed tests and the received results, the process of biodestruction was highly efficient. When acetone was passed through biofilter's packing material at 0.08 m s−1 rate, the efficiency of the biofiltration process was from 70% up to 90%. The species of bacteria capable of removing acetone vapour from the air, i.e. Bacillus (B. cereus, B. subtilis), Pseudomonas (P. aeruginosa, P. putida), Stapylococcus (S. aureus) and Rhodococcus sp., was identified in this study during the process of biofiltration. Their amount in the biological packing material changed from 1.6 × 107 to 3.7 × 1011 CFU g−1. PMID:26019659

Biodegradation of Organofluorine Compounds

DTIC Science & Technology

2016-02-01

BIODEGRADATION OF ORGANOFLUORINE COMPOUNDS ECBC-TR-1347 Melissa M. Dixon Steve P. Harvey RESEARCH AND...2011 4. TITLE AND SUBTITLE Biodegradation of Organofluorine Compounds 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR...compounds as sole carbon sources. This work will be continued in future studies. 15. SUBJECT TERMS Organofluorine Biodegradation Defluorination

Synthesis of pyrimidin-2-one nucleosides as acid-stable inhibitors of cytidine deaminase.

PubMed

Kim, C H; Marquez, V E; Mao, D T; Haines, D R; McCormack, J J

1986-08-01

One of the problems encountered in the use of tetrahydrouridine (THU, 2) and saturated 2-oxo-1,3-diazepine nucleosides as orally administered cytidine deaminase (CDA) inhibitors is their acid instability. Under acid conditions these compounds are rapidly converted into inactive ribopyranoside forms. A solution this problem was sought by functionalizing the acid-stable but less potent CDA inhibitor 1-beta-D-ribofuranosyl-2(1H)-pyrimidinone (1) with the hope of increasing its potency to the level achieved with THU. The selection of the hydroxymethyl substituent at C-4, which led to the synthesis of 4-(hydroxymethyl)-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone (10), 3,4-dihydro-4-(hydroxymethyl)-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone (7), and 3,4,5,6-tetrahydro-4-(dihydroxymethyl)-1-beta-D-ribofuranosyl-2(1H)-p yrimidinone (28) was based on the transition-state (TS) concept. The key intermediate precursor, 4-[(benzoyloxy)methyl]-1-(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)-2(H) -pyrimidinone (24), was obtained via the classical Hilbert-Johnson reaction between 2-methoxy-4-[(benzoyloxy)methyl]pyrimidine (20) and 2,3,5-tri-O-benzoyl-1-D-ribofuranosyl bromide (21). Deprotection of 24 afforded compound 10, while its sodium borohydride reduction products afforded compounds 7 and 28 after removal of the blocking groups. Syntheses of 3,4-dihydro-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone (9) and 3,6-dihydro-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone (8), which lack the hydroxymethyl substituent, was accomplished in a similar fashion. The new compounds bearing the hydroxymethyl substituent were more acid stable than THU, and their CDA inhibitory potency, expressed in terms of Ki values, spanned from 10(-4) to 10(-7) M in a manner consistent with the TS theory. Compound 7, in particular, was superior to its parent 1 and equipotent to THU (Ki = 4 X 10(-7) M) when examined against mouse kidney CDA. The superior acid stability of this compound coupled to its potent inhibitory properties against CDA should provide a means of testing oral combinations of rapidly deaminated drugs, viz. ara-C, without the complications associated with the acid instability of THU.

Synthesis of two-dimensional TlxBi1−x compounds and Archimedean encoding of their atomic structure

PubMed Central

Gruznev, Dimitry V.; Bondarenko, Leonid V.; Matetskiy, Andrey V.; Mihalyuk, Alexey N.; Tupchaya, Alexandra Y.; Utas, Oleg A.; Eremeev, Sergey V.; Hsing, Cheng-Rong; Chou, Jyh-Pin; Wei, Ching-Ming; Zotov, Andrey V.; Saranin, Alexander A.

2016-01-01

Crystalline atomic layers on solid surfaces are composed of a single building block, unit cell, that is copied and stacked together to form the entire two-dimensional crystal structure. However, it appears that this is not an unique possibility. We report here on synthesis and characterization of the one-atomic-layer-thick TlxBi1−x compounds which display quite a different arrangement. It represents a quasi-periodic tiling structures that are built by a set of tiling elements as building blocks. Though the layer is lacking strict periodicity, it shows up as an ideally-packed tiling of basic elements without any skips or halting. The two-dimensional TlxBi1−x compounds were formed by depositing Bi onto the Tl-covered Si(111) surface where Bi atoms substitute appropriate amount of Tl atoms. Atomic structure of each tiling element as well as arrangement of TlxBi1−x compounds were established in a detail. Electronic properties and spin texture of the selected compounds having periodic structures were characterized. The shown example demonstrates possibility for the formation of the exotic low-dimensional materials via unusual growth mechanisms. PMID:26781340

Development of an Alternative Treatment Scheme for Sr/TRU Removal: Permanganate Treatment of AN-107 Waste

DOE Office of Scientific and Technical Information (OSTI.GOV)

RT Hallen; SA Bryan; FV Hoopes

A number of Hanford tanks received waste containing organic complexants, which increase the volubility of Sr-90 and transuranic (TRU) elements. Wastes from these tanks require additional pretreatment to remove Sr-90 and TRU for immobilization as low activity waste (Waste Envelope C). The baseline pretreatment process for Sr/TRU removal was isotopic exchange and precipitation with added strontium and iron. However, studies at both Battelle and Savannah River Technology Center (SRTC) have shown that the Sr/Fe precipitates were very difficult to filter. This was a result of the formation of poor filtering iron solids. An alternate treatment technology was needed for Sr/TRUmore » removal. Battelle had demonstrated that permanganate treatment was effective for decontaminating waste samples from Hanford Tank SY-101 and proposed that permanganate be examined as an alternative Sr/TRU removal scheme for complexant-containing tank wastes such as AW107. Battelle conducted preliminary small-scale experiments to determine the effectiveness of permanganate treatment with AN-107 waste samples that had been archived at Battelle from earlier studies. Three series of experiments were performed to evaluate conditions that provided adequate Sr/TRU decontamination using permanganate treatment. The final series included experiments with actual AN-107 diluted feed that had been obtained specifically for BNFL process testing. Conditions that provided adequate Sr/TRU decontamination were identified. A free hydroxide concentration of 0.5M provided adequate decontamination with added Sr of 0.05M and permanganate of 0.03M for archived AN-107. The best results were obtained when reagents were added in the sequence Sr followed by permanganate with the waste at ambient temperature. The reaction conditions for Sr/TRU removal will be further evaluated with a 1-L batch of archived AN-107, which will provide a large enough volume of waste to conduct crossflow filtration studies (Hallen et al. 2000a).« less

Isotope-abundance variations and atomic weights of selected elements: 2016 (IUPAC Technical Report)

USGS Publications Warehouse

Coplen, Tyler B.; Shrestha, Yesha

2016-01-01

There are 63 chemical elements that have two or more isotopes that are used to determine their standard atomic weights. The isotopic abundances and atomic weights of these elements can vary in normal materials due to physical and chemical fractionation processes (not due to radioactive decay). These variations are well known for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium), and the standard atomic weight of each of these elements is given by IUPAC as an interval with lower and upper bounds. Graphical plots of selected materials and compounds of each of these elements have been published previously. Herein and at the URL http://dx.doi.org/10.5066/F7GF0RN2, we provide isotopic abundances, isotope-delta values, and atomic weights for each of the upper and lower bounds of these materials and compounds.

Low-valent group 14 element hydride chemistry: towards catalysis.

PubMed

Hadlington, Terrance J; Driess, Matthias; Jones, Cameron

2018-06-05

The chemistry of group 14 element(ii) hydride complexes has rapidly expanded since the first stable example of such a compound was reported in 2000. Since that time it has become apparent that these systems display remarkable reactivity patterns, in some cases mimicking those of late transition-metal (TM) hydride compounds. This is especially so for the hydroelementation of unsaturated organic substrates. Recently, this aspect of their reactivity has been extended to the use of group 14 element(ii) hydrides as efficient, "TM-like" catalysts in organic synthesis. This review will detail how the chemistry of these hydride compounds has advanced since their early development. Throughout, there is a focus on the importance of ligand effects in these systems, and how ligand design can greatly modify a coordinated complex's electronic structure, reactivity, and catalytic efficiency.

Preparation of Mo-Re-C samples containing Mo{sub 7}Re{sub 13}C with the β-Mn-type structure by solid state reaction of planetary-ball-milled powder mixtures of Mo, Re and C, and their crystal structures and superconductivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oh-ishi, Katsuyoshi, E-mail: oh-ishi@kc.chuo-u.ac.jp; Nagumo, Kenta; Tateishi, Kazuya

Mo-Re-C compounds containing Mo{sub 7}Re{sub 13}C with the β-Mn structure were synthesized with high-melting-temperature metals Mo, Re, and C powders using a conventional solid state method with a planetary ball milling machine instead of the arc melting method. Use of the ball milling machine was necessary to obtain Mo{sub 7}Re{sub 13}C with the β-Mn structure using the solid state method. Almost single-phase Mo{sub 7}Re{sub 13}C with a trace of impurity were obtained using the synthesis method. By XRF and lattice parameter measurements on the samples, Fe element existed in the compound synthesized using the planetary ball milling machine with amore » pot and balls made of steel, though Fe element was not detected in the compound synthesized using a pot and balls made of tungsten carbide. The former compound containg the Fe atom did not show superconductivity but the latter compound without the Fe atom showed superconductivity at 6.1 K. - Graphical abstract: Temperature dependence of the magnetic susceptibility measured under 10 Oe for the superconducting PBM-T samples without Fe element and non-superconducting PBM-S with Fe element. The inset is the enlarged view of the data for the PBM-S sample.« less

Coast Guard Deepwater Program: Background, Oversight Issues, and Options for Congress

DTIC Science & Technology

2007-06-22

PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e . TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES...had been performed by Integrated Coast Guard Systems (ICGS) — an industry team led by Lockheed Martin and Northrop Grumman Ship Systems ( NGSS ). On...98 Appendix E. NGSS Testimony . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107 May 17, 2007, Testimony

Photoeffect cross sections of some rare-earth elements at 145.4 keV

NASA Astrophysics Data System (ADS)

Umesh, T. K.; Ranganathaiah, C.; Sanjeevaiah, B.

1985-08-01

Total attenuation cross sections in the elements La, Ce, Pr, Nd, Sm, Gd, Dy, Ho, and Er were derived from the measured total cross sections of their simple oxide compounds, by employing the mixture rule at 145.4-keV photon energy. The compound cross sections have been measured by performing transmission experiments in a good geometry setup. From the derived total cross sections of elements, photoeffect cross sections have been obtained by subtracting the theoretical scattering cross sections. A good agreement is observed between the present data of photoeffect cross sections and Scofield's theoretical data.

Synthesis, pH dependent photometric and electrochemical investigation, redox mechanism and biological applications of novel Schiff base and its metallic derivatives

NASA Astrophysics Data System (ADS)

Rauf, Abdur; Shah, Afzal; Khan, Abdul Aziz; Shah, Aamir Hassan; Abbasi, Rashda; Qureshi, Irfan Zia; Ali, Saqib

2017-04-01

A novel Schiff base, 1-((2, 4-dimethylphenylimino)methyl)naphthalen-2-ol abbreviated as (HL) and its four metallic complexes were synthesized and confirmed by 1H and 13C NMR, FTIR, TGA and UV-Visible spectroscopy. Schiff base was also characterized by X-ray analysis. The photometric and electrochemical responses of all the synthesized compounds were investigated in a wide pH range. Structures of the compounds were optimized computationally for the evaluation of different physico-chemical parameters. On the basis of electrochemical results the redox mechanistic pathways of the compounds were proposed. The cytotoxicity analysis on Hela cells revealed that HL and its complexes inhibit cell growth as revealed from their IC50 values (HL):106.7 μM, (L2VO): 40.66 μM, (L2Sn): 5.92 μM, (L2Zn): 42.82 and (L2Co): 107.68 μM. The compounds were tested for anti-diabetic, triglyceride, cholesterol, anti-microbial, anti-fungal and enzyme inhibition activities. The results revealed that HL and its complexes are promising new therapeutic options as these compounds exhibit strong activity against cancer cells, diabetics, fungal and microbial inhibition.

Organochlorine compounds and trace elements in fish tissue and bed sediments in the lower Snake River basin, Idaho and Oregon

USGS Publications Warehouse

Clark, Gregory M.; Maret, Terry R.

1998-01-01

Fish-tissue and bed-sediment samples were collected to determine the occurrence and distribution of organochlorine compounds and trace elements in the lower Snake River Basin. Whole-body composite samples of suckers and carp from seven sites were analyzed for organochlorine compounds; liver samples were analyzed for trace elements. Fillets from selected sportfish were analyzed for organochlorine compounds and trace elements. Bed-sediment samples from three sites were analyzed for organochlorine compounds and trace elements. Twelve different organochlorine compounds were detected in 14 fish-tissue samples. All fish-tissue samples contained DDT or its metabolites. Concentrations of total DDT ranged from 11 micrograms per kilogram wet weight in fillets of yellow perch from C.J. Strike Reservoir to 3,633 micrograms per kilogram wet weight in a whole-body sample of carp from Brownlee Reservoir at Burnt River. Total DDT concentrations in whole-body samples of sucker and carp from the Snake River at C.J. Strike Reservoir, Snake River at Swan Falls, Snake River at Nyssa, and Brownlee Reservoir at Burnt River exceeded criteria established for the protection of fish-eating wildlife. Total PCB concentrations in a whole-body sample of carp from Brownlee Reservoir at Burnt River also exceeded fish-eating wildlife criteria. Concentrations of organochlorine compounds in whole-body samples, in general, were larger than concentrations in sportfish fillets. However, concentrations of dieldrin and total DDT in fillets of channel catfish from the Snake River at Nyssa and Brownlee Reservoir at Burnt River, and concentrations of total DDT in fillets of smallmouth bass and white crappie from Brownlee Reservoir at Burnt River exceeded a cancer risk screening value of 10-6 established by the U.S. Environmental Protection Agency. Concentrations of organochlorine compounds in bed sediment were smaller than concentrations in fish tissue. Concentrations of p,p'DDE, the only compound detected in all three bed-sediment samples, ranged from 1.1 micrograms per kilogram dry weight in C.J. Strike Reservoir to 11 micrograms per kilogram dry weight in Brownlee Reservoir at Burnt River. Data from this study, compared with data collected in the upper Snake River Basin from 1992 to 1994, indicates that, in general, organochlorine concentrations in fish tissue and bed sediment increased from the headwaters of the Snake River in Wyoming downstream to Brownlee Reservoir. The largest trace-element concentrations in fish tissue were in liver samples from carp from Brownlee Reservoir at Burnt River and suckers from the Boise River near Twin Springs. Concentrations of most trace elements were larger in livers than in the sport- fish fillets. However, mercury concentrations were generally larger in the sportfish fillets; they ranged from 0.08 microgram per gram wet weight in yellow perch from C.J. Strike Reservoir to 0.32 microgram per gram wet weight in channel catfish from Brownlee Reservoir at Burnt River. None of the trace-element concentrations in fillets exceeded median international standards or U.S. Food and Drug Administration action levels. Large trace-element concentrations in the upper Snake River Basin were reported in liver samples from suckers from headwater streams, probably a result of historical mining and weathering of metal-rich rocks. Concentrations of most trace elements in the bed-sediment samples were largest in Brownlee Reservoir at Mountain Man Lodge. Concentrations of arsenic, cadmium, chromium, copper, nickel, and zinc in bed sediment from the Mountain Man Lodge site exceeded either the threshold effect level or probable effect level established by the Canadian Government for the protection of benthic life. Arsenic, chromium, copper, and nickel concentrations in bed sediment from Brownlee Reservoir at Burnt River and chromium, copper, and nickel in bed sediment from C.J. Strike Reservoir also exceeded the threshold effect level.

Organic Compounds and Trace Elements in Fish Tissue and Bed Sediment in the Delaware River Basin, New Jersey, Pennsylvania, New York, and Delaware, 1998-2000

USGS Publications Warehouse

Romanok, Kristin M.; Fischer, Jeffrey M.; Riva-Murray, Karen; Brightbill, Robin; Bilger, Michael

2006-01-01

As part of the National Water-Quality Assessment (NAWQA) program activities in the Delaware River Basin (DELR), samples of fish tissue from 21 sites and samples of bed sediment from 35 sites were analyzed for a suite of organic compounds and trace elements. The sampling sites, within subbasins ranging in size from 11 to 600 square miles, were selected to represent 5 main land-use categories in the DELR -forest, low-agricultural, agricultural, urban, and mixed use. Samples of both fish tissue and bed sediment were also collected from 4 'large-river' sites that represented drainage areas ranging from 1,300 to 6,800 square miles, areas in which the land is used for a variety of purposes. One or more of the organochlorine compounds-DDT and chlordane metabolites, polychlorinated biphenyls (total PCBs), and dieldrin- were detected frequently in samples collected over a wide geographic area. One or more of these compounds were detected in fish-tissue samples from 92 percent of the sites and in bed-sediment samples from 82 percent of the sites. Concentrations of total DDT, total chlordanes, total PCBs, and dieldrin in whole white suckers and in bed sediment were significantly related to urban/industrial basin characteristics, such as percentage of urban land use and population density. Semi-volatile organic compounds (SVOCs)-total polycyclic aromatic hydrocarbons (PAHs), total phthalates, and phenols- were detected frequently in bed-sediment samples. All three types of SVOCs were detected in samples from at least one site in each land-use category. The highest detection rates and concentrations typically were in samples from sites in the urban and mixed land-use categories, as well as from the large-river sites. Concentrations of total PAHs and total phthalates in bed-sediment samples were found to be statistically related to percentages of urban land use and to population density in the drainage areas represented by the sampling sites. The samples of fish tissue and bed sediment collected throughout the DELR were analyzed for a large suite of trace elements, but results of the analyses for eight elements-arsenic, cadmium, chromium, copper, lead, nickel, mercury, and zinc- that are considered contaminants of concern are described in this report. One or more of the eight trace elements were detected in samples from every fish tissue and bed-sediment sampling site, and all of the trace elements were detected in samples from 97 percent of the bed-sediment sites. The concentrations of organic compounds and trace elements in the DELR samples were compared to applicable guidelines for the protection of wildlife and other biological organisms. Concentrations of total DDT, total chlordanes, total PCBs, and dieldrin in fish-tissue samples from 14 sites exceeded one or more of the Wildlife Protective Guidelines established by the New York State Department of Environmental Conservation. Concentrations of one or more organic compounds in samples from 16 bed-sediment sites exceeded the Threshold Effects Concentrations (TEC) of the Canadian Sediment Quality Guidelines, and concentrations of one or more of the eight trace elements in samples from 38 bed-sediment sites exceeded the TEC. (The TEC is the concentration below which adverse biological effects in freshwater ecosystems are expected to be rare.) Concentrations of organic compounds in samples from some bed-sediment sites exceeded the Canadian Probable Effects Concentrations (PEC), and concentrations of trace elements in samples from 18 sites exceeded the PEC. (The PEC is the concentration above which adverse effects to biological organisms are expected to occur frequently). Concentrations of organic compounds and trace elements in samples from the DELR were compared to similar data from other NAWQA study units in the northeastern United States and also data from the Mobile River (Alabama) Basin and the Northern Rockies Intermontane Basin study units. Median concentrations of to

Isoquinoline Alkaloids from Erythrinapoeppigiana (Leguminosae) and Cytotoxic Activity Against Breast Cancer Cells Line MCF-7 In Silico

NASA Astrophysics Data System (ADS)

Herlina, T.; Mardianingrum, R.; Gaffar, S.; Supratman, U.

2017-02-01

Erythrinapoeppigiana(Leguminosae) is a higher plant that has been used as a folk for the treatment of infection, fever, and inflammation. In the course of our continuing search for novel cytotoxic compounds from genus Erythrina, the methanol extract of E. poeppigiana showed a significant cytotoxic activity against breast cancer cells line MCF-7 in silico. The compounds in methanol extract of the E. poeppigiana was separated using a bioassay-guided fractionation. By using a cytotoxic activity to follow separation, the methylene chloride was separated by several column chromatography techniques on silica gel and ODS to yield three active compounds (1-3). The chemical structures of active compounds were determined on the basis of spectroscopic evidence and comparison with those identical compounds that previously reported and identified as a 10,11-dihydroxyerysodine (1) 6,7-dihydro-17-hydroxyerysotrine (2) 6,7-dihydro-11-methoxyerysotrine (3). Compounds (1-3) showed cytotoxic activity inhibits EGFR 2 against breast cancer cell line MCF-7 in silico molecular docking method with bond Gibbs free energy (ΔG) (kcal/mol) and inhibition constants (Ki) (nM) of value (-8.61121, 4.84×10-7) (-8.1145, 1.12×10-6) and (-7.3394, 4.14×10-6), respectively.

Biobased Carbon Fibers and High-Performance Thermosetting Resins for Use in U.S. Department of Defense Applications

DTIC Science & Technology

2012-06-01

water on the synthesis . bHMF (20.5 g), epichlorohydrin (59.2 g), DMF (30 mL) and benzyl trimethyl ammonium chloride (1.18 g) were mixed and heated up...107  5.2.3  Synthesis of Methacrylated Lignin Model Compounds ..................................108  5.2.4  Monomer and...145  6.2.2  Synthesis of Vanillin-Based Resin ..................................................................146  6.2.3  Resin

Analysis of the binding sites of vitamin D 1α-hydroxylase (CYP27B1) and vitamin D 24-hydroxylase (CYP24A1) for the design of selective CYP24A1 inhibitors: Homology modelling, molecular dynamics simulations and identification of key binding requirements.

PubMed

Taban, Ismail M; Zhu, Jinge; DeLuca, Hector F; Simons, Claire

2017-10-15

A homology model of human CYP27B1 was built using MOE and was further optimised by molecular dynamics simulations of the hCYP27B1 homology model and a hCYP27B1-SDZ-88357 complex. Docking results from the hCYP27B1-SDZ-88357 complex showed amino acids Arg107, Asn387 and Asp320 have an important role in binding interaction, with Asp320 part of the important acid-alcohol pair situated in the I-helix with the conserved sequence (A/G) GX (E/D) (T/S), which assumes an essential role in the binding of an oxygen molecule for catalysis. Additional docking experiments with selective hCYP27B1 or hCYP24A1 inhibitors using both the hCYP27B1 model and a triple mutant hCYP24A1 model provided further support for the importance of H-bonding interactions with the three identified active site amino acids. To confirm the role of Arg107, Asn387 and Asp320 in the active site of hCYP27B1 compounds were designed that would form H-bonding interactions, as determined from docking experiments with the hCYP27B1 model. Subsequent synthesis and CYP24A1 and CYP27B1 enzyme assays of the designed compounds 1a and 1b showed a∼5-fold selectivity for CYP27B1 confirming the importance of Asp320 in particular and also Asn387 and Arg107 as important amino acids for CYP27B1 inhibitory activity. Copyright © 2017 Elsevier Ltd. All rights reserved.

Trace elements and organic compounds in bed sediment from selected streams in southern Louisiana, 1998

USGS Publications Warehouse

Skrobialowski, Stanley C.

2002-01-01

Bed-sediment samples from 21 selected streams in southern Louisiana were collected and analyzed for the presence of trace elements and organic compounds during 1998 as part of the U.S. Geological Survey National Water-Quality Assessment Program. Concentrations of selected trace elements and organic compounds were compared on the basis of sediment-quality criteria, land use, and grain size; concentrations of selected trace elements also were compared with concentrations from previous studies. Concentrations of seven selected trace elements and 21 organic compounds were evaluated with sediment-quality criteria established by the Canadian Council of Ministers of the Environment. Concentrations of selected trace elements and organic compounds were highest at sites draining urban and agricultural areas and may result from cumulative effects of relatively high percentages of fine-grained material, iron, and organic material. Concentrations exceeding sediment-quality criteria for the protection of aquatic life occurred most frequently at Bayou Grosse Tete at Rosedale and Bayou Lafourche below weir at Thibodaux. Exceedance of Interim Sediment Quality Guidelines occurred most frequently for arsenic and chromium. Trace-element concentrations in fine-grained samples were compared with concentrations in bulk samples and were determined to be significantly different, and concentrations were generally higher in finegrained sediment. Shapiro-Wilk, paired t-test, and Wilcoxon rank sum statistical procedures, with an alpha of 0.05, were used to compare concentrations of 21 trace elements, total organic carbon, and total carbon in finegrained and bulk sediment samples for 19 sites. Significant differences were determined between fine-grained and bulk sediment samples for aluminum, barium, beryllium, chromium, copper, iron, lithium, nickel, phosphorus, selenium, titanium, and zinc concentrations. Of 133 paired concentrations, 69 percent were greater in fine-grained samples, and 23 percent were greater in bulk samples. Comparisons with data from previous studies indicate increases by more than 20 percent in concentrations of antimony at Bayou Lafourche below weir at Thibodaux, arsenic and chromium at Tickfaw River at Liverpool, lead at Bayou Lafourche below weir at Thibodaux, and zinc at Bayou Lafourche below weir at Thibodaux and Vermilion River at Perry. Historic comparisons also indicate decreases by more than 20 percent in concentrations of chromium at Bayou des Cannes near Eunice and mercury at Mermentau River at Mermentau.

Space Shuttle Pad Exposure Period Meteorological Parameters STS-1 Through STS-107

NASA Technical Reports Server (NTRS)

Overbey, B. G.; Roberts, B. C.

2005-01-01

During the 113 missions of the Space Transportation System (STS) to date, the Space Shuttle fleet has been exposed to the elements on the launch pad for approx. 4,195 days. The Natural Environments Branch at Marshall Space Flight Center archives atmospheric environments to which the Space Shuttle vehicles are exposed. This Technical Memorandum (TM) provides a summary of the historical record of the meteorological conditions encountered by the Space Shuttle fleet during the pad exposure period. Parameters included in this TM are temperature, relative humidity, wind speed, wind direction, sea level pressure, and precipitation. Extremes for each of these parameters for each mission are also summarized. Sources for the data include meteorological towers and hourly surface observations. Data are provided from the first launch of the STS in 1981 through the launch of STS-107 in 2003.

Plasma Methods of Obtainment of Multifunctional Composite Materials, Dispersion-Hardened by Nanoparticles

NASA Astrophysics Data System (ADS)

Sizonenko, O. N.; Grigoryev, E. G.; Pristash, N. S.; Zaichenko, A. D.; Torpakov, A. S.; Lypian, Ye. V.; Tregub, V. A.; Zholnin, A. G.; Yudin, A. V.; Kovalenko, A. A.

2017-09-01

High voltage electric discharge (HVED) in disperse system "hydrocarbon liquid - powder" due to impact of plasma discharge channel, electromagnetic fields, shock waves mechanical impact, hydro flows and volume microcavitation leads to synthesis of nanocarbon, metal powders dispersion and synthesis of micro- (from 10-6 to 10-7 m) and nanosized (from 10-7 to 10-9 m) composite powders of hardening phases. Spark plasma sintering (SPS) of powder mixtures allows targeted control of grain growth rate and thus allows obtainment of multifunctional composite materials dispersion hardened by nanoparticles. Processes of HVED synthesis of micro- and nanosized powders of new compositions from elemental metal powders and their mixtures with the subsequent application of high-speed SPS of obtained powders create conditions for increase of strength (by 10-20 %), hardness and wear-resistance (by 30-60 %) of obtained materials.

Compound lens

DOEpatents

Brixner, B.B.; Klein, M.M.; Winkler, M.A.

1980-05-21

The disclosure relates to at least one calcium fluoride optical element used in combination with at least two ordinary crown glass lens elements to greatly reduce secondary spectrum in optical systems.

Compound lens

DOEpatents

Brixner, Berlyn B.; Klein, Morris M.; Winkler, Max A.

1982-01-01

The disclosure relates to at least one calcium fluoride optical element used in combination with at least two ordinary crown glass lens elements to greatly reduce secondary spectrum in optical systems.

Formularity: Software for Automated Formula Assignment of Natural and Other Organic Matter from Ultrahigh-Resolution Mass Spectra.

PubMed

Tolić, Nikola; Liu, Yina; Liyu, Andrey; Shen, Yufeng; Tfaily, Malak M; Kujawinski, Elizabeth B; Longnecker, Krista; Kuo, Li-Jung; Robinson, Errol W; Paša-Tolić, Ljiljana; Hess, Nancy J

2017-12-05

Ultrahigh resolution mass spectrometry, such as Fourier transform ion cyclotron resonance mass spectrometry (FT ICR MS), can resolve thousands of molecular ions in complex organic matrices. A Compound Identification Algorithm (CIA) was previously developed for automated elemental formula assignment for natural organic matter (NOM). In this work, we describe software Formularity with a user-friendly interface for CIA function and newly developed search function Isotopic Pattern Algorithm (IPA). While CIA assigns elemental formulas for compounds containing C, H, O, N, S, and P, IPA is capable of assigning formulas for compounds containing other elements. We used halogenated organic compounds (HOC), a chemical class that is ubiquitous in nature as well as anthropogenic systems, as an example to demonstrate the capability of Formularity with IPA. A HOC standard mix was used to evaluate the identification confidence of IPA. Tap water and HOC spike in Suwannee River NOM were used to assess HOC identification in complex environmental samples. Strategies for reconciliation of CIA and IPA assignments were discussed. Software and sample databases with documentation are freely available.

Fact Sheet on Arsenic

EPA Pesticide Factsheets

Arsenic is a naturally occurring element that is found in combination with either inorganic or organic substances to form many different compounds. Inorganic arsenic compounds are found in soils, sediments, and groundwater.

Deposition and chemistry of bottom sediments in Cochiti Lake, north-central New Mexico

USGS Publications Warehouse

Wilson, Jennifer T.; Van Metre, Peter C.

2000-01-01

Bottom sediments were sampled at seven sites in Cochiti Lake in September 1996. Sediment cores penetrating the entire lacustrine sediment sequence were collected at one site near the dam. Surficial sediments were sampled at the near-dam site and six other sites located along the length of the reservoir. Analyses included grain size, major and trace elements, organochlorine compounds, polycyclic aromatic hydrocarbons (PAH's), and radionuclides. Concentrations of trace elements, organic compounds, and radionuclides are similar to those in other Rio Grande reservoirs and are low compared to published sediment-quality guidelines. Most elements and compounds that were detected did not show trends in the age estimated sediment cores with the exception of a decreasing trend in total DDT concentrations from about 1980 to 1992. The mixture of PAH's suggests that the increase is caused by inputs of fuel-related PAH and not combustion- related PAH.

Water-quality assessment of part of the upper Mississippi River basin, Minnesota and Wisconsin: Design and implementation of water-quality studies, 1995-98

USGS Publications Warehouse

Stark, James R.; Fallon, J.D.; Fong, A.L.; Goldstein, R.M.; Hanson, P.E.; Kroening, S.E.; Lee, K.E.

1999-01-01

This report describes the design, site-selection, and implementation of the study. Methods used to collect, process, and analyze samples; characterize sites; and assess habitat are described. A comprehensive list of sample sites is provided. Sample analyses for water-quality studies included chlorophyll a, major inorganic constituents, nutrients, trace elements, tritium, radon, environmental isotopes, organic carbon, pesticides, volatile organic compounds, and other synthetic and naturallyoccurring organic compounds. Aquatic-biological samples included fish, benthic macroinvertebrates, and algal enumeration and identification, as well as synthetic-organic compounds and trace elements in fish tissue.

Trace elements and organic compounds in sediment and fish tissue from the Great Salt Lake basins, Utah, Idaho, and Wyoming, 1998-99

USGS Publications Warehouse

Waddell, Kidd M.; Giddings, Elise M.

2004-01-01

A study to determine the occurrence and distribution of trace elements, organochlorine pesticides, polychlorinated biphenyls (PCBs), and semivolatile organic compounds in sediment and in fish tissue was conducted in the Great Salt Lake Basins study unit of the National Water-Quality Assessment (NAWQA) program during 1998-99. Streambed-sediment and fish-tissue samples were collected concurrently at 11 sites and analyzed for trace-element concentration. An additional four sites were sampled for streambed sediment only and one site for fish tissue only. Organic compounds were analyzed from streambed-sediment and fish-tissue samples at 15 sites concurrently.Bed-sediment cores from lakes, reservoirs, and Farmington Bay collected by the NAWQA program in 1998 and by other researchers in 1982 were used to examine historical trends in trace-element concentration and to determine anthropogenic sources of contaminants. Cores collected in 1982 from Mirror Lake, a high-mountain reference location, showed an enrichment of arsenic, cadmium, copper, lead, tin, and zinc in the surface sediments relative to the deeper sediments, indicating that enrichment likely began after about 1900. This enrichment was attributed to atmospheric deposition during the period of metal-ore mining and smelting. A core from Echo Reservoir, in the Weber River Basin, however, showed a different pattern of trace-element concentration that was attributed to a local source. This site is located downstream from the Park City mining district, which is the most likely historical source of trace elements. Cores collected in 1998 from Farmington Bay show that the concentration of lead began to increase after 1842 and peaked during the mid-1980s and has been in decline since. Recent sediments deposited during 1996-98 indicate a 41- to 62-percent reduction since the peak in the mid-1980s.The concentration of trace elements in streambed sediment was greatest at sites that have been affected by historic mining, including sites on Little Cottonwood Creek in the Jordan River basin, Silver Creek in the Weber River basin, and the Weber River below the confluence with Silver Creek. There was significant correlation of lead concentrations in streambed sediment and fish tissue, but other trace elements did not correlate well. Streambed sediment and fish tissue collected from sites in the Bear River basin, which is predominantly rangeland and agriculture, generally had low concentrations of most elements.Sediment-quality guidelines were used to assess the relative toxicity of streambed-sediment sites to aquatic communities. Sites affected by mining exceeded the Probable Effect Concentration (PEC), the concentration at which it is likely there will be a negative effect on the aquatic community, for arsenic, cadmium, copper, lead, silver, mercury, and zinc. Sites that were not affected by mining did not exceed these criteria. Concentrations of trace elements in samples collected from the Great Salt Lake Basins study unit (GRSL) are high compared to those of samples collected nationally with the NAWQA program. Nine of 15 streambed-sediment samples and 11 of 14 fish-tissue samples had concentrations of at least one trace element greater than the concentration of 90 percent of the samples collected nationally during 1993-2000.Organic compounds that were examined in streambed sediment and fish-tissue samples also were examined in bed-sediment cores. A bed-sediment core from Farmington Bay of Great Salt Lake showed an increase in total polycyclic aromatic hydrocarbon (PAH) concentrations coincident with the increase in population in Salt Lake Valley, which drains into this bay. Analysis of streambed-sediment samples showed that the highest concentrations of PAHs were detected at urban sites, including two sites in the lower Jordan River (the Jordan River flows into Farmington Bay), the Weber River at Ogden Bay, and the Provo River near Provo. Other organic compounds detected in streambed sediment in the lower Jordan River were PCBs, DDT compounds, and chlordane compounds.Organic compounds were detected more frequently in fish tissue than in streambed sediment. Chlordane compounds and PCBs were detected more frequently at urban sites. DDT compounds were detected at 13 of 15 sites including urban and agricultural sites. Concentrations of total DDT in fish tissue exceeded the guideline for protection of fish-eating wildlife at two urban sites. The concentration of organic compounds in the GRSL study unit is low compared with that of samples collected nationally.

Inductively coupled plasma mass spectrometry (ICP MS): a versatile tool.

PubMed

Ammann, Adrian A

2007-04-01

Inductively coupled plasma (ICP) mass spectrometry (MS) is routinely used in many diverse research fields such as earth, environmental, life and forensic sciences and in food, material, chemical, semiconductor and nuclear industries. The high ion density and the high temperature in a plasma provide an ideal atomizer and element ionizer for all types of samples and matrices introduced by a variety of specialized devices. Outstanding properties such as high sensitivity (ppt-ppq), relative salt tolerance, compound-independent element response and highest quantitation accuracy lead to the unchallenged performance of ICP MS in efficiently detecting, identifying and reliably quantifying trace elements. The increasing availability of relevant reference compounds and high separation selectivity extend the molecular identification capability of ICP MS hyphenated to species-specific separation techniques. While molecular ion source MS is specialized in determining the structure of unknown molecules, ICP MS is an efficient and highly sensitive tool for target-element orientated discoveries of relevant and unknown compounds. This special-feature, tutorial article presents the principle and advantages of ICP MS, highlighting these using examples from recently published investigations. Copyright 2007 John Wiley & Sons, Ltd.

Preparation of uranium compounds

DOEpatents

Kiplinger, Jaqueline L; Montreal, Marisa J; Thomson, Robert K; Cantat, Thibault; Travia, Nicholas E

2013-02-19

UI.sub.3(1,4-dioxane).sub.1.5 and UI.sub.4(1,4-dioxane).sub.2, were synthesized in high yield by reacting turnings of elemental uranium with iodine dissolved in 1,4-dioxane under mild conditions. These molecular compounds of uranium are thermally stable and excellent precursor materials for synthesizing other molecular compounds of uranium including alkoxide, amide, organometallic, and halide compounds.

Intermetallic compounds of the heaviest elements and their homologs: the electronic structure and bonding of MM', where M=Ge, Sn, Pb, and element 114, and M'=Ni, Pd, Pt, Cu, Ag, Au, Sn, Pb, and element 114.

PubMed

Pershina, V; Anton, J; Fricke, B

2007-10-07

Fully relativistic (four-component) density-functional theory calculations were performed for intermetallic dimers MM', where M=Ge, Sn, Pb, and element 114, and MM'=group 10 elements (Ni, Pd, and Pt) and group 11 elements (Cu, Ag, and Au). PbM and 114M, where M are group 14 elements, were also considered. The results have shown that trends in spectroscopic properties-atomization energies D(e), vibrational frequencies omega(e), and bond lengths R(e), as a function of MM', are similar for compounds of Ge, Sn, Pb, and element 114, except for D(e) of PbNi and 114Ni. They were shown to be determined by trends in the energies and space distribution of the valence ns(MM')atomic orbitals (AOs). According to the results, element 114 should form the weakest bonding with Ni and Ag, while the strongest with Pt due to the largest involvement of the 5d(Pt) AOs. In turn, trends in the spectroscopic properties of MM' as a function of M were shown to be determined by the behavior of the np(1/2)(M) AOs. Overall, D(e) of the element 114 dimers are about 1 eV smaller and R(e) are about 0.2 a.u. larger than those of the corresponding Pb compounds. Such a decrease in bonding of the element 114 dimers is caused by the large SO splitting of the 7p orbitals and a decreasing contribution of the relativistically stabilized 7p(1/2)(114) AO. On the basis of the calculated D(e) for the dimers, adsorption enthalpies of element 114 on the corresponding metal surfaces were estimated: They were shown to be about 100-150 kJ/mol smaller than those of Pb.

Assessment of Energetic Compounds, Semi-volatile Organic Compounds, and Trace Elements in Streambed Sediment and Stream Water from Streams Draining Munitions Firing Points and Impact Areas, Fort Riley, Kansas, 2007-08

USGS Publications Warehouse

Coiner, R.L.; Pope, L.M.; Mehl, H.E.

2010-01-01

An assessment of energetic compounds (explosive and propellant residues) and associated semi-volatile organic compounds (SVOCs) and trace elements in streambed sediment and stream water from streams draining munitions firing points and impact areas at Fort Riley, northeast Kansas, was performed during 2007-08 by the U.S. Geological Survey (USGS) in cooperation with the U.S. Army. Streambed sediment from 16 sampling sites and stream-water samples from 5 sites were collected at or near Fort Riley and analyzed for as many as 17 energetic compounds, 65 SVOCs, and 27 trace elements. None of the energetic compounds or SVOCs were detected in streambed sediment collected from sites within the Fort Riley Military Reservation. This may indicate that these compounds either are not transported from dispersal areas or that analytical methods are not sensitive enough to detect the small concentrations that may be transported. Concentrations of munitions-associated trace elements did not exceed sediment-quality guidelines recommended by the U.S. Environmental Protection Agency (USEPA) and are not indicative of contamination of streambed sediment at selected streambed sampling sites, at least in regards to movement from dispersal areas. Analytical results of stream-water samples provided little evidence of contamination by energetic compounds, SVOCs, or associated trace elements. Perchlorate was detected in 19 of 20 stream-water samples at concentrations ranging from an estimated 0.057 to an estimated 0.236 ug/L (micrograms per liter) with a median concentration of an estimated 0.114 ug/L, substantially less than the USEPA Interim Health Advisory criterion (15 ug/L), and is in the range of documented background concentrations. Because of these small concentrations and possible natural sources (precipitation and groundwater), it is likely that the occurrence of perchlorate in stream water is naturally occurring, although a definitive identification of the source of perchlorate in stream water at Fort Riley is difficult. The only SVOCs detected in stream-water samples were bis(2-ethylhexyl) phthalate and di-n-butyl phthalate but at concentrations substantially less than the most stringent aquatic-life criteria established by the Kansas Department of Health and Environment. All trace element concentrations in stream-water samples were less than the most stringent aquatic-life criteria. The implication of these stream-water results is that contamination arising from firing-range activities, if it exists, is so small as to be nondetectable with current analytical methods or is not distinguishable from background concentrations for constituents that also are naturally occurring. Overall, the munitions-related constituents analyzed in streambed sediment and stream water, when detected, were at concentrations that were less than regulatory criteria

19 CFR 191.26 - Recordkeeping for manufacturing drawback.

Code of Federal Regulations, 2010 CFR

2010-04-01

... is applicable to the imported material. If the material is a compound with other constituents, including impurities, and the purity of the compound in the imported material is shown by satisfactory... entered amount of the material to establish the amount of pure compound. The amount of the element in the...

Polarization transfer NMR imaging

DOEpatents

Sillerud, Laurel O.; van Hulsteyn, David B.

1990-01-01

A nuclear magnetic resonance (NMR) image is obtained with spatial information modulated by chemical information. The modulation is obtained through polarization transfer from a first element representing the desired chemical, or functional, information, which is covalently bonded and spin-spin coupled with a second element effective to provide the imaging data. First and second rf pulses are provided at first and second frequencies for exciting the imaging and functional elements, with imaging gradients applied therebetween to spatially separate the nuclei response for imaging. The second rf pulse is applied at a time after the first pulse which is the inverse of the spin coupling constant to select the transfer element nuclei which are spin coupled to the functional element nuclei for imaging. In a particular application, compounds such as glucose, lactate, or lactose, can be labeled with .sup.13 C and metabolic processes involving the compounds can be imaged with the sensitivity of .sup.1 H and the selectivity of .sup.13 C.

Comprehensive laboratory measurements of biomass-burning emissions: 1. Emissions from Indonesian, African, and other fuels

NASA Astrophysics Data System (ADS)

Christian, T. J.; Kleiss, B.; Yokelson, R. J.; Holzinger, R.; Crutzen, P. J.; Hao, W. M.; Saharjo, B. H.; Ward, D. E.

2003-12-01

Trace gas and particle emissions were measured from 47 laboratory fires burning 16 regionally to globally significant fuel types. Instrumentation included the following: open-path Fourier transform infrared spectroscopy; proton transfer reaction mass spectrometry; filter sampling with subsequent analysis of particles with diameter <2.5 μm for organic and elemental carbon and other elements; and canister sampling with subsequent analysis by gas chromatography (GC)/flame ionization detector, GC/electron capture detector, and GC/mass spectrometry. The emissions of 26 compounds are reported by fuel type. The results include the first detailed measurements of the emissions from Indonesian fuels. Carbon dioxide, CO, CH4, NH3, HCN, methanol, and acetic acid were the seven most abundant emissions (in order) from burning Indonesian peat. Acetol (hydroxyacetone) was a major, previously unobserved emission from burning rice straw (21-34 g/kg). The emission factors for our simulated African fires are consistent with field data for African fires for compounds measured in both the laboratory and the field. However, the higher concentrations and more extensive instrumentation in this work allowed quantification of at least 10 species not previously quantified for African field fires (in order of abundance): acetaldehyde, phenol, acetol, glycolaldehyde, methylvinylether, furan, acetone, acetonitrile, propenenitrile, and propanenitrile. Most of these new compounds are oxygenated organic compounds, which further reinforces the importance of these reactive compounds as initial emissions from global biomass burning. A few high-combustion-efficiency fires emitted very high levels of elemental (black) carbon, suggesting that biomass burning may produce more elemental carbon than previously estimated.

Plasma selenium, zinc, copper and lipid levels in postmenopausal Turkish women and their relation with osteoporosis.

PubMed

Arikan, Deniz Cemgil; Coskun, Ayhan; Ozer, Ali; Kilinc, Metin; Atalay, Filiz; Arikan, Tugba

2011-12-01

It has been shown that the trace elements and lipids play role in the growth, development and maintenance of bones. We aimed to investigate serum selenium (Se), zinc (Zn), copper (Cu) and lipid (total cholesterol, triglyceride (TG), high density lipoprotein-cholesterol, low-density lipoprotein-cholesterol) levels in postmenopausal women with osteoporosis, osteopenia and in healthy controls, and to determine the relationship between Se, Zn, Cu and lipid parameters and bone mineral density (BMD). The study included 107 postmenopausal women; 35 healthy (group 1), 37 osteopenic (group 2) and 35 osteoporotic (group 3). The women in all three groups were carefully matched for body mass index (BMI). Serum concentrations of Se, Zn and Cu were measured by atomic absorption spectrophotometry. Plasma Se, Cu, Zn and lipid levels were similar in all groups (p > 0.05). When we combined the women in each of the three groups, and considered them as one group (n = 107) we found a positive correlation between BMI and lumbar vertebra BMD, femur neck BMD, femur total BMD; a positive correlation between TG and femur neck BMD, femur total BMD; a positive correlation between Zn and lumbar vertebra BMD (total T score) (p < 0.05). There was no correlation between Se, Cu, Zn, P and lipid parameters (p > 0.05). Although BMI has a positive effect on BMD, trace elements and lipids, except Zn and TG, did not directly and correlatively influence BMD. Further studies are needed to clarify the role and relationship of trace elements and lipid parameters in postmenopausal osteoporosis.

Design and synthesis of 3,3'-biscoumarin-based c-Met inhibitors.

PubMed

Xu, Jimin; Ai, Jing; Liu, Sheng; Peng, Xia; Yu, Linqian; Geng, Meiyu; Nan, Fajun

2014-06-14

A library of biscoumarin-based c-Met inhibitors was synthesized, based on optimization of 3,3'-biscoumarin hit 3, which was identified as a non-ATP competitive inhibitor of c-Met from a diverse library of coumarin derivatives. Among these compounds, 38 and 40 not only showed potent enzyme activities with IC50 values of 107 nM and 30 nM, respectively, but also inhibited c-Met phosphorylation in BaF3/TPR-Met and EBC-1 cells.

Preliminary analysis of an extensive one year survey of trace elements and compounds in the suspended particulate matter in Cleveland, Ohio

NASA Technical Reports Server (NTRS)

King, R. B.; Fordyce, J. S.; Antoine, A. C.; Leibecki, H. F.; Neustadter, H. E.; Sidik, S. M.; Burr, J. C.; Craig, G. T.; Cornett, C. L.

1974-01-01

Preliminary review of a study of trace elements and compound concentrations in the ambient suspended particulate matter in Cleveland, Ohio, measured from August 1971 through June 1973, as a function of source, monitoring location, and meteorological conditions. The study is aimed at the development of techniques for identifying specific pollution sources which could be integrated into a practical system readily usable by an enforcement agency.

Alloy Design Data Generated for B2-Ordered Compounds

NASA Technical Reports Server (NTRS)

Noebe, Ronald D.; Bozzolo, Guillermo; Abel, Phillip B.

2003-01-01

Developing alloys based on ordered compounds is significantly more complicated than developing designs based on disordered materials. In ordered compounds, the major constituent elements reside on particular sublattices. Therefore, the addition of a ternary element to a binary-ordered compound is complicated by the manner in which the ternary addition is made (at the expense of which binary component). When ternary additions are substituted for the wrong constituent, the physical and mechanical properties usually degrade. In some cases the resulting degradation in properties can be quite severe. For example, adding alloying additions to NiAl in the wrong combination (i.e., alloying additions that prefer the Al sublattice but are added at the expense of Ni) will severely embrittle the alloy to the point that it can literally fall apart during processing on cooling from the molten state. Consequently, alloying additions that strongly prefer one sublattice over another should always be added at the expense of that component during alloy development. Elements that have a very weak preference for a sublattice can usually be safely added at the expense of either element and will accommodate any deviation from stoichiometry by filling in for the deficient component. Unfortunately, this type of information is not known beforehand for most ordered systems. Therefore, a computational survey study, using a recently developed quantum approximate method, was undertaken at the NASA Glenn Research Center to determine the preferred site occupancy of ternary alloying additions to 12 different B2-ordered compounds including NiAl, FeAl, CoAl, CoFe, CoHf, CoTi, FeTi, RuAl, RuSi, RuHf, RuTi, and RuZr. Some of these compounds are potential high temperature structural alloys; others are used in thin-film magnetic and other electronic applications. The results are summarized. The italicized elements represent the previous sum total alloying information known and verify the computational method used to establish the table. Details of the computational procedures used to determine the preferred site occupancy can be found in reference 2. As further substantiation of the validity of the technique, and its extension to even more complicated systems, it was applied to two simultaneous alloying additions in an ordered alloy.

Thin film heterojunction photovoltaic cells and methods of making the same

DOEpatents

Basol, Bulent M.; Tseng, Eric S.; Rod, Robert L.

1983-06-14

A method of fabricating a thin film heterojunction photovoltaic cell which comprises depositing a film of a near intrinsic or n-type semiconductor compound formed of at least one of the metal elements of Class II B of the Periodic Table of Elements and at least tellurium and then heating said film at a temperature between about 250.degree. C. and 500.degree. C. for a time sufficient to convert said film to a suitably low resistivity p-type semiconductor compound. Such film may be deposited initially on the surface of an n-type semiconductor substrate. Alternatively, there may be deposited on the converted film a layer of n-type semiconductor compound different from the film semiconductor compound. The resulting photovoltaic cell exhibits a substantially increased power output over similar cells not subjected to the method of the present invention.

The First Row Anomaly and Recoupled Pair Bonding in the Halides of the Late p-Block Elements

PubMed Central

2012-01-01

The dramatic differences between the properties of molecules formed from the late p-block elements of the first row of the periodic table (N–F) and those of the corresponding elements in subsequent rows is well recognized as the first row anomaly. Certain properties of the atoms, such as the relative energies and spatial extents of the ns and np orbitals, can explain some of these differences, but not others. In this Account, we summarize the results of our recent computational studies of the halides of the late p-block elements. Our studies point to a single underlying cause for many of these differences: the ability of the late p-block elements in the second and subsequent rows of the periodic table to form recoupled pair bonds and recoupled pair bond dyads with very electronegative ligands. Recoupled pair bonds form when an electron in a singly occupied ligand orbital recouples the pair of electrons in a doubly occupied lone pair orbital on the central atom, leading to a central atom-ligand bond. Recoupled pair bond dyads occur when a second ligand forms a bond with the orbital left over from the initial recoupled pair bond. Recoupled pair bonds and recoupled pair bond dyads enable the late p-block elements to form remarkably stable hypervalent compounds such as PF5 and SF6 and lead to unexpected excited states in smaller halides of the late p-block elements such as SF and SF2. Recoupled pair bonding also causes the Fn–1X–F bond energies to oscillate dramatically once the normal valences of the central atoms have been satisfied. In addition, recoupled pair bonding provides a lower-energy pathway for inversion in heavily fluorinated compounds (PF3 and PF2H, but not PH2F and PH3) and leads to unusual intermediates and products in reactions involving halogens and late p-block element compounds, such as (CH3)2S + F2. Although this Account focuses on the halides of the second row, late p-block elements, recoupled pair bonds and recoupled pair bond dyads are important in the chemistry of p-block elements beyond the second row (As, Se, and Br) and for compounds of these elements with other very electronegative ligands, such as OH and O. Knowledge of recoupled pair bonding is thus critical to understanding the properties and reactivity of molecules containing the late p-block elements beyond the first row. PMID:23151313

The first row anomaly and recoupled pair bonding in the halides of the late p-block elements.

PubMed

Dunning, Thom H; Woon, David E; Leiding, Jeff; Chen, Lina

2013-02-19

The dramatic differences between the properties of molecules formed from the late p-block elements of the first row of the periodic table (N-F) and those of the corresponding elements in subsequent rows is well recognized as the first row anomaly. Certain properties of the atoms, such as the relative energies and spatial extents of the ns and np orbitals, can explain some of these differences, but not others. In this Account, we summarize the results of our recent computational studies of the halides of the late p-block elements. Our studies point to a single underlying cause for many of these differences: the ability of the late p-block elements in the second and subsequent rows of the periodic table to form recoupled pair bonds and recoupled pair bond dyads with very electronegative ligands. Recoupled pair bonds form when an electron in a singly occupied ligand orbital recouples the pair of electrons in a doubly occupied lone pair orbital on the central atom, leading to a central atom-ligand bond. Recoupled pair bond dyads occur when a second ligand forms a bond with the orbital left over from the initial recoupled pair bond. Recoupled pair bonds and recoupled pair bond dyads enable the late p-block elements to form remarkably stable hypervalent compounds such as PF(5) and SF(6) and lead to unexpected excited states in smaller halides of the late p-block elements such as SF and SF(2). Recoupled pair bonding also causes the F(n-1)X-F bond energies to oscillate dramatically once the normal valences of the central atoms have been satisfied. In addition, recoupled pair bonding provides a lower-energy pathway for inversion in heavily fluorinated compounds (PF(3) and PF(2)H, but not PH(2)F and PH(3)) and leads to unusual intermediates and products in reactions involving halogens and late p-block element compounds, such as (CH(3))(2)S + F(2). Although this Account focuses on the halides of the second row, late p-block elements, recoupled pair bonds and recoupled pair bond dyads are important in the chemistry of p-block elements beyond the second row (As, Se, and Br) and for compounds of these elements with other very electronegative ligands, such as OH and O. Knowledge of recoupled pair bonding is thus critical to understanding the properties and reactivity of molecules containing the late p-block elements beyond the first row.

Synthesis reactions and radioactive properties of transactinoid elements

NASA Astrophysics Data System (ADS)

Oganessian, Yu. Ts.

1994-10-01

It is well known that the heaviest elements of the periodic table have been synthesized in the cold fusion of magic nuclei of Pb with Z less than 26 ions. Because of dynamic limitations for fusion under strong Coulomb interaction of nuclei, the cross-sections of cold fusion reactions diminish exponentially with growing compound nucleus atomic number. For element Z = 110 produced in the reaction Pb-208(Ni-62,n)(sub 271)110, the expected cross-section is 10(exp -36) sq cm. In still more asymmetric reactions, when isotopes of actinoid elements irradiated with relatively light ions (Z less than or equal 12) are used as the target material, the compound nuclei possess an excitation energy of approx. 50 MeV. At this energy the nuclear shell effects are strongly suppressed and, as a result, in the case of hot compound nuclei of transactinoid elements the fission barrier is practically absent. The transition of these nuclei into the ground state depends strongly on the dynamic properties of the system with respect to the fission degree of freedom. Experimental studies were going on in two directions: (1) determination of the fission time by measuring the prefission neutrons (of Cf-Fm nuclei) in a wide interval of excitation energies; (2) direct synthesis of known nuclides with Z = 102-105 in reactions with ions of Ne-22, Mg-26, Al-27 and P-31 when final nuclei are produced in the ground state after the evaporation of five or six neutrons from the excited compound nuclei (E(sub x) = 50-60 MeV). The dependence of the reaction cross-section (HI, 5-6n) on the atomic number of the compound nucleus in different target-ion combinations points to the possibility of synthesizing new elements in hot fusion reactions. The advantage of these reactions arises from the use of neutron-rich nuclei like Cm-248 and Cf-249 which allows us to synthesize nuclei close to the deformed shell N = 162, for which a considerable growth of stability against spontaneous fission is predicted. Experimental set-ups and methods of detecting rare events of formation and decay of transactinide nuclei are described.

Speciation analysis and bioaccessibility evaluation of trace elements in goji berries (Lycium Barbarum, L.).

PubMed

Wojcieszek, Justyna; Kwiatkowski, Piotr; Ruzik, Lena

2017-04-07

Goji berries (Lycium Barbarum, L.) are known for their nutritional potential as a great source of trace metals (e.g., copper, zinc and manganese) which are present in the form of highly bioaccessible compounds. In order to assess the bioaccessibility of trace elements and to identify compounds responsible for better bioaccessibility of copper and zinc, an in vitro simulation of gastrointestinal digestion was used in this study. The total content of trace metals was evaluated using sample digestion followed by inductively coupled plasma mass spectrometry. Bioaccessibility of trace elements was estimated by size exclusion chromatography coupled to inductively coupled plasma mass spectrometry. These analytical methods were used to analyse samples of goji berries to determine the highest amount of elements. For total trace metal content in goji berries, Zn had the highest level of the three studied (10.6μgg -1 ), while the total content of manganese and copper was 9.9μgg -1 and 6.1μgg -1 , respectively. Additionally, the analysed metals were found to be highly bioaccessible to the human body (about 56% for Mn, 72% for Cu and 64% for Zn in the gastric extract and approximately 35% for Mn, 23% for Cu and 31% for Zn in the case of gastrointestinal extract). To obtain information about metal complexes present in goji berries, extraction treatment using different solutions (ionic liquid, HEPES, SDS, Tris-HCl, ammonium acetate, water) was performed. Enzymatic treatment using pectinase and hemicellulase was also checked. Extracts of berries were analysed by SEC-ICP-MS and μHPLC-ESI-MS/MS techniques. The ionic liquid and pectinase extraction helped efficiently extract copper (seven compounds) and zinc (four compounds) complexes. Compounds identified in goji berries are most likely to be responsible for better bioaccessibility of those elements to the human organism. Copyright © 2017 Elsevier B.V. All rights reserved.

Multi-component intermetallic electrodes for lithium batteries

DOEpatents

Thackeray, Michael M; Trahey, Lynn; Vaughey, John T

2015-03-10

Multi-component intermetallic negative electrodes prepared by electrochemical deposition for non-aqueous lithium cells and batteries are disclosed. More specifically, the invention relates to composite intermetallic electrodes comprising two or more compounds containing metallic or metaloid elements, at least one element of which can react with lithium to form binary, ternary, quaternary or higher order compounds, these compounds being in combination with one or more other metals that are essentially inactive toward lithium and act predominantly, but not necessarily exclusively, to the electronic conductivity of, and as current collection agent for, the electrode. The invention relates more specifically to negative electrode materials that provide an operating potential between 0.05 and 2.0 V vs. metallic lithium.

Thermodynamic Properties of Actinides and Actinide Compounds

NASA Astrophysics Data System (ADS)

Konings, Rudy J. M.; Morss, Lester R.; Fuger, Jean

The necessity of obtaining accurate thermodynamic quantities for the actinide elements and their compounds was recognized at the outset of the Manhattan Project, when a dedicated team of scientists and engineers initiated the program to exploit nuclear energy for military purposes. Since the end of World War II, both fundamental and applied objectives have motivated a great deal of further study of actinide thermodynamics. This chapter brings together many research papers and critical reviews on this subject. It also seeks to assess, to systematize, and to predict important properties of the actinide elements, ions, and compounds, especially for species in which there is significant interest and for which there is an experimental basis for the prediction.

UTILITY OF THREE TYPES OF MASS SPECTROMETERS FOR DETERMINING ELEMENTAL COMPOSITIONS OF IONS FORMED FROM CHROMATOGRAPHICALLY SEPARATED COMPOUNDS

EPA Science Inventory

Sponsor Referee: Douglas F. Barofsky, Oregon State University Concentration factors of 1000 and more reveal dozens of compounds in extracts of water supplies. Library mass spectra for most of these compounds are not available, and alternative means of identification are needed. D...

Experimental formation enthalpies for intermetallic phases and other inorganic compounds

PubMed Central

Kim, George; Meschel, S. V.; Nash, Philip; Chen, Wei

2017-01-01

The standard enthalpy of formation of a compound is the energy associated with the reaction to form the compound from its component elements. The standard enthalpy of formation is a fundamental thermodynamic property that determines its phase stability, which can be coupled with other thermodynamic data to calculate phase diagrams. Calorimetry provides the only direct method by which the standard enthalpy of formation is experimentally measured. However, the measurement is often a time and energy intensive process. We present a dataset of enthalpies of formation measured by high-temperature calorimetry. The phases measured in this dataset include intermetallic compounds with transition metal and rare-earth elements, metal borides, metal carbides, and metallic silicides. These measurements were collected from over 50 years of calorimetric experiments. The dataset contains 1,276 entries on experimental enthalpy of formation values and structural information. Most of the entries are for binary compounds but ternary and quaternary compounds are being added as they become available. The dataset also contains predictions of enthalpy of formation from first-principles calculations for comparison. PMID:29064466

Fast preconcentration of trace rare earth elements from environmental samples by di(2-ethylhexyl)phosphoric acid grafted magnetic nanoparticles followed by inductively coupled plasma mass spectrometry detection

NASA Astrophysics Data System (ADS)

Yan, Ping; He, Man; Chen, Beibei; Hu, Bin

2017-10-01

In this work, di(2-ethylhexyl)phosphoric acid (P204) grafted magnetic nanoparticles were synthesized by fabricating P204 onto Fe3O4@TiO2 nanoparticles based on Lewis acid-base interaction between Ti and phosphate group under weakly acidic condition. The prepared Fe3O4@TiO2@P204 nanoparticles exhibited excellent selectivity for rare earth elements, and good anti-interference ability. Based on it, a method of magnetic solid phase extraction (MSPE) combined with inductively coupled plasma mass spectrometry (ICP-MS) was developed for fast preconcentration and determination of trace rare earth elements in environmental samples. Under the optimal conditions, the detection limits of rare earth elements were in the range of 0.01 (Tm)-0.12 (Nd) ng L- 1 with an enrichment factor of 100-fold, and the relative standard deviations ranged from 4.9 (Pr) to 10.7% (Er). The proposed method was successfully applied to the determination of rare earth elements in environmental samples, including river water, lake water, seawater and sediment.

Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

NASA Astrophysics Data System (ADS)

Kohri, Hitoshi; Yagasaki, Takayoshi

2018-02-01

Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a corrosion product diffuses to the environment including the salt was suggested in Bi0.5Sb1.5Te3. However, the amount of dissolved corrosion product was very low, and the chemical stability of the corrosion product was not changed or improved by element substitution.

Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

NASA Astrophysics Data System (ADS)

Kohri, Hitoshi; Yagasaki, Takayoshi

2018-06-01

Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a corrosion product diffuses to the environment including the salt was suggested in Bi0.5Sb1.5Te3. However, the amount of dissolved corrosion product was very low, and the chemical stability of the corrosion product was not changed or improved by element substitution.

Semiconductor neutron detector

DOEpatents

Ianakiev, Kiril D [Los Alamos, NM; Littlewood, Peter B [Cambridge, GB; Blagoev, Krastan B [Arlington, VA; Swinhoe, Martyn T [Los Alamos, NM; Smith, James L [Los Alamos, NM; Sullivan, Clair J [Los Alamos, NM; Alexandrov, Boian S [Los Alamos, NM; Lashley, Jason Charles [Santa Fe, NM

2011-03-08

A neutron detector has a compound of lithium in a single crystal form as a neutron sensor element. The lithium compound, containing improved charge transport properties, is either lithium niobate or lithium tantalate. The sensor element is in direct contact with a monitor that detects an electric current. A signal proportional to the electric current is produced and is calibrated to indicate the neutrons sensed. The neutron detector is particularly useful for detecting neutrons in a radiation environment. Such radiation environment may, e.g. include gamma radiation and noise.

SEPARATION OF PLUTONIUM FROM ELEMENTS HAVING AN ATOMIC NUMBER NOT LESS THAN 92

DOEpatents

Fitch, F.T.; Russell, D.S.

1958-09-16

other elements having atomic numbers nnt less than 92, It has been proposed in the past to so separate plutonium by solvent extraction iato an organic solvent using triglycoldichlcride as the organic solvent. The improvement lies in the discovery that triglycoldichloride performs far more efflciently as an extractant, wher certain second organie compounds are added to it. Mentioned as satisfactory additive compounds are benzaldehyde, saturated aliphatic aldehydes containtng at least twc carbon atoms, and certain polyhydric phenols.

Elements, Compounds & Mixtures. Physical Science in Action[TM]. Schlessinger Science Library. [Videotape].

ERIC Educational Resources Information Center

2000

The world contains a limited number of elements--the purest form of matter. But when these elements are combined, the possibilities are limitless! Water, carbon dioxide and salt are just a few examples of how elements can be combined to form entirely new substances. Many of these combinations occur naturally, while others are man-made. Students…

Controlling the stoichiometry and doping of semiconductor materials

DOEpatents

Albin, David; Burst, James; Metzger, Wyatt; Duenow, Joel; Farrell, Stuart; Colegrove, Eric

2016-08-16

Methods for treating a semiconductor material are provided. According to an aspect of the invention, the method includes annealing the semiconductor material in the presence of a compound that includes a first element and a second element. The first element provides an overpressure to achieve a desired stoichiometry of the semiconductor material, and the second element provides a dopant to the semiconductor material.

Formularity: Software for Automated Formula Assignment of Natural and Other Organic Matter from Ultrahigh-Resolution Mass Spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tolić, Nikola; Liu, Yina; Liyu, Andrey

Ultrahigh-resolution mass spectrometry, such as Fourier transform ion-cyclotron resonance mass spectrometry (FT-ICR MS), can resolve thousands of molecular ions in complex organic matrices. A Compound Identification Algorithm (CIA) was previously developed for automated elemental formula assignment for natural organic matter (NOM). In this work we describe a user friendly interface for CIA, titled Formularity, which includes an additional functionality to perform search of formulas based on an Isotopic Pattern Algorithm (IPA). While CIA assigns elemental formulas for compounds containing C, H, O, N, S, and P, IPA is capable of assigning formulas for compounds containing other elements. We used halogenatedmore » organic compounds (HOC), a chemical class that is ubiquitous in nature as well as anthropogenic systems, as an example to demonstrate the capability of Formularity with IPA. A HOC standard mix was used to evaluate the identification confidence of IPA. The HOC spike in NOM and tap water were used to assess HOC identification in natural and anthropogenic matrices. Strategies for reconciliation of CIA and IPA assignments are discussed. Software and sample databases with documentation are freely available from the PNNL OMICS software repository https://omics.pnl.gov/software/formularity.« less

REDUCTION OF INORGANIC COMPOUNDS WITH MOLECULAR HYDROGEN BY MICROCOCCUS LACTILYTICUS I.

PubMed Central

Woolfolk, C. A.; Whiteley, H. R.

1962-01-01

Woolfolk, C. A. (University of Washington, Seattle) and H. R. Whiteley. Reduction of inorganic compounds with molecular hydrogen by Micrococcus lactilyticus. I. Stoichiometry with compounds of arsenic, selenium, tellurium, transition and other elements. J. Bacteriol. 84:647–658. 1962.—Extracts of Micrococcus lactilyticus (Veillonella alcalescens) oxidize molecular hydrogen at the expense of certain compounds of arsenic, bismuth, selenium, tellurium, lead, thallium, vanadium, manganese, iron, copper, molybdenum, tungsten, osmium, ruthenium, gold, silver, and uranium, as well as molecular oxygen. Chemical and manometric data indicate that the following reductions are essentially quantitative: arsenate to arsenite, pentavalent and trivalent bismuth to the free element, selenite via elemental selenium to selenide, tellurate and tellurite to tellurium, lead dioxide and manganese dioxide to the divalent state, ferric to ferrous iron, osmium tetroxide to osmate ion, osmium dioxide and trivalent osmium to the metal, uranyl uranium to the tetravalent state, vanadate to the level of vanadyl, and polymolybdate ions to molybdenum blues with an average valence for molybdenum of +5. The results of a study of certain other hydrogenase-containing bacteria with respect to their ability to carry out some of the same reactions are also presented. PMID:14001842

Pakistan--U.S. Anti-Terrorism Cooperation

DTIC Science & Technology

2003-03-28

PROGRAM ELEMENT NUMBER 6. AUTHOR( S ) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES...SPONSORING/MONITORING AGENCY NAME( S ) AND ADDRESS(ES) 10. SPONSOR/MONITOR’S ACRONYM( S ) 11. SPONSOR/MONITOR’S REPORT NUMBER( S ) 12. DISTRIBUTION/AVAILABILITY...signed into law, S . 1465 (P.L. 107-57) in October 2001. With this law, Congress exempted Pakistan from all sanctions related to democracy and debt

Quantitative analysis of the eight major compounds in the Samsoeum using a high-performance liquid chromatography coupled with diode array detection and electrospray ionization mass spectrometer

PubMed Central

Weon, Jin Bae; Yang, Hye Jin; Lee, Bohyoung; Ma, Jin Yeul; Ma, Choong Je

2015-01-01

Background: Samsoeum was traditionally used for treatment of a respiratory disease. Objective: The simultaneous determination of eight major compounds, ginsenoside Rg3, caffeic acid, puerarin, costunolide, hesperidin, naringin, glycyrrhizin, and 6-gingerol in the Samsoeum using a high-performance liquid chromatography (HPLC) coupled with diode array detection (DAD) and an electrospray ionization mass spectrometer was developed for an accurate and reliable quality assessment. Materials and Methods: Eight compounds were qualitative identified based on their mass spectra and by comparing with standard compounds and quantitative analyzed by HPLC-DAD. Separation of eight compounds was carried out on a LUNA C18 column (S-5 μm, 4.6 mm i.d. ×250 mm) with gradient elution composed of acetonitrile and 0.1% trifluoroacetic acid. Results: The data showed good linearity (R2 > 0.9996). The limits of detection and the limits of quantification were <0.53 μg and 1.62 μg, respectively. Inter- and Intra-day precisions (expressed as relative standard deviation values) were within 1.94% and 1.91%, respectively. The recovery of the method was in the range of 94.24–107.90%. Conclusion: The established method is effective and could be applied to quality control of Samsoeum. PMID:25829771

[Evaluation of uncertainty for determination of tin and its compounds in air of workplace by flame atomic absorption spectrometry].

PubMed

Wei, Qiuning; Wei, Yuan; Liu, Fangfang; Ding, Yalei

2015-10-01

To investigate the method for uncertainty evaluation of determination of tin and its compounds in the air of workplace by flame atomic absorption spectrometry. The national occupational health standards, GBZ/T160.28-2004 and JJF1059-1999, were used to build a mathematical model of determination of tin and its compounds in the air of workplace and to calculate the components of uncertainty. In determination of tin and its compounds in the air of workplace using flame atomic absorption spectrometry, the uncertainty for the concentration of the standard solution, atomic absorption spectrophotometer, sample digestion, parallel determination, least square fitting of the calibration curve, and sample collection was 0.436%, 0.13%, 1.07%, 1.65%, 3.05%, and 2.89%, respectively. The combined uncertainty was 9.3%.The concentration of tin in the test sample was 0.132 mg/m³, and the expanded uncertainty for the measurement was 0.012 mg/m³ (K=2). The dominant uncertainty for determination of tin and its compounds in the air of workplace comes from least squares fitting of the calibration curve and sample collection. Quality control should be improved in the process of calibration curve fitting and sample collection.

Magnetic phase transitions and magnetic structures in RTxX2, RSn1+xGe1-x and RSn2 compounds

NASA Astrophysics Data System (ADS)

Gil, Alina

2018-02-01

The work presents the review of magnetic properties of the RTxX2, RSn1+xGe1-x and RSn2 compounds. The RTxX2 (where R - rare earth, T - 3d-metal, X - p-electron element: Si, Ge, Sn, and 1 ≥ x > 0) and RSn1+xGe1-x compounds (where x ≈ 0.1) crystallize in the orthorhombic crystal structure of CeNiSi2-type and RSn2 compounds crystallize in ZrSi2-type structure. Both structures are described by the space group Cmcm. The RSn1+xGe1-x compounds seem to be interesting due to the replacement of d-metal to p-electron element. The non-stoichiometric CeNiSi2-type of RTxX2 compounds may be regarded as partially filled ZrSi2-type compounds. The transitions from paramagnetic to antiferromagnetic or ferromagnetic states are observed at low temperatures and there are lots of variants of magnetic structures ranging from simple collinear to the sine-modulated structures with commensurate or incommensurate propagation vector. The comparison of magnetic properties of these compounds may help to find answers to questions concerning mechanisms of interaction between the magnetic moments.

Finite Element Analysis of Walking Beam of a New Compound Adjustment Balance Pumping Unit

NASA Astrophysics Data System (ADS)

Wu, Jufei; Wang, Qian; Han, Yunfei

2017-12-01

In this paper, taking the designer of the new compound balance pumping unit beam as our research target, the three-dimensional model is established by Solid Works, the load and the constraint are determined. ANSYS Workbench is used to analyze the tail and the whole of the beam, the stress and deformation are obtained to meet the strength requirements. The finite element simulation and theoretical calculation of the moment of the center axis beam are carried out. The finite element simulation results are compared with the calculated results of the theoretical mechanics model to verify the correctness of the theoretical calculation. Finally, the finite element analysis is consistent with the theoretical calculation results. The theoretical calculation results are preferable, and the bending moment value provides the theoretical reference for the follow-up optimization and research design.

Spirotetronate antibiotics with anti-Clostridium activity from Actinomadura sp. 2EPS.

PubMed

Euanorasetr, Jirayut; Intra, Bungonsiri; Mongkol, Phayungsak; Chankhamhaengdecha, Surang; Tuchinda, Patoomratana; Mori, Mihoko; Shiomi, Kazuro; Nihira, Takuya; Panbangred, Watanalai

2015-02-01

The rare actinomycetes strain 2EPS was isolated from soil and analysis of cultural, morphological characteristics, diaminopimelic acid content of its cell wall, and 16S rRNA gene sequence indicates that 2EPS belongs to genus Actinomadura. In addition, neighbor-joining phylogenetic tree also confirmed the relationships of this strain to other members of Actinomadura. A butanol extract with antibacterial activity was purified by reversed-phase chromatography to obtain three bioactive compounds, designated as compounds 1, 2 and 3. The structures of these compounds were determined using spectroscopic analysis ((1)H-NMR and (13)C-NMR) and mass spectrometric analysis (HR-TOF-MS). Compounds 1-3 were identified and found to be the same as those included in the Japanese patent number JP 09227587 for spirotetronate antibiotics and are BE-45722A (1), BE-45722B (2) and BE-45722C (3), respectively. All compounds were active against Gram-positive bacteria (Staphylococcus aureus ATCC 25923, Bacillus cereus ATCC 14579, and B. subtilis ATCC 6633) with low MIC values between 0.08 and 5.0 µg/ml. Moreover, both 1 and 3 also exhibited strong activity, with similar MIC values, against Clostridium perfringens S107 at 0.63 µg/ml and C. difficile 630 at 0.08 µg/ml. These results suggest the identified spirotetronate compounds may have potential in the treatment of Clostridium infections. Overall, this analysis demonstrates that rare actinomycetes are a promising source for discovery of antimicrobial compounds.

The chemistry of the superheavy elements. II. The stability of high oxidation states in group 11 elements: Relativistic coupled cluster calculations for the di-, tetra- and hexafluoro metallates of Cu, Ag, Au, and element 111

NASA Astrophysics Data System (ADS)

Seth, Michael; Cooke, Fiona; Schwerdtfeger, Peter; Heully, Jean-Louis; Pelissier, Michel

1998-09-01

The stability of the high oxidation states +3 and +5 in Group 11 fluorides is studied by relativistic Møller-Plesset (MP) and coupled cluster methods. Higher metal oxidation states are stabilized by relativistic effects. As a result, the hexafluoro complex of the Group 11 element with nuclear charge 111 and oxidation state +5 is the most stable compared to the other congeners. The results also suggest that AgF6- is thermodynamically stable and, therefore, it might be feasable to synthesize this compound. For the copper fluorides we observe very large oscillations in the Møller-Plesset series up to the fourth order. Nonrelativistic calculations lead to the expected trend in the metal-fluorine bond distances for the MF2- compounds, CuF2-

Inductively coupled plasma mass spectrometry and electrospray mass spectrometry for speciation analysis: applications and instrumentation

NASA Astrophysics Data System (ADS)

Rosen, Amy L.; Hieftje, Gary M.

2004-02-01

To gain an understanding of the function, toxicity and distribution of trace elements, it is necessary to determine not only the presence and concentration of the elements of interest, but also their speciation, by identifying and characterizing the compounds within which each is present. For sensitive detection of compounds containing elements of interest, inductively coupled plasma mass spectrometry (ICP-MS) is a popular method, and for identification of compounds via determination of molecular weight, electrospray ionization mass spectrometry (ESI-MS) is gaining increasing use. ICP-MS and ESI-MS, usually coupled to a separation technique such as chromatography or capillary electrophoresis, have already been applied to a large number of research problems in such diverse fields as environmental chemistry, nutritional science, and bioinorganic chemistry, but a great deal of work remains to be completed. Current areas of research to which ICP-MS and ESI-MS have been applied are discussed, and the existing instrumentation used to solve speciation problems is described.

Organoelement chemistry: promising growth areas and challenges

NASA Astrophysics Data System (ADS)

Abakumov, G. A.; Piskunov, A. V.; Cherkasov, V. K.; Fedushkin, I. L.; Ananikov, V. P.; Eremin, D. B.; Gordeev, E. G.; Beletskaya, I. P.; Averin, A. D.; Bochkarev, M. N.; Trifonov, A. A.; Dzhemilev, U. M.; D'yakonov, V. A.; Egorov, M. P.; Vereshchagin, A. N.; Syroeshkin, M. A.; Jouikov, V. V.; Muzafarov, A. M.; Anisimov, A. A.; Arzumanyan, A. V.; Kononevich, Yu N.; Temnikov, M. N.; Sinyashin, O. G.; Budnikova, Yu H.; Burilov, A. R.; Karasik, A. A.; Mironov, V. F.; Storozhenko, P. A.; Shcherbakova, G. I.; Trofimov, B. A.; Amosova, S. V.; Gusarova, N. K.; Potapov, V. A.; Shur, V. B.; Burlakov, V. V.; Bogdanov, V. S.; Andreev, M. V.

2018-05-01

The chemistry of organoelement compounds is now one of the most rapidly developing fields of research, regarding both fundamental science and solution of applied problems. This review covers a variety of classes of organoelement compounds, ranging from molecules with highly labile carbon–element bonds to compounds with stable bonds that form the basis of novel structural materials and demonstrates their role in scientific research and industrial production. The use of Grignard reagents in modern organic synthesis and application of catalytic cyclomagnesiation and cycloalumination reactions for the preparation of difficult-to-access metallacycles are considered. The electron transfer processes in redox-active derivatives of Group 14 elements and the role of radical ions in these processes are discussed. Considerable attention is paid to organometallic compounds, first of all, as catalysts; the dynamic nature of catalysis with these compounds is noted. Unusual strained metallacycles of high thermal stability, zirconacyclocumulenes, which also exhibit catalytic activity, are described. Complexes with redox-active ligands that substantially affect the reactivity of the metal centre and directly participate in reactions with various substrates as well as organometallic compounds of lanthanides are considered. Modern environmentally benign methods for the synthesis of organosilicon compounds and production of unique materials based on them are discussed. Particular Sections are devoted to organophosphorus compounds, including those exhibiting therapeutic properties and possessing unusual optical characteristics, and organic chalcogen compounds, which find use as ligands and biologically active molecules. The bibliography includes 1045 references.

Assessment of Metabolome Annotation Quality: A Method for Evaluating the False Discovery Rate of Elemental Composition Searches

PubMed Central

Matsuda, Fumio; Shinbo, Yoko; Oikawa, Akira; Hirai, Masami Yokota; Fiehn, Oliver; Kanaya, Shigehiko; Saito, Kazuki

2009-01-01

Background In metabolomics researches using mass spectrometry (MS), systematic searching of high-resolution mass data against compound databases is often the first step of metabolite annotation to determine elemental compositions possessing similar theoretical mass numbers. However, incorrect hits derived from errors in mass analyses will be included in the results of elemental composition searches. To assess the quality of peak annotation information, a novel methodology for false discovery rates (FDR) evaluation is presented in this study. Based on the FDR analyses, several aspects of an elemental composition search, including setting a threshold, estimating FDR, and the types of elemental composition databases most reliable for searching are discussed. Methodology/Principal Findings The FDR can be determined from one measured value (i.e., the hit rate for search queries) and four parameters determined by Monte Carlo simulation. The results indicate that relatively high FDR values (30–50%) were obtained when searching time-of-flight (TOF)/MS data using the KNApSAcK and KEGG databases. In addition, searches against large all-in-one databases (e.g., PubChem) always produced unacceptable results (FDR >70%). The estimated FDRs suggest that the quality of search results can be improved not only by performing more accurate mass analysis but also by modifying the properties of the compound database. A theoretical analysis indicates that FDR could be improved by using compound database with smaller but higher completeness entries. Conclusions/Significance High accuracy mass analysis, such as Fourier transform (FT)-MS, is needed for reliable annotation (FDR <10%). In addition, a small, customized compound database is preferable for high-quality annotation of metabolome data. PMID:19847304

Magnetically induced electrical transport and dielectric properties of 3d transition elemental substitution at the Mn-site in Nd0.67Ba0.33MnO3 manganites

NASA Astrophysics Data System (ADS)

Sudakshina, B.; Arun, B.; Chandrasekhar, K. Devi; Yang, H. D.; Vasundhara, M.

2018-05-01

We have investigated the temperature dependence of electrical transport and dielectric properties along with magnetoresistance and magneto dielectric behavior in Nd0.67Ba0.33Mn0.9TR0.1O3 (TR= Cr, Fe, Co, Ni, Cu) manganites. All the compounds crystallized into an orthorhombic structure with Imma space group. Nd0.67Ba0.33MnO3 shows insulating to metallic behavior at intermediate temperatures, but, with the substitution of transitional elements it shows insulating in nature, down to lowest temperature measured for all the compounds. Dielectric measurement shows the intrinsic behavior of these lossy materials. A large value of magneto resistance is obtained for all the compounds and considerable amount of magneto-dielectric effect is shown for all the substituted compounds at lower temperatures.

Columbia Accident Investigation Board Report. Volume Two

NASA Technical Reports Server (NTRS)

Barry, J. R.; Jenkins, D. R.; White, D. J.; Goodman, P. A.; Reingold, L. A.

2003-01-01

Volume II of the Report contains appendices that were cited in Volume I. The Columbia Accident Investigation Board produced many of these appendices as working papers during the investigation into the February 1, 2003 destruction of the Space Shuttle Columbia. Other appendices were produced by other organizations (mainly NASA) in support of the Board investigation. In the case of documents that have been published by others, they are included here in the interest of establishing a complete record, but often at less than full page size. Contents include: CAIB Technical Documents Cited in the Report: Reader's Guide to Volume II; Appendix D. a Supplement to the Report; Appendix D.b Corrections to Volume I of the Report; Appendix D.1 STS-107 Training Investigation; Appendix D.2 Payload Operations Checklist 3; Appendix D.3 Fault Tree Closure Summary; Appendix D.4 Fault Tree Elements - Not Closed; Appendix D.5 Space Weather Conditions; Appendix D.6 Payload and Payload Integration; Appendix D.7 Working Scenario; Appendix D.8 Debris Transport Analysis; Appendix D.9 Data Review and Timeline Reconstruction Report; Appendix D.10 Debris Recovery; Appendix D.11 STS-107 Columbia Reconstruction Report; Appendix D.12 Impact Modeling; Appendix D.13 STS-107 In-Flight Options Assessment; Appendix D.14 Orbiter Major Modification (OMM) Review; Appendix D.15 Maintenance, Material, and Management Inputs; Appendix D.16 Public Safety Analysis; Appendix D.17 MER Manager's Tiger Team Checklist; Appendix D.18 Past Reports Review; Appendix D.19 Qualification and Interpretation of Sensor Data from STS-107; Appendix D.20 Bolt Catcher Debris Analysis.

New azole antifungals. 2. Synthesis and antifungal activity of heterocyclecarboxamide derivatives of 3-amino-2-aryl-1-azolyl-2-butanol.

PubMed

Bartroli, J; Turmo, E; Algueró, M; Boncompte, E; Vericat, M L; Conte, L; Ramis, J; Merlos, M; García-Rafanell, J; Forn, J

1998-05-21

A series of 92 azole antifungals containing an amido alcohol unit was synthesized. The nature and substitution of the amide portion was systematically modified in search of improved antifungal activity, especially against filamentous fungi. The compounds were tested in vitro against a variety of clinically important pathogens and in vivo (po) in a murine candidosis model. Thiazole and thiophene carboxamides carrying both a substituted phenyl ring and a small alkyl group were best suited for activity against filamentous fungi. In a subset of these compounds, the amide portion was conformationally locked by means of a pyrimidone ring and it was proven that only an orthogonal orientation of the phenyl ring yields bioactive products. A tendency to display long plasma elimination half-lives was observed in both series. Two compounds, 74 and 107, representative of the open and cyclic amides, respectively, were chosen for further studies, based on their excellent activity in in vivo murine models of candidosis and aspergillosis. This work describes the SARs found within this series. The next paper displays the results obtained in a related series of compounds, the quinazolinones.

Multifaceted processes controlling the distribution of hazardous compounds in the spontaneous combustion of coal and the effect of these compounds on human health.

PubMed

Oliveira, Marcos L S; da Boit, Kátia; Pacheco, Fernanda; Teixeira, Elba C; Schneider, Ismael L; Crissien, Tito J; Pinto, Diana C; Oyaga, Rafael M; Silva, Luis F O

2018-01-01

Pollution generated by hazardous elements and persistent organic compounds that affect coal fire is a major environmental concern because of its toxic nature, persistence, and potential risk to human health. The coal mining activities are growing in the state of Santa Catarina in Brazil, thus the collateral impacts on the health and economy are yet to be analyzed. In addition, the environment is also enduring the collateral damage as the waste materials directly influence the coal by-products applied in civil constructions. This study was aimed to establish the relationships between the composition, morphology, and structural characteristics of ultrafine particles emitted by coal mine fires. In Brazil, the self-combustions produced by Al-Ca-Fe-Mg-Si coal spheres are rich in chalcophile elements (As, Cd, Cu, Hg, Pb, Sb, Se, Sn, and Zn), lithophile elements (Ce, Hf, In, La, Th, and U), and siderophile elements (Co, Cr, Mo, Fe, Ni, and V). The relationship between nanomineralogy and the production of hazardous elements as analyzed by advanced methods for the geochemical analysis of different materials were also delineated. The information obtained by the mineral substance analysis may provide a better idea for the understanding of coal-fire development and assessing the response of particular coal in different combustion processes. Copyright © 2017 Elsevier Inc. All rights reserved.

Thermal Stability Characteristics of Nitroaromatic Compounds.

DTIC Science & Technology

1986-09-15

of a methyl ortho to the nitro group in nitroaromatic compounds introduces a new element into the decomposition behavior of such compounds. Inasmuch...thus without the aid of acid, base or photon catalysis. It is clear that the presence of a methyl ortho to the nitro group in nitroaromatic compounds...particular interest in terms of the substance of this work is the drastic change in reaction product when a methyl group is ortho to the nitro . Furthermore

77 FR 18987 - Approval and Promulgation of Air Quality Implementation Plans; Pennsylvania; Nonattainment New...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-29

... sulfate (SO 4 ); nitrate (NO 3 ); ammonium; elemental carbon; a great variety of organic compounds; and inorganic material (including metals, dust, sea salt, and other trace elements) generally referred to as... the air as a solid or liquid particle (e.g., elemental carbon from diesel engines or fire activities...

Synergistic effect of alloying elements doping and external pressure on the elastic property of Ni{sub 3}Al: A first-principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, C., E-mail: lichun@nwpu.edu.cn; Shang, J.; Yue, Z.

2015-07-15

In this paper, the basic electronic structures and elastic properties of Ni{sub 3}Al doping with alloying elements (Re, Cr, and Mo) under different pressures have been investigated using first-principles calculations based on density functional theory. It is shown that both alloying elements and external applied pressure contribute positively to the elastic properties of Ni{sub 3}Al, and the configurations of the compounds remain almost unchanged. The calculated elastic constants and moduli increase linearly with the pressure increasing from 0 and 40 GPa. Among the alloying elements studied in the present work, Re exhibits the most significant effect compared with the othermore » elements, showing its practical importance. Especially, if both alloying elements doping and pressure effects are considered simultaneously, which has not been considered previously, the studied compounds exhibit an even better elastic property than the simple superposition of the two influences. Such synergistic effect demonstrates promising applications of Ni-based single crystal superalloys in possible extreme mechanical environments.« less

WELDING PROCESS

DOEpatents

Zambrow, J.; Hausner, H.

1957-09-24

A method of joining metal parts for the preparation of relatively long, thin fuel element cores of uranium or alloys thereof for nuclear reactors is described. The process includes the steps of cleaning the surfaces to be jointed, placing the sunfaces together, and providing between and in contact with them, a layer of a compound in finely divided form that is decomposable to metal by heat. The fuel element members are then heated at the contact zone and maintained under pressure during the heating to decompose the compound to metal and sinter the members and reduced metal together producing a weld. The preferred class of decomposable compounds are the metal hydrides such as uranium hydride, which release hydrogen thus providing a reducing atmosphere in the vicinity of the welding operation.

Synthesis, crystal structure and antioxidant evaluation of C-4-acetamidophenylcalix[4]pyrogallolarene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abosadiya, Hamza M.; Hasbullah, Siti Aishah; Yamin, Bohari M.

2015-09-25

C-4-acetamidophenylcalix[4]pyrogallolarene was synthesized by an acid catalyzed condensation reaction of pyrogallol with 4-acetamidobenzaldehyde. The compound was characterized by IR, {sup 1}H and {sup 13}C NMR spectroscopy. Single crystal X-ray analysis revealed that the molecule crystallized in a triclinic system with space group Pī and the unit cell dimensions a= 12.2948(16) Å, b= 13.4423(17) Å, c= 13.5906(18) Å, α =107.549(4)°, β =102.034(4)°, γ =90.535(4)°, Z= 1 and V= 2088.2(5) Å{sup 3}. The macrocyclic calix adopts a chair (C{sub 2h}) conformation and the molecule is associated with eight DMSO molecules of crystallization. Antioxidant test by DPPH method showed that the compound exhibitsmore » good antioxidant activity of about 72%.« less

Tested Demonstrations.

ERIC Educational Resources Information Center

Gilbert, George L., Ed.

1979-01-01

Presents two demonstrations for classroom use related to precipitation of ferrous hydroxide and to variation of vapor pressure with temperature. The former demonstration is simple and useful when discussing solubility of ionic compounds electrode potential of transition elements, and mixed valence compounds. (Author/SA)

Involvement of cyclin D1/CDK4 and pRb mediated by PI3K/AKT pathway activation in Pb{sup 2+}-induced neuronal death in cultured hippocampal neurons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li Chenchen; Xing Tairan; Tang Mingliang

2008-06-15

Lead (Pb) is widely recognized as a neurotoxicant. One of the suggested mechanisms of lead neurotoxicity is apoptotic cell death. And the mechanism by which Pb{sup 2+} causes neuronal death is not well understood. The present study sought to examine the obligate nature of cyclin D1/cyclin-dependent kinase 4 (CDK4), phosphorylation of its substrate retinoblastoma protein (pRb) and its select upstream signal phosphoinositide 3-kinase (PI3K)/AKT pathway in the death of primary cultured rat hippocampal neurons evoked by Pb{sup 2+}. Our data showed that lead treatment of primary hippocampal cultures results in dose-dependent cell death. Inhibition of CDK4 prevented Pb{sup 2+}-induced neuronalmore » death significantly but was incomplete. In addition, we demonstrated that the levels of cyclin D1 and pRb/p107 were increased during Pb{sup 2+} treatment. These elevated expression persisted up to 48 h, returning to control levels after 72 h. We also presented pharmacological and morphological evidences that cyclin D1/CDK4 and pRb/p107 were required for such kind of neuronal death. Addition of the PI3K inhibitor LY294002 (30 {mu}M) or wortmannin (100 nM) significantly rescued the cultured hippocampal neurons from death caused by Pb{sup 2+}. And that Pb{sup 2+}-elicited phospho-AKT (Ser473) participated in the induction of cyclin D1 and partial pRb/p107 expression. These results provide evidences that cell cycle elements play a required role in the death of neurons evoked by Pb{sup 2+} and suggest that certain signaling elements upstream of cyclin D1/CDK4 are modified and/or required for this form of neuronal death.« less

NUCLEAR REACTOR FUEL ELEMENT AND METHOD OF MANUFACTURE

DOEpatents

Brooks, H.

1960-04-26

A description is given for a fuel element comprising a body of uranium metal or an uranium compound dispersed in a matrix material made from magnesium, calcium, or barium and a stainless steel jacket enclosing the body.

Organic compounds and trace elements in fish tissue and bed sediment from streams in the Yellowstone River basin, Montana and Wyoming, 1998

USGS Publications Warehouse

Peterson, David A.; Boughton, Gregory K.

2000-01-01

A comprehensive water-quality investigation of the Yellowstone River Basin began in 1997, under the National Water-Quality Assessment (NAWQA) Program. Twenty-four sampling sites were selected for sampling of fish tissue and bed sediment during 1998. Organic compounds analyzed included organochlorine insecticides and their metabolites and total polychlorinated biphenyls (PCBs) from fish-tissue and bed-sediment samples, and semivolatile organic compounds from bed-sediment samples. A broad suite of trace elements was analyzed from both fish-tissue and bed-sediment samples, and a special study related to mercury also was conducted. Of the 12 organochlorine insecticides and metabolites detected in the fish-tissue samples, the most compounds per site were detected in samples from integrator sites which represent a mixture of land uses. The presence of DDT, and its metabolites DDD and DDE, in fish collected in the Yellowstone Park area likely reflects long-term residual effects from historical DDT-spraying programs for spruce budworm. Dieldrin, chlordane, and other organic compounds also were detected in the fish-tissue samples. The compound p, p'-DDE was detected at 71 percent of the sampling sites, more than any other compound. The concentrations of total DDT in fish samples were low, however, compared to concentrations from historical data from the study area, other NAWQA studies in the Rocky Mountains, and national baseline concentrations. Only 2 of the 27 organochlorine insecticides and metabolites and total PCBs analyzed in bed sediment were detected. Given that 12 of the compounds were detected in fish-tissue samples, fish appeared to be more sensitive indicators of contamination than bed sediment.Concentrations of some trace elements in fish and bed sediment were higher at sites in mineralized areas than at other sites. Concentrations of selenium in fish tissue from some sites were above background levels. Concentrations of arsenic, chromium, copper, and lead in some of the bed-sediment samples potentially exceeded criteria for the protection of aquatic life.

Lattice thermal expansion for normal tetrahedral compound semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Omar, M.S.

2007-02-15

The cubic root of the deviation of the lattice thermal expansion from that of the expected value of diamond for group IV semiconductors, binary compounds of III-V and II-VI, as well as several ternary compounds from groups I-III-VI{sub 2}, II-IV-V{sub 2} and I-IV{sub 2}V{sub 3} semiconductors versus their bonding length are given straight lines. Their slopes were found to be 0.0256, 0.0210, 0.0170, 0.0259, 0.0196, and 0.02840 for the groups above, respectively. Depending on the valence electrons of the elements forming these groups, a formula was found to correlate all the values of the slopes mentioned above to that ofmore » group IV. This new formula which depends on the melting point and the bonding length as well as the number of valence electrons for the elements forming the compounds, will gives best calculated values for lattice thermal expansion for all compounds forming the groups mentioned above. An empirical relation is also found between the mean ionicity of the compounds forming the groups and their slopes mentioned above and that gave the mean ionicity for the compound CuGe{sub 2}P{sub 3} in the range of 0.442.« less

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth's Core Thermodynamic Conditions

NASA Astrophysics Data System (ADS)

Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; Lobanov, Sergey S.; Zaug, Joseph M.; Liu, Hanyu; Greenberg, Eran; Prakapenka, Vitali B.

2018-03-01

Using in situ synchrotron x-ray diffraction and Raman spectroscopy in concert with first principles calculations we demonstrate the synthesis of stable Xe (Fe ,Fe /Ni )3 and XeNi3 compounds at thermodynamic conditions representative of Earth's core. Surprisingly, in the case of both the Xe-Fe and Xe-Ni systems Fe and Ni become highly electronegative and can act as oxidants. The results indicate the changing chemical properties of elements under extreme conditions by documenting that electropositive at ambient pressure elements could gain electrons and form anions.

Use of raw or incubated organic wastes as amendments in reducing pesticide leaching through soil columns.

PubMed

Marín-Benito, J M; Brown, C D; Herrero-Hernández, E; Arienzo, M; Sánchez-Martín, M J; Rodríguez-Cruz, M S

2013-10-01

Soil amendment with organic wastes is becoming a widespread management practice since it can effectively solve the problems of uncontrolled waste accumulation and improve soil quality. However, when simultaneously applied with pesticides, organic wastes can significantly modify the environmental behaviour of these compounds. This study evaluated the effect of sewage sludges (SS), grape marc (GM) and spent mushroom substrates (SMS) on the leaching of linuron, diazinon and myclobutanil in packed columns of a sandy soil with low organic matter (OM) content (<1%). Soil plus amendments had been incubated for one month (1 m) or 12 months (12 m). Data from the experimental breakthrough curves (BTCs) were fitted to the one-dimensional transport model CXTFIT 2.1. All three amendments reduced leaching of linuron and myclobutanil relative to unamended soil. SMS was the most effective in reducing leaching of these two compounds independent of whether soil was incubated for 1 m or 12 m. Soil amendments increased retardation coefficients (Rexp) by factors of 3 to 5 for linuron, 2 to 4 for diazinon and 3 to 5 for myclobutanil relative to unamended soil. Leaching of diazinon was relatively little affected by soil amendment compared to the other two compounds and both SS and SMS amendment with 1m incubation resulted in enhanced leaching of diazinon. The leaching data for linuron and myclobutanil were well described by CXTFIT (mean square error, MSE<4.9·10(-7) and MSE<7.0·10(-7), respectively) whereas those of diazinon were less well fitted (MSE<2.1·10(-6)). The BTCs for pesticides were similar in soils incubated for one month or one year, indicating that the effect of amendment on leaching persists over relatively long periods of time. Copyright © 2013 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Chen; Pinkerton, Frederick E.; Herbst, Jan F.

New magnetic materials containing cerium, iron, and small additions of a third element are disclosed. These materials comprise compounds Ce(Fe.sub.12-xM.sub.x) where x=1-4, having the ThMn.sub.12 tetragonal crystal structure (space group I4/mmm, #139). Compounds with M=B, Al, Si, P, S, Sc, Co, Ni, Zn, Ga, Ge, Zr, Nb, Hf, Ta, and W are identified theoretically, and one class of compounds based on M=Si has been synthesized. The Si cognates are characterized by large magnetic moments (4.pi.M.sub.s greater than 1.27 Tesla) and high Curie temperatures (264.ltoreq.T.sub.c.ltoreq.305.degree. C.). The Ce(Fe.sub.12-xM.sub.x) compound may contain one or more of Ti, V, Cr, and Mo inmore » combination with an M element. Further enhancement in T.sub.c is obtained by nitriding the Ce compounds through heat treatment in N.sub.2 gas while retaining the ThMn.sub.12 tetragonal crystal structure; for example CeFe.sub.10Si.sub.2N.sub.1.29 has T.sub.c=426.degree. C.« less

Nearly ferromagnetic Fermi-liquid behaviour in YFe2Zn20 and high-temperature ferromagnetism of GdFe2Zn20

NASA Astrophysics Data System (ADS)

Jia, S.; Bud'Ko, S. L.; Samolyuk, G. D.; Canfield, P. C.

2007-05-01

One of the historic goals of alchemy was to turn base elements into precious ones. Although the practice of alchemy has been superseded by chemistry and solid-state physics, the desire to dramatically change or tune the properties of a compound, preferably through small changes in stoichiometry or composition, remains. This desire becomes even more compelling for compounds that can be tuned to extremes in behaviour. Here, we report that the RT2Zn20 (R=rare earth and T=transition metal) family of compounds manifests exactly this type of versatility, even though they are more than 85% Zn. By tuning T, we find that YFe2Zn20 is closer to ferromagnetism than elemental Pd, the classic example of a nearly ferromagnetic Fermi liquid. By submerging Gd in this highly polarizable Fermi liquid, we tune the system to a remarkably high-temperature ferromagnetic (TC=86K) state for a compound with less than 5% Gd. Although this is not quite turning lead into gold, it is essentially tuning Zn to become a variety of model compounds.

Bitumoids in the crystalline rocks of the Kola superdeep drillhole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belokon, V.G.

1987-04-01

The genetic regularities in the distribution of organic fuels of various elemental compositions and molecular structures and their relationship to the processes of formation of regional structures present some of the most pressing and complicated problems of modern fossil-fuel geology. Regardless of the difference in molecular structure of the final products of these reactions and the phase state in nature (gases, petroleums, bitumens, lignite, bituminous coal or anthracite), fossil fuels manifest the property of carbon and hydrogen to yield a vast number of compounds with different extents of ordering of the structure, from simple linear compounds (methane and its homologs)more » to cyclic compounds of the graphite series. Karavayev worked out a classification diagram for solid fuels, based on calculation of the variation in the elemental composition of the organic matter. The ratio of hydrogen to carbon atoms, as a reflection of the extent of aromatization of the structure, is taken as a classification criterion. In investigating the earth's crust in the Baltic shield, the Kola superdeep drillhole found organic matter in the form of bitumoids, in the extractable part of which a broad spectrum of compounds was identified. Bitumoids are similar to humites in molecular structure, only somewhat more ordered. This paper applies Karavayev's principle to this type of compound. It was found that the elemental compositions of the organic matter from basement depths down to 10 km show patterns analogous to those from sedimentary basins. 9 references.« less

Process and apparatus for generating elemental sulfur and re-usable metal oxide from spent metal sulfide sorbents

DOEpatents

Ayala, Raul E.; Gal, Eli

1995-01-01

A process and apparatus for generating elemental sulfur and re-usable metal oxide from spent metal-sulfur compound. Spent metal-sulfur compound is regenerated to re-usable metal oxide by moving a bed of spent metal-sulfur compound progressively through a single regeneration vessel having a first and second regeneration stage and a third cooling and purging stage. The regeneration is carried out and elemental sulfur is generated in the first stage by introducing a first gas of sulfur dioxide which contains oxygen at a concentration less than the stoichiometric amount required for complete oxidation of the spent metal-sulfur compound. A second gas containing sulfur dioxide and excess oxygen at a concentration sufficient for complete oxidation of the partially spent metal-sulfur compound, is introduced into the second regeneration stage. Gaseous sulfur formed in the first regeneration stage is removed prior to introducing the second gas into the second regeneration stage. An oxygen-containing gas is introduced into the third cooling and purging stage. Except for the gaseous sulfur removed from the first stage, the combined gases derived from the regeneration stages which are generally rich in sulfur dioxide and lean in oxygen, are removed from the regenerator as an off-gas and recycled as the first and second gas into the regenerator. Oxygen concentration is controlled by adding air, oxygen-enriched air or pure oxygen to the recycled off-gas.

Finite element analysis and simulation of rheological properties of bulk molding compound (BMC)

NASA Astrophysics Data System (ADS)

Ergin, M. Fatih; Aydin, Ismail

2013-12-01

Bulk molding compound (BMC) is one of the important composite materials with various engineering applications. BMC is a thermoset plastic resin blend of various inert fillers, fiber reinforcements, catalysts, stabilizers and pigments that form a viscous, molding compound. Depending on the end-use application, bulk molding compounds are formulated to achieve close dimensional control, flame and scratch resistance, electrical insulation, corrosion and stain resistance, superior mechanical properties, low shrink and color stability. Its excellent flow characteristics, dielectric properties, and flame resistance make this thermoset material well-suited to a wide variety of applications requiring precision in detail and dimensions as well as high performance. When a BMC is used for these purposes, the rheological behavior and properties of the BMC is the main concern. In this paper, finite element analysis of rheological properties of bulk molding composite material was studied. For this purpose, standard samples of composite material were obtained by means of uniaxial hot pressing. 3 point flexural tests were then carried out by using a universal testing machine. Finite element analyses were then performed with defined material properties within a specific constitutive material behavior. Experimental and numerical results were then compared. Good correlation between the numerical simulation and the experimental results was obtained. It was expected with this study that effects of various process parameters and boundary conditions on the rheological behavior of bulk molding compounds could be determined by means of numerical analysis without detailed experimental work.

Alchemical and structural distribution based representation for universal quantum machine learning

NASA Astrophysics Data System (ADS)

Faber, Felix A.; Christensen, Anders S.; Huang, Bing; von Lilienfeld, O. Anatole

2018-06-01

We introduce a representation of any atom in any chemical environment for the automatized generation of universal kernel ridge regression-based quantum machine learning (QML) models of electronic properties, trained throughout chemical compound space. The representation is based on Gaussian distribution functions, scaled by power laws and explicitly accounting for structural as well as elemental degrees of freedom. The elemental components help us to lower the QML model's learning curve, and, through interpolation across the periodic table, even enable "alchemical extrapolation" to covalent bonding between elements not part of training. This point is demonstrated for the prediction of covalent binding in single, double, and triple bonds among main-group elements as well as for atomization energies in organic molecules. We present numerical evidence that resulting QML energy models, after training on a few thousand random training instances, reach chemical accuracy for out-of-sample compounds. Compound datasets studied include thousands of structurally and compositionally diverse organic molecules, non-covalently bonded protein side-chains, (H2O)40-clusters, and crystalline solids. Learning curves for QML models also indicate competitive predictive power for various other electronic ground state properties of organic molecules, calculated with hybrid density functional theory, including polarizability, heat-capacity, HOMO-LUMO eigenvalues and gap, zero point vibrational energy, dipole moment, and highest vibrational fundamental frequency.

Chlorinated, brominated, and perfluorinated compounds, polycyclic aromatic hydrocarbons and trace elements in livers of sea otters from California, Washington, and Alaska (USA), and Kamchatka (Russia)

USGS Publications Warehouse

Kannan, K.; Moon, H.-B.; Yun, S.-H.; Agusa, T.; Thomas, N.J.; Tanabe, S.

2008-01-01

Concentrations of organochlorine pesticides (DDTs, HCHs, and chlordanes), polychlorinated biphenyls (PCBs), polybrominated diphenyl ethers (PBDEs), polycyclic aromatic hydrocarbons (PAHs), perfluorinated compounds (PFCs), and 20 trace elements were determined in livers of 3- to 5-year old stranded sea otters collected from the coastal waters of California, Washington, and Alaska (USA) and from Kamchatka (Russia). Concentrations of organochlorine pesticides, PCBs, and PBDEs were high in sea otters collected from the California coast. Concentrations of DDTs were 10-fold higher in California sea otters than in otters from other locations; PCB concentrations were 5-fold higher, and PBDE concentrations were 2-fold higher, in California sea otters than in otters from other locations. Concentrations of PAHs were higher in sea otters from Prince William Sound than in sea otters from other locations. Concentrations of several trace elements were elevated in sea otters collected from California and Prince William Sound. Elevated concentrations of Mn and Zn in sea otters from California and Prince William Sound were indicative of oxidative stress-related injuries in these two populations. Concentrations of all of the target compounds, including trace elements, that were analyzed in sea otters from Kamchatka were lower than those found from the US coastal locations. ?? The Royal Society of Chemistry.

Construction of 2,4,6-Trinitrotoluene Biosensors with Novel Sensing Elements from Escherichia coli K-12 MG1655.

PubMed

Tan, Junjie; Kan, Naipeng; Wang, Wei; Ling, Jingyi; Qu, Guolong; Jin, Jing; Shao, Yu; Liu, Gang; Chen, Huipeng

2015-06-01

Detection of 2,4,6-trinitrotoluene (TNT) has been extensively studied since it is a common explosive filling for landmines, posing significant threats to the environment and human safety. The rapid advances in synthetic biology give new hope to detect such toxic and hazardous compounds in a more sensitive and safe way. Biosensor construction anticipates finding sensing elements able to detect TNT. As TNT can induce some physiological responses in E. coli, it may be useful to define the sensing elements from E. coli to detect TNT. An E. coli MG1655 genomic promoter library containing nearly 5,400 elements was constructed. Five elements, yadG, yqgC, aspC, recE, and topA, displayed high sensing specificity to TNT and its indicator compounds 1,3-DNB and 2,4-DNT. Based on this, a whole cell biosensor was constructed using E. coli, in which green fluorescent protein was positioned downstream of the five sensing elements via genetic fusion. The threshold value, detection time, EC200 value, and other aspects of five sensing elements were determined and the minimum responding concentration to TNT was 4.75 mg/L. According to the synthetic biology, the five sensing elements enriched the reservoir of TNT-sensing elements, and provided a more applicable toolkit to be applied in genetic routes and live systems of biosensors in future.

Chemical characterization and toxicity of particulate matter emissions from roadside trash combustion in urban India

NASA Astrophysics Data System (ADS)

Vreeland, Heidi; Schauer, James J.; Russell, Armistead G.; Marshall, Julian D.; Fushimi, Akihiro; Jain, Grishma; Sethuraman, Karthik; Verma, Vishal; Tripathi, Sachi N.; Bergin, Michael H.

2016-12-01

Roadside trash burning is largely unexamined as a factor that influences air quality, radiative forcing, and human health even though it is ubiquitously practiced across many global regions, including throughout India. The objective of this research is to examine characteristics and redox activity of fine particulate matter (PM2.5) associated with roadside trash burning in Bangalore, India. Emissions from smoldering and flaming roadside trash piles (n = 24) were analyzed for organic and elemental carbon (OC/EC), brown carbon (BrC), and toxicity (i.e. redox activity, measured via the dithiothreitol "DTT" assay). A subset of samples (n = 8) were further assessed for toxicity by a cellular assay (macrophage assay) and also analyzed for trace organic compounds. Results show high variability of chemical composition and toxicity between trash-burning emissions, and characteristic differences from ambient samples. OC/EC ratios for trash-burning emissions range from 0.8 to 1500, while ambient OC/EC ratios were observed at 5.4 ± 1.8. Trace organic compound analyses indicate that emissions from trash-burning piles were frequently composed of aromatic di-acids (likely from burning plastics) and levoglucosan (an indicator of biomass burning), while the ambient sample showed high response from alkanes indicating notable representation from vehicular exhaust. Volume-normalized DTT results (i.e., redox activity normalized by the volume of air pulled through the filter during sampling) were, unsurprisingly, extremely elevated in all trash-burning samples. Interestingly, DTT results suggest that on a per-mass basis, fresh trash-burning emissions are an order of magnitude less redox-active than ambient air (13.4 ± 14.8 pmol/min/μgOC for trash burning; 107 ± 25 pmol/min/μgOC for ambient). However, overall results indicate that near trash-burning sources, exposure to redox-active PM can be extremely high.

Characterization of PM2.5 in Guangzhou, China: uses of organic markers for supporting source apportionment.

PubMed

Wang, Jingzhi; Ho, Steven Sai Hang; Ma, Shexia; Cao, Junji; Dai, Wenting; Liu, Suixin; Shen, Zhenxing; Huang, Rujin; Wang, Gehui; Han, Yongming

2016-04-15

Organic carbon (OC), elemental carbon (EC), and non-polar organic compounds including n-alkanes (n-C14-n-C40), polycyclic aromatic hydrocarbons (PAHs), phthalate esters (PAEs) and hopanes were quantified in fine particulate (PM2.5), which were collected in urban area of Guangzhou, China in winter and summer in 2012/2013. The pollutants levels were well comparable with the data obtained in previous studies in Pearl River Delta (PRD) region but much lower than most northern Chinese megacities. The contribution of EC to PM2.5 and OC/EC ratio suggest that the pollution sources were relatively consistent in GZ between the two seasons. Benzo[a]pyrene (BaP) was the most abundant PAHs, which were 4.9 and 1.0ng/m(3) on average, accounting for 10.7% and 9.1% to the total quantified PAHs in winter and summer, respectively. The total concentrations of PAEs ranged from 289.1 to 2435ng/m(3) and from 102.4 to 1437ng/m(3), respectively, in winter and summer. Di-n-butyl phthalate (DBP) was the most dominant PAEs. The ambient levels of PAEs could be partly attributed to the widespread uses of the household products, municipal garbage compressing, sewage, and external painting material on the building. Source apportionment for OC with chemical mass balance (CMB) model demonstrated coal combustion, vehicle emission, cooking, and secondary organic compounds (SOC) formation were the four major pollution sources. Both of the indices of n-alkanes and diagnostic PAHs ratios support that anthropogenic sources such as vehicle emission and coal combustion were the significant pollution sources with some extents from epicuticular waxes by terrestrial plants. The ratio of hopanes to EC proved the influences from vehicle emission, and displayed a certain degree of the air aging in the Guangzhou ambient air. Copyright © 2016 Elsevier B.V. All rights reserved.

Phytotoxicity, structural and computational analysis of 2-methyl-1,5-diarylpentadienones

NASA Astrophysics Data System (ADS)

Din, Zia Ud; Rodrigues-Filho, Edson; de Cassia Pereira, Viviane; Gualtieri, Sonia Cristina Juliano; Deflon, Victor Marcelo; da Silva Maia, Pedro Ivo; Kuznetsov, Aleksey E.

2017-08-01

In our studies aimed to produce new chemicals used in weed control, 2-methyl-1,5-diarylpentadienones were synthesized by the reaction of p-methoxybenzaldehyde, p-nitrobenzaldehyde and p-N,N-dimethylbenzaldehyde, respectively, with 2-butanone, resulting in four model compounds. The phytotoxicity of these compounds against wheat coleoptiles and Sesame seedling was observed at μM concentrations, indicating good potential for their usage in weed management in the field. Spectroscopic and computational studies were performed in order to gain understanding on their mechanisms of action and to clarify some structural complexities due existence of conformers and substituent effects. These compounds probably act as hydroxyphenylpyruvate dioxygenase inhibitors. The tested compounds were characterized by spectroscopic and single crystal X-ray diffraction analyses. Solid crystalline state of the compound A (2-Methyl-1-(p-methophyphenyl)-5-(phenyl)-diarylpentadienone) is observed in the monoclinic space group P21/c with unit cell dimensions a = 14.3366(4) Å, b = 11.3788(4) Å, c = 9.6319(3) Å, β = 96.596, V = 1560.88(9) Å3 and Z = 4. Compound C (2-Methyl-1-(p-methophyphenyl)-5-(p-nitrophenyl)-diarylpentadienone) crystallizes in the monoclinic space group P21/c with unit cell dimensions a = 17.8276(9) Å, b = 7.3627(4) Å, c = 12.9740(6) Å, β = 107.6230(10), V = 1623.04(14) Å3 and Z = 4. LC-UV-MS analysis furnished important data helpful for their characterization. The spectroscopic data and computational (DFT) analysis revealed the fact that each of the compounds A-D occurs in solution as four conformers.

Fabrication and electrical characterization of Al/diazo compound containing polyoxy chain/p-Si device structure

NASA Astrophysics Data System (ADS)

Birel, Ozgul; Kavasoglu, Nese; Kavasoglu, A. Sertap; Dincalp, Haluk; Metin, Bengul

2013-03-01

Diazo-compounds are important class of chemical compounds in terms of optical and electronic properties which make them potentially attractive for device applications. Diazo compound containing polyoxy chain has been deposited on p-Si. Current-voltage characteristics of Al/diazo compound containing polyoxy chain/p-Si structure present rectifying behaviour. The Schottky barrier height (SBH), diode factor (n), reverse saturation current (Io), interface state density (Nss) of Al/diazo compound containing polyoxy chain/p-Si structure have been calculated from experimental forward bias current-voltage data measured in the temperature range 100-320 K and capacitance-voltage data measured at room temperature and 1 MHz. The calculated values of SBH have ranged from 0.041 and 0.151 eV for the high and low temperature regions. Diode factor values fluctuate between the values 14 and 18 with temperature. Such a high diode factors stem from disordered interface layer in a junction structure as stated by Brötzmann et al. [M. Brötzmann, U. Vetter, H. Hofsäss, J. Appl. Phys. 106 (2009) 063704]. The calculated values of saturation current have ranged from 3×10-11 A to 2.79×10-7 A and interface state density have ranged from 5×1011 eV-1 cm-2 and 4×1013 eV-1 cm-2 as temperature increases. Results show that Al/diazo compound containing polyoxy chain/p-Si structure is a valuable candidate for device applications in terms of low reverse saturation current and low interface state density.

Parabolic single-crystal diamond compound refractive lenses for coherent x-ray imaging (Conference Presentation)

NASA Astrophysics Data System (ADS)

Terentyev, Sergey; Blank, Vladimir D.; Polyakov, Sergey; Zholudev, Sergey; Snigirev, Anatoly A.; Polikarpov, Maxim; Kolodziej, Tomasz; Qian, Jun; Zhou, Hua; Shvyd'ko, Yuri V.

2016-09-01

We demonstrate parabolic single-crystal diamond compound refractive lenses [1] designed for coherent x-ray imaging resilient to extreme thermal and radiation loading expected from next generation light sources. To ensure the preservation of coherence and resilience, the lenses are manufactured from the highest-quality single-crystalline synthetic diamond material grown by a high-pressure high-temperature technique. Picosecond laser milling is applied to machine lenses to parabolic shapes with a 1-micron precision and surface roughness. A compound refractive lens comprised of six lenses with a radius of curvature R=200 microns at the vertex of the parabola and a geometrical aperture A=900 microns focuses 10 keV x-ray photons from an undulator source at the Advanced Photon Source facility to a focal spot size of 10x40 microns^2 with a gain factor of 100. [1] S. Terentyev, V. Blank, S. Polyakov, S. Zholudev, A. Snigirev, M. Polikarpov, T. Kolodziej, J. Qian, H. Zhou, and Yu. Shvyd'ko Applied Physics Letters 107, 111108 (2015); doi: 10.1063/1.4931357

Estimation of the lower flammability limit of organic compounds as a function of temperature.

PubMed

Rowley, J R; Rowley, R L; Wilding, W V

2011-02-15

A new method of estimating the lower flammability limit (LFL) of general organic compounds is presented. The LFL is predicted at 298 K for gases and the lower temperature limit for solids and liquids from structural contributions and the ideal gas heat of formation of the fuel. The average absolute deviation from more than 500 experimental data points is 10.7%. In a previous study, the widely used modified Burgess-Wheeler law was shown to underestimate the effect of temperature on the lower flammability limit when determined in a large-diameter vessel. An improved version of the modified Burgess-Wheeler law is presented that represents the temperature dependence of LFL data determined in large-diameter vessels more accurately. When the LFL is estimated at increased temperatures using a combination of this model and the proposed structural-contribution method, an average absolute deviation of 3.3% is returned when compared with 65 data points for 17 organic compounds determined in an ASHRAE-style apparatus. Copyright © 2010 Elsevier B.V. All rights reserved.

Simultaneous assessments of occurrence, ecological, human health, and organoleptic hazards for 77 VOCs in typical drinking water sources from 5 major river basins, China.

PubMed

Chen, Xichao; Luo, Qian; Wang, Donghong; Gao, Jijun; Wei, Zi; Wang, Zijian; Zhou, Huaidong; Mazumder, Asit

2015-11-01

Owing to the growing public awareness on the safety and aesthetics in water sources, more attention has been given to the adverse effects of volatile organic compounds (VOCs) on aquatic organisms and human beings. In this study, 77 target VOCs (including 54 common VOCs, 13 carbonyl compounds, and 10 taste and odor compounds) were detected in typical drinking water sources from 5 major river basins (the Yangtze, the Huaihe, the Yellow, the Haihe and the Liaohe River basins) and their occurrences were characterized. The ecological, human health, and olfactory assessments were performed to assess the major hazards in source water. The investigation showed that there existed potential ecological risks (1.30 × 10 ≤ RQtotals ≤ 8.99 × 10) but little human health risks (6.84 × 10(-7) ≤ RQtotals ≤ 4.24 × 10(-4)) by VOCs, while that odor problems occurred extensively. The priority contaminants in drinking water sources of China were also listed based on the present assessment criteria. Copyright © 2015 Elsevier Ltd. All rights reserved.

Integrative taxonomy of the fly orchid group: insights from chemical ecology

NASA Astrophysics Data System (ADS)

Joffard, Nina; Buatois, Bruno; Schatz, Bertrand

2016-10-01

Several authors have recently stressed the need to develop an integrative approach in taxonomy, but studies applying such an approach to Mediterranean orchids are scarce. In sexually deceptive orchids from the taxonomically difficult genus Ophrys, pollination is specific and performed by male insects attracted to the flowers by sex pheromone-mimicking floral scents. Floral compounds are therefore of primary importance for reproductive isolation and species delimitations in this genus. In the fly orchid group, molecular, morphological, and ecological characters have been extensively studied, but a comprehensive survey of floral scents is still lacking. In the present study, the blends of floral compounds of its three members, Ophrys insectifera, Ophrys aymoninii, and Ophrys subinsectifera, were extracted and analyzed by gas chromatography-mass spectrometry. A total of 107 compounds were found, with a majority of saturated and unsaturated hydrocarbons. Significant differentiation, both qualitative and quantitative, was found among the three taxa. This result, pooled with those from the literature, forms a comprehensive and congruent dataset that allows us to elucidate the taxonomic rank of the three members of the fly orchid group.

Changes in element accumulation, phenolic metabolism, and antioxidative enzyme activities in the red-skin roots of Panax ginseng.

PubMed

Zhou, Ying; Yang, Zhenming; Gao, Lingling; Liu, Wen; Liu, Rongkun; Zhao, Junting; You, Jiangfeng

2017-07-01

Red-skin root disease has seriously decreased the quality and production of Panax ginseng (ginseng). To explore the disease's origin, comparative analysis was performed in different parts of the plant, particularly the epidermis, cortex, and/or fibrous roots of 5-yr-old healthy and diseased red-skin ginseng. The inorganic element composition, phenolic compound concentration, reactive oxidation system, antioxidant concentrations such as ascorbate and glutathione, activities of enzymes related to phenolic metabolism and oxidation, and antioxidative system particularly the ascorbate-glutathione cycle were examined using conventional methods. Aluminum (Al), iron (Fe), magnesium, and phosphorus were increased, whereas manganese was unchanged and calcium was decreased in the epidermis and fibrous root of red-skin ginseng, which also contained higher levels of phenolic compounds, higher activities of the phenolic compound-synthesizing enzyme phenylalanine ammonia-lyase and the phenolic compound oxidation-related enzymes guaiacol peroxidase and polyphenoloxidase. As the substrate of guaiacol peroxidase, higher levels of H 2 O 2 and correspondingly higher activities of superoxide dismutase and catalase were found in red-skin ginseng. Increased levels of ascorbate and glutathione; increased activities of l-galactose 1-dehydrogenase, ascorbate peroxidase, ascorbic acid oxidase, and glutathione reductase; and lower activities of dehydroascorbate reductase, monodehydroascorbate reductase, and glutathione peroxidase were found in red-skin ginseng. Glutathione- S -transferase activity remained constant. Hence, higher element accumulation, particularly Al and Fe, activated multiple enzymes related to accumulation of phenolic compounds and their oxidation. This might contribute to red-skin symptoms in ginseng. It is proposed that antioxidant and antioxidative enzymes, especially those involved in ascorbate-glutathione cycles, are activated to protect against phenolic compound oxidation.

Metal-Element Compounds of Titanium, Zirconium, and Hafnium as Pyrotechnic Fuels

DTIC Science & Technology

2015-05-04

including ceramic materials in this role has been far less common. Following the development of boron carbide-based pyrotechnics in our laboratories, we...ameliorate these problems. Commercially available group 4 compounds containing hydrogen, boron , carbon, nitrogen, silicon, and phosphorus were obtained for...predicted behavior suggests that these compounds may be useful for a variety of pyrotechnic applications. 1. INTRODUCTION The recent use of boron

Improved Single-Source Precursors for Solar-Cell Absorbers

NASA Technical Reports Server (NTRS)

Banger, Kulbinder K.; Harris, Jerry; Hepp, Aloysius

2007-01-01

Improved single-source precursor compounds have been invented for use in spray chemical vapor deposition (spray CVD) of chalcopyrite semiconductor absorber layers of thin-film cells. A "single-source precursor compound" is a single molecular compound that contains all the required elements, which when used under the spray CVD conditions, thermally decomposes to form CuIn(x)Ga(1-x)S(y)Se(2-y).

Radiation chemistry of salicylic and methyl substituted salicylic acids: Models for the radiation chemistry of pharmaceutical compounds

NASA Astrophysics Data System (ADS)

Ayatollahi, Shakiba; Kalnina, Daina; Song, Weihua; Turks, Maris; Cooper, William J.

2013-11-01

Salicylic acid and its derivatives are components of many medications and moieties found in numerous pharmaceutical compounds. They have been used as models for various pharmaceutical compounds in pharmacological studies, for the treatment of pharmaceuticals and personal care products (PPCPs), and, reactions with natural organic matter (NOM). In this study, the radiation chemistry of benzoic acid, salicylic acid and four methyl substituted salicylic acids (MSA) is reported. The absolute bimolecular reaction rate constants for hydroxyl radical reaction with benzoic and salicylic acids as well as 3-methyl-, 4-methyl-, 5-methyl-, and 6-methyl-salicylic acid were determined (5.86±0.54)×109, (1.07±0.07)×1010, (7.48±0.17)×109, (7.31±0.29)×109, (5.47±0.25)×109, (6.94±0.10)×109 (M-1 s-1), respectively. The hydrated electron reaction rate constants were measured (3.02±0.10)×109, (8.98±0.27)×109, (5.39±0.21)×109, (4.33±0.17)×109, (4.72±0.15)×109, (1.42±0.02)×109 (M-1 s-1), respectively. The transient absorption spectra for the six model compounds were examined and their role as model compounds for the radiation chemistry of pharmaceuticals investigated.

Nanoengineering Testbed for Nanosolar Cell and Piezoelectric Compounds

DTIC Science & Technology

2012-02-29

element mesh. The third model was a 3D finite element mesh that included complete geometric representation of Berkovich tip. This model allows for a...height of the specimen. These simulations suggest the proper specimen size to approximate a body of semi-infinite extent for a given indentation depth...tip nanoindentation model was the third and final finite element mesh created for analysis and comparison. The material model and the finite element

Basics of Compounding: 3D Printing: Pharmacy Applications, Part 3: Compounding, Formulation Considerations, and the Future.

PubMed

Allen, Loyd V

2017-01-01

3D printing is a standard tool in the automotive, aerospace, and consumer goods in industry and is gaining traction in pharmaceutical manufacturing, which has introduced a new element into dosage form development. This article, which represents part 3 of a 3-part article on the topic of 3D printing, discusses the compounding, formulation considerations, and the future of 3D printing. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Production development of organic nonflammable spacecraft potting encapsulating and conformal coating compounds. Volume 2: Tables

NASA Technical Reports Server (NTRS)

Lieberman, S. L.

1974-01-01

Tables are presented which include: material properties; elemental analysis; silicone RTV formulations; polyester systems and processing; epoxy preblends and processing; urethane materials and processing; epoxy-urethanes elemental analysis; flammability test results, and vacuum effects.

Small Column Testing of Superlig 639 for Removal of 99Tc from Hanford Tank Waste Envelope C (Tank 241-AN-107)

DOE Office of Scientific and Technical Information (OSTI.GOV)

DL Blanchard; DE Kurath; BM Rapko

The current BNFL Inc. flow sheet for pretreating Hanford High-Level tank wastes includes the use of Superlig(reg.sign)639 (SL-639) in a dual column system for removing technetium-99 ({sup 99}Tc) from the aqueous fraction of the waste. This sorbent material has been developed and supplied by IBC Advanced Technologies, Inc., American Fork, UT. This report documents the results of testing the SL-639 sorbent with diluted waste [Na{sup +}] {approx} 5 M from Tank 241-AN-107 (an Envelope C waste, abbreviated AN-107) at Battelle Northwest Laboratories (BNW). The equilibrium behavior was assessed with batch contacts between the sorbent and the waste. Two AN-107 samplesmore » were used: (1) an archived sample from previous testing and (2) a more recent sample collected specifically for BNFL. A portion of the archive sample and all of the BNFL sample were treated to remove Sr-90 and transuranic elements (TRU). All samples had also been Cs decontaminated by ion exchange (IX), and were spiked with a technetium-95m ({sup 95m}Tc) pertechnetate tracer, {sup 95m}TcO{sub 4}{sup -}.The TcO{sub 4}{sup -} and total Tc K{sub d} values, assumed equal to the {sup 95m}Tc and {sup 99}Tc K{sub d}'s, respectively, are shown in Table S1. Values are averages of duplicates, which showed significant scatter. The total Tc K{sub d} for the BNFL sample is much lower than the TcO{sub 4}{sup -}, indicating that a large fraction of the {sup 99}Tc is not pertechnetate.« less

Laser-induced breakdown spectroscopy for quantitative spectrochemical analysis of geological materials: effects of the matrix and simultaneous determination.

PubMed

Anzano, Jesús M; Villoria, Mark A; Ruíz-Medina, Antonio; Lasheras, Roberto J

2006-08-11

A microscopic laser-induced breakdown spectrometer was used to evaluate the analytical matrix effect commonly observed in the analysis of geological materials. Samples were analyzed in either the powder or pressed pellet forms. Calibration curves of a number of iron and aluminum compounds showed a linear relationship between the elemental concentration and peak intensity. A direct determination of elemental content can thus be made from extrapolation on these calibration curves. To investigate matrix effects, synthetic model samples were prepared from various iron and aluminum compounds spiked with SiO2 and CaCO3. The addition of these matrices had a pronounced analytical effect on those compounds prepared as pressed pellets. However, results indicated the absence of matrix effects when the samples were presented to the laser as loose powders on tape and results were compared to certified values, indicating the reliability of this approach for accurate analysis, provided the sample particle diameters are greater than approximately 100 microm. Finally, the simultaneous analysis of two different elements was demonstrated using powders on tape.

The role of phosphorus in chemical evolution.

PubMed

Maciá, Enrique

2005-08-01

In this tutorial review we consider the role of phosphorus and its compounds within the context of chemical evolution in galaxies. Following an interdisciplinary approach we first discuss the position of P among the main biogenic elements by considering its relevance in most essential biochemical functions as well as its peculiar chemistry under different physicochemical conditions. Then we review the phosphorus distribution in different cosmic sites, such as terrestrial planets, interplanetary dust particles, cometary dust, planetary atmospheres and the interstellar medium (ISM). In this way we realize that this element is both scarce and ubiquitous in the universe. These features can be related to the complex nucleosynthesis of P nuclide in the cores of massive stars under explosive conditions favouring a wide distribution of this element through the ISM, where it would be ready to react with other available atoms. A general tendency towards more oxidized phosphorus compounds is clearly appreciated as chemical evolution proceeds from circumstellar and ISM materials to protoplanetary and planetary condensed matter phases. To conclude we discuss some possible routes allowing for the incorporation of phosphorus compounds of prebiotic interest during the earlier stages of solar system formation.

A Dynamic Analysis of Piezoelectric Strained Elements.

DTIC Science & Technology

1992-12-01

Type Quartz Crystal Plates ", IEEE SU- 29 (3), pp. 1 2 1 - 1 2 7 (1982). [107] L.K.Chau,High -frequency Long-wave Vibrations of Piezoelectric Ceramic ... Plate Excited with Voltage", Acta Acustica, 8 (5), pp. 300-310 (1983). [265] M.Ting-rong, "Forced Vibrations of Metal-Piezo- ceramic Thin Composite... ceramic and Metal Composite Thin Circular Plate with Different Diameter for Each Layer", Acta Acustica, 9 (5), pp. 298-310 (1984); Chinese J. Acoust., 2(3

Analysis of Minuteman Missile Crew Member Attitudes Toward Present Minuteman Education Program and Possible Alternatives.

DTIC Science & Technology

1980-06-01

TO0WARD PRESLT NUE N - DUCATION PROGRADF AND T0SMBLE 6. PERFORMING GIG. 0114:00RT NUMneRt 11. CONTRACT ORt GRANT NuUSERf(s1 t~ Donald L. i emp Captain...USAF, M4SC *Andrew T.//Rybacr Captain, USAF 9. PERFORMING ORGANIZATION NAME AND AOORES~r10 PROGRAM ELEMENT. PROJECT. TASK School of Systems and...106 38. MMEP IMPROVES DUTY PERFORMANCE (X2 One Sample Test) .. .......... . 107 39. MMEP IMPROVES DUTY PERFORMANCE (Questionnaire Data

Testing and Validation of High Density Resequencing Microarray for Broad Range Biothreat Agents Detection

DTIC Science & Technology

2009-08-11

Competing Interests: One of the contributing authors : Clark Tibbetts, is the Executive Vice President and Chief Technology Officer of Tessarae, LLC...Detection 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR (S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7...N/A 1021 ng No detection Sin nombre Bunyaviridae III 1021 ng Pulmonary syndrome hantavirus strain Convict Creek 107 1CCHFV = Crimean-Congo hemorrhagic

The presence and distribution of polycyclic aromatic hydrocarbons and inorganic elements in water and lakebed materials and the potential for bioconcentration in biota at established sampling sites on Lake Powell, Utah and Arizona

USGS Publications Warehouse

Schonauer, Kurt T.; Hart, Robert J.; Antweiler, Ronald C.

2014-01-01

The National Park Service is responsible for monitoring the effects of visitor use on the quality of water, lakebed material (bottom sediments), and biota, in Lake Powell, Utah and Arizona. A sampling program was begun in 2010 to assess the presence, distribution, and concentrations of organic and inorganic compounds in the water column and bottom sediment. In response to an Environmental Impact Statement regarding personal watercraft and as a continuation from previous studies by the U.S. Geological Survey and the National Park Service, Glen Canyon National Recreation Area, water samples were collected and analyzed for polycyclic aromatic hydrocarbons (PAHs) using semipermeable membrane devices and inorganic elements using a fixed-bottle sampler deployed at established monitoring sites during 2010 and 2011. Lakebed material samples were also analyzed for polycyclic aromatic hydrocarbons and inorganic elements, some of which could be harmful to aquatic biota if present at concentrations above established aquatic life criteria. Of the 44 PAH compounds analyzed, 26 individual compounds were detected above the censoring limit in the water column by semipermeable membrane devices. The highest number of compounds detected were at Lone Rock Beach, Wahweap Marina, Rainbow Bridge National Monument, and Antelope Marina which are all located in the southern part of Lake Powell where visitation and boat use is high. Because PAHs can remain near their source, the potential for bioconcentration is highest near these sites. The PAH compound found in the highest concentration was phenol (5,902 nanograms per liter), which is included in the U.S. Environmental Protection Agency’s priority pollutants list. The dissolved inorganic chemistry of water samples measured at the sampling sites in Lake Powell defined three different patterns of elements: (1) concentrations were similar between sites in the upper part of the lake near Farley Canyon downstream to Halls Crossing Marina, a distance of about 36 lake miles, (2) concentrations varied depending on the element between Halls Crossing Marina downstream to the mouth of the Escalante River, a distance of about 33 lake miles, and (3) concentrations were similar between sites from below the mouth of the Escalante River to Glen Canyon Dam, a distance of about 68 lake miles. Analysis of lakebed bottom sediment material samples detected PAH compounds at all sampling sites except at Halls Crossing Marina, Stanton Creek, and Forgotten Canyon. Twenty-four of 44 PAHs analyzed in lakebed material were detected above the reporting limit. Perylene was the most prevalent compound detected above the reporting limit in lakebed material and was detected at three sampling sites. Concentrations of perylene ranged from an estimate of 24.0 to 47.9 micrograms per kilogram (μg/kg). Fluoranthene had the highest concentration of any PAH and was detected at the Wahweap Marina with a concentration of 565 μg/kg. The highest sum of concentrations for all compounds found in lakebed material samples at one site was at the Wahweap Marina, which had concentrations five times higher than the next highest site. The three major tributaries to Lake Powell—the Colorado, Escalante, and San Juan Rivers—all showed elevated concentrations of inorganic elements in their delta sediments for most elements relative to the majority of the sediment samples taken from the lake itself. However, there were four lake sites that had concentrations for most inorganic elements that equaled or exceeded those of the tributaries. Two of these sites were at the northeast part of the lake, nearest to the Colorado River as it enters Lake Powell (Farley Canyon and Blue Notch Canyon), one was at the Escalante River below 50-Mile Canyon, and other was at Antelope Marina.

Increasing low frequency sound attenuation using compounded single layer of sonic crystal

NASA Astrophysics Data System (ADS)

Gulia, Preeti; Gupta, Arpan

2018-05-01

Sonic crystals (SC) are man-made periodic structures where sound hard scatterers are arranged in a crystalline manner. SC reduces noise in a particular range of frequencies called as band gap. Sonic crystals have a promising application in noise shielding; however, the application is limited due to the size of structure. Particularly for low frequencies, the structure becomes quite bulky, restricting its practical application. This paper presents a compounded model of SC, which has the same overall area and filling fraction but with increased low frequency sound attenuation. Two cases have been considered, a three layer SC and a compounded single layer SC. Both models have been analyzed using finite element simulation and plane wave expansion method. Band gaps for periodic structures have been obtained using both methods which are in good agreement. Further, sound transmission loss has been evaluated using finite element method. The results demonstrate the use of compounded model of Sonic Crystal for low frequency sound attenuation.

Chemical studies of elements with Z ⩾ 104 in gas phase

NASA Astrophysics Data System (ADS)

Türler, Andreas; Eichler, Robert; Yakushev, Alexander

2015-12-01

Chemical investigations of superheavy elements in the gas-phase, i.e. elements with Z ≥ 104, allow assessing the influence of relativistic effects on their chemical properties. Furthermore, for some superheavy elements and their compounds quite unique gas-phase chemical properties were predicted. The experimental verification of these properties yields supporting evidence for a firm assignment of the atomic number. Prominent examples are the high volatility observed for HsO4 or the very weak interaction of Cn with gold surfaces. The unique properties of HsO4 were exploited to discover the doubly-magic even-even nucleus 270Hs and the new isotope 271Hs. The combination of kinematic pre-separation and gas-phase chemistry allowed gaining access to a new class of relatively fragile compounds, the carbonyl complexes of elements Sg through Mt. A not yet resolved issue concerns the interaction of Fl with gold surfaces. While competing experiments agree on the fact that Fl is a volatile element, there are discrepancies concerning its adsorption on gold surfaces with respect to its daughter Cn. The elucidation of these and other questions amounts to the fascination that gas-phase chemical investigations exert on current research at the extreme limits of chemistry today.

Simultaneous analysis by Quadrupole-Orbitrap mass spectrometry and UHPLC-MS/MS for the determination of sedative-hypnotics and sleep inducers in adulterated products.

PubMed

Lee, Ji Hyun; Park, Han Na; Choi, Ji Yeon; Kim, Nam Sook; Park, Hyung-Joon; Park, Seong Soo; Baek, Sun Young

2017-12-01

Adulterated products are continuously detected in society and cause problems. In this study, we developed and validated a method for determining synthetic sedative-hypnotics and sleep inducers, including barbital, benzodiazepam, zolpidem, and first-generation antihistamines, in adulterated products using Quadrupole-Orbitrap mass spectrometry and ultrahigh performance liquid chromatography with tandem mass spectrometry. In Quadrupole-Orbitrap mass spectrometry analysis, target compounds were confirmed using a combination of retention time, mass tolerance, mass accuracy, and fragment ions. For quantification, several validation parameters were employed using ultrahigh performance liquid chromatography with tandem mass spectrometry. The limit of detection and limit of quantitation was 0.05-53 and 0.17-177 ng/mL, respectively. The correlation coefficient for linearity was more than 0.995. The intra- and interassay accuracies were 86-110 and 84-111%, respectively. Their precision values were evaluated as within 4.0 (intraday) and 10.7% (interday). Mean recoveries of target compounds in adulterated products ranged from 85 to 116%. The relative standard deviation of stability was less than 10.7% at 4°C for 48 h. The 144 adulterated products obtained over 3 years (2014-2016) from online and in-person vendors were tested using established methods. After rapidly screening with Quadrupole-Orbitrap mass spectrometry, the detected samples were quantified using ultrahigh performance liquid chromatography with tandem mass spectrometry. Two of them were adulterated with phenobarbital. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

ASTROCULTURE(tm) Commercial Plant Growth Unit and Glove Box Insert

NASA Technical Reports Server (NTRS)

Zhou, Wei-Jia; Lambing, Steve (Technical Monitor)

2002-01-01

Two commercial plant investigations will be conducted during the STS-107 mission: living flower essential oil production and gene transfer. The research will be done using the ASTROCULTURE (trademark) hardware, which builds on similar experiments flown in the past on the space shuttle. This research will investigate how microgravity might affect the formation of the volatile chemical compounds - the essential oils - produced by two different types of living flowers. The flowers will be cultured in the ASTROCULTURE (trademark) plant chamber, which provides an enclosed and controlled environment. As the flowers bloom in space, they will produce essential oils, and these volatile compounds will be collected using International Flavors and Fragrance's proprietary Solid Phase Micro Extraction (SPME) technology. The gene transfer experiment examines a newly developed transformation system to see if it operates efficiently in the microgravity environment. This research is important for the development of genetically engineered crops, also known as transgenic crops.

A new acylated flavonol from the aerial parts of Asteriscus maritimus (L.) Less (Asteraceae).

PubMed

Ezzat, Marwa I; Ezzat, Shahira M; El Deeb, Kadriya S; El Fishawy, Ahlam M; El-Toumy, Sayed A

2016-08-01

Phytochemical investigation of the flowering aerial parts of Asteriscus maritimus (L.) Less (Asteraceae) led to the isolation of a new compound: patuletin 7-O-β-D-[(2″'S) 6″(3″'-hydroxy-2″'-methyl-propanoyl)] glucopyranoside, together with five known metabolites; β-sitosterol 2, chlorogenic acid 3, P-hydroxy -methylbenzoate 4, luteolin 5 and protocatechuic acid 6. The structures of the isolated compounds were determined by comprehensive analyses of its 1D and 2D NMR, HRMS and compared with previously known analogues. The ethanolic extract of the flowering aerial parts of A. maritimus was found to be safe (LD50 = 4.6 mg/kg) and possess significant antioxidant and anti-inflammatory activities and this was in accordance with its high phenolic content (107.36 ± 0.051 mg GAE/g extract).

Determination of chlorinated acid herbicides in vegetation and soil by liquid chromatography/electrospray-tandem mass spectrometry.

PubMed

Schaner, Angela; Konecny, Jaclyn; Luckey, Laura; Hickes, Heidi

2007-01-01

The method presented uses reversed-phase liquid chromatography with negative electrospray ionization and tandem mass spectrometry to analyze 9 chlorinated acid herbicides in soil and vegetation matrixes: clopyralid, dicamba, MCPP, MCPA, 2,4-DP, 2,4-D, triclopyr, 2,4-DB, and picloram. A 20 g portion is extracted with a basic solution and an aliquot acidified and micropartitioned with 3 mL chloroform. Vegetation samples are subjected to an additional cleanup with a mixed-mode anion exchange solid-phase extraction cartridge. Two precursor product ion transitions per analyte are measured and evaluated to provide the maximum degree of confidence in results. Average recoveries for 3 different soil types tested ranged from 72 to 107% for all compounds with the exception of 2,4-DB at 56-99%. Average recoveries for the 3 different vegetation types studied were lower and ranged from 53 to 80% for all compounds.

Installation Restoration Program. Preliminary Assessment: Records Search for the 119th Fighter Interceptor Group, North Dakota Air National Guard, Hector Field , Fargo, North Dakota.

DTIC Science & Technology

1987-10-01

3𔃿 I, UNLSSflD r/ H : . ,_ .m 0 1 -8 111 . ! m m’" , L . I-~*211111220 MICROCOP RESOLUTICN TEST CHART NATIONAL BUREAU 0I SANDARD ’l l 4 AtJLLW i V...include, but not be limited to, any element, substance, compound , or mixture, including disease- causing agents, which after release into the environment...under: (a) any substance designated pursuant to Section 311(b)(2)(A) of the Fed-- eral Water Pollution Control Act, (b) any element, compound , mixture

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth’s Core Thermodynamic Conditions

DOE PAGES

Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; ...

2018-02-28

In this study, using in situ synchrotron x-ray diffraction and Raman spectroscopy in concert with first principles calculations we demonstrate the synthesis of stable Xe(Fe ,Fe/Ni) 3 and XeNi 3 compounds at thermodynamic conditions representative of Earth’s core. Surprisingly, in the case of both the Xe-Fe and Xe-Ni systems Fe and Ni become highly electronegative and can act as oxidants. In conclusion, the results indicate the changing chemical properties of elements under extreme conditions by documenting that electropositive at ambient pressure elements could gain electrons and form anions.

Recovery of mercury from mercury compounds via electrolytic methods

DOEpatents

Grossman, Mark W.; George, William A.

1991-01-01

A process for electrolytically recovering mercury from mercury compounds is provided. In one embodiment, Hg is recovered from Hg.sub.2 Cl.sub.2 employing as the electrolyte solution a mixture of HCl and H.sub.2 O. In another embodiment, Hg is electrolytically recovered from HgO wherein the electrolyte solution is comprised of glacial acetic acid and H.sub.2 O. Also provided is an apparatus for producing isotopically enriched mercury compounds in a reactor and then transporting the dissolved compounds into an electrolytic cell where mercury ions are electrolytically reduced and elemental mercury recovered from the mercury compounds.

X-ray spectra and electron structure of A15 compounds of transition metals

NASA Astrophysics Data System (ADS)

Kurmaev, E. Z.; Iarmoshenko, Iu. M.

1988-01-01

Results of an X-ray emission spectroscopy study of the electron structure of A15 compounds are reported. In particular, attention is given to the X-ray spectra of A15 compounds of the A3B type with transition and nontransition elements, effect of alloying on the formation of the electron structure of ternary phases, and effect of atomic ordering in the X-ray spectra of A15 compounds with changes in heat treament and concentration. The X-ray spectra of A15 compounds irradiated by fast neutrons are also examined.

Recovery of mercury from mercury compounds via electrolytic methods

DOEpatents

Grossman, Mark W.; George, William A.

1988-01-01

A process for electrolytically recovering mercury from mercury compounds is provided. In one embodiment, Hg is recovered from Hg.sub.2 Cl.sub.2 employing as the electrolyte solution a mixture of HCl and H.sub.2 O. In another embodiment, Hg is electrolytically recovered from HgO wherein the electrolyte solution is comprised of glacial acetic acid and H.sub.2 O. Also provided is an apparatus for producing isotopically enriched mercury compounds in a reactor and then transporting the dissolved compounds into an electrolytic cell where mercury ions are electrolytically reduced and elemental mercury recovered from the mercury compounds.

Recovery of mercury from mercury compounds via electrolytic methods

DOEpatents

Grossman, Mark W.; George, William A.

1989-01-01

A process for electrolytically recovering mercury from mercury compounds is provided. In one embodiment, Hg is recovered from Hg.sub.2 Cl.sub.2 employing as the electrolyte solution a mixture of HCl and H.sub.2 O. In another embodiment, Hg is electrolytically recovered from HgO wherein the electrolyte solution is comprised of glacial acetic acid and H.sub.2 O. Also provided is an apparatus for producing isotopically enriched mercury compounds in a reactor and then transporting the dissolved compounds into an electrolytic cell where mercury ions are electrolytically reduced and elemental mercury recovered from the mercury compounds.

Sulfide-responsive transcriptional repressor SqrR functions as a master regulator of sulfide-dependent photosynthesis.

PubMed

Shimizu, Takayuki; Shen, Jiangchuan; Fang, Mingxu; Zhang, Yixiang; Hori, Koichi; Trinidad, Jonathan C; Bauer, Carl E; Giedroc, David P; Masuda, Shinji

2017-02-28

Sulfide was used as an electron donor early in the evolution of photosynthesis, with many extant photosynthetic bacteria still capable of using sulfur compounds such as hydrogen sulfide (H 2 S) as a photosynthetic electron donor. Although enzymes involved in H 2 S oxidation have been characterized, mechanisms of regulation of sulfide-dependent photosynthesis have not been elucidated. In this study, we have identified a sulfide-responsive transcriptional repressor, SqrR, that functions as a master regulator of sulfide-dependent gene expression in the purple photosynthetic bacterium Rhodobacter capsulatus SqrR has three cysteine residues, two of which, C41 and C107, are conserved in SqrR homologs from other bacteria. Analysis with liquid chromatography coupled with an electrospray-interface tandem-mass spectrometer reveals that SqrR forms an intramolecular tetrasulfide bond between C41 and C107 when incubated with the sulfur donor glutathione persulfide. SqrR is oxidized in sulfide-stressed cells, and tetrasulfide-cross-linked SqrR binds more weakly to a target promoter relative to unmodified SqrR. C41S and C107S R. capsulatus SqrRs lack the ability to respond to sulfide, and constitutively repress target gene expression in cells. These results establish that SqrR is a sensor of H 2 S-derived reactive sulfur species that maintain sulfide homeostasis in this photosynthetic bacterium and reveal the mechanism of sulfide-dependent transcriptional derepression of genes involved in sulfide metabolism.

Learning by Sorting

ERIC Educational Resources Information Center

Lovrencic, Michael; Vena, Laurie

2014-01-01

A kinesthetic technique for learning to recognize elements and compounds is presented in this article. The current common pedagogy appears to merge recognition and implementation into one naming method. A separate recognition skill is critical to students being able to correctly name and write the formulas of compounds. This article focuses on…

Selected trace-element and synthetic-organic compound data for streambed sediment from the Clark Fork-Pend Oreille and Spokane River basins, Montana, Idaho, and Washington, 1998

USGS Publications Warehouse

Beckwith, Michael A.

2002-01-01

Most of the analytical results for synthetic organic compounds were reported as either estimated or non-detected values. Phthalates and polycyclic aro­matic hydrocarbons were the most frequently detected classes of synthetic organic compounds in streambed sediment. Organochlorine pesticide residues were detected at two sites. Polychlorinated biphenyls were detected at one site.

Equilibrium partitioning of organic compounds to OASIS HLB® as a function of compound concentration, pH, temperature and salinity.

PubMed

Jeong, Yoonah; Schäffer, Andreas; Smith, Kilian

2017-05-01

Oasis hydrophilic lipophilic balance ® (Oasis HLB) is commonly employed in solid phase extraction (SPE) of environmental contaminants and within polar organic chemical integrative passive samplers (POCIS). In this study batch experiments were carried out to evaluate the relative affinity of a range of relevant organic pollutants to Oasis HLB in aqueous systems. The influence of sorbate concentration, temperature, pH, and salinity on the equilibrium sorption was investigated. Equilibrium partition ratios (K D ) of 28 compounds were determined, ranging over three orders of magnitude from 1.16 × 10 3  L/kg (atenolol) to 1.07 × 10 6  L/kg (isoproturon). The Freundlich model was able to describe the equilibrium partitioning to Oasis HLB, and an analysis of the thermodynamic parameters revealed the spontaneous and exothermic nature of the partitioning process. Ionic strength had only a minor effect on the partitioning, whereas pH had a considerable effect but only for ionizable compounds. The results show that apolar interactions between the Oasis HLB and analyte mainly determine the equilibrium partitioning. These research findings can be used to optimize the application of SPE and POCIS for analyses of environmental contaminants even in complex mixtures. Copyright © 2017 Elsevier Ltd. All rights reserved.

Experimental determination of unsteady blade element aerodynamics in cascades. Volume 1: Torsion mode cascade

NASA Technical Reports Server (NTRS)

Riffel, R. E.; Rothrock, M. D.

1980-01-01

A two dimensional cascade of harmonically oscillating airfoils was designed to model a near tip section from a rotor which was known to have experienced supersonic torsional flutter. This five bladed cascade had a solidity of 1.17 and a setting angle of 1.07 rad. Graphite epoxy airfoils were fabricated to achieve the realistically high reduced frequency level of 0.44. The cascade was tested over a range of static pressure ratios approximating the blade element operating conditions of the rotor along a constant speed line which penetrated the flutter boundary. The time-steady and time-unsteady flow field surrounding the center cascade airfoil were investigated. The effects of reduced solidity and decreased setting angle on the flow field were also evaluated.

Degradation of trichloroethylene by Pseudomonas cepacia G4 and the constitutive mutant strain G4 5223 PR1 in aquifer microcosms

USGS Publications Warehouse

Krumme, M.L.; Timmis, K.N.; Dwyer, D.F.

1993-01-01

Pseudomonas cepacia G4 degrades trichloroethylene (TCE) via a degradation pathway for aromatic compounds which is induced by substrates such as phenol and tryptophan. P. cepacia G4 5223 PR1 (PR1) is a Tn5 insertion mutant which constitutively expresses the toluene ortho-monooxygenase responsible for TCE degradation. In groundwater microcosms, phenol-induced strain G4 and noninduced strain PR1 degraded TCE (20 and 50 microM) to nondetectable levels (< 0.1 microM) within 24 h at densities of 10(8) cells per ml; at lower densities, degradation of TCE was not observed after 48 h. In aquifer sediment microcosms, TCE was reduced from 60 to < 0.1 microM within 24 h at 5 x 10(8) PR1 organisms per g (wet weight) of sediment and from 60 to 26 microM over a period of 10 weeks at 5 x 10(7) PR1 organisms per g. Viable G4 and PR1 cells decreased from approximately 10(7) to 10(4) per g over the 10-week period.

Characterization of the quality of water, bed sediment, and fish in Mittry Lake, Arizona, 2014–15

USGS Publications Warehouse

Hermosillo, Edyth; Coes, Alissa L.

2017-03-01

Water, bed-sediment, and fish sampling was conducted in Mittry Lake, Arizona, in 2014–15 to establish current water-quality conditions of the lake. The parameters of temperature, dissolved-oxygen concentration, specific conductance, and alkalinity were measured in the field. Water samples were collected and analyzed for dissolved major ions, dissolved trace elements, dissolved nutrients, dissolved organic carbon, dissolved pesticides, bacteria, and suspended-sediment concentrations. Bed-sediment and fish samples were analyzed for trace elements, halogenated compounds, total mercury, and methylmercury.U.S. Environmental Protection Agency secondary maximum contaminant levels in drinking water were exceeded for sulfate, chloride, and manganese in the water samples. Trace-element concentrations were relatively similar between the inlet, middle, and outlet locations. Concentrations for nutrients in all water samples were below the Arizona Department of Environmental Quality’s water-quality standards for aquatic and wildlife uses, and all bacteria levels were below the Arizona Department of Environmental Quality’s recommended recreational water-quality criteria. Three out of 81 pesticides were detected in the water samples.Trace-element concentrations in bed sediment were relatively consistent between the inlet, middle, and outlet locations. Lead, manganese, nickel, and zinc concentrations, however, decreased from the inlet to outlet locations. Concentrations for lead, nickel, and zinc in some bed-sediment samples exceeded consensus-based sediment-quality guidelines probable effect concentrations. Eleven out of 61 halogenated compounds were detected in bed sediment at the inlet location, whereas three were detected at the middle location, and five were detected at the outlet location. No methylmercury was detected in bed sediment. Total mercury was detected in bed sediment at concentrations below the consensus-based sediment-quality guidelines probable effect concentration.Sixteen trace elements were detected in at least one of the fish-tissue samples, and trace-element concentrations were relatively consistent between the three fish-tissue samples. Seven halogenated compounds were detected in at least one of the whole-body fish samples; four to five compounds were detected in each fish. One fish-tissue sample exceeded the U.S. Environmental Protection Agency human health consumption criteria for methylmercury.

Remediation using trace element humate surfactant

DOEpatents

Riddle, Catherine Lynn; Taylor, Steven Cheney; Bruhn, Debra Fox

2016-08-30

A method of remediation at a remediation site having one or more undesirable conditions in which one or more soil characteristics, preferably soil pH and/or elemental concentrations, are measured at a remediation site. A trace element humate surfactant composition is prepared comprising a humate solution, element solution and at least one surfactant. The prepared trace element humate surfactant composition is then dispensed onto the remediation site whereby the trace element humate surfactant composition will reduce the amount of undesirable compounds by promoting growth of native species activity. By promoting native species activity, remediation occurs quickly and environmental impact is minimal.

Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clarke, Samantha M.; Walsh, James P. S.; Amsler, Maximilian

A new intermetallic compound, the first to be structurally identified in the Cu-Bi binary system, is reported. This compound is accessed by high-pressure reaction of the elements. Its detailed characterization, physical property measurements, and ab initio calculations are described. The commensurate crystal structure of Cu 11Bi 7 is a unique variation of the NiAs structure type. Temperature-dependent electrical resistivity and heat capacity measurements reveal a bulk superconducting transition at T c=1.36 K. Density functional theory calculations further demonstrate that Cu 11Bi 7 can be stabilized (relative to decomposition into the elements) at high pressure and temperature. These results highlight themore » ability of high-pressure syntheses to allow for inroads into heretofore-undiscovered intermetallic systems for which no thermodynamically stable binaries are known.« less

Entropy-driven loss of gas-phase Group 5 species from GOLD/3-5 compound semiconductor systems

NASA Astrophysics Data System (ADS)

Pugh, J. H.; Williams, R. S.

1986-02-01

Temperature dependent chemical interactions between Au and nine 3-5 compound semiconductors (3=A1, Ga, In and V=P, As, Sb) have been calculated using bulk thermodynamic properties. Enthalpic considerations alone are insufficient to predict metal/compound-semiconductor reactivities. The entropy of vaporization of the group 5 elements is shown to be an extremely important driving force for chemical reactions involving the 3-5's, since it enables several endothermic reactions to occur spontaneously under certain temperature and pressure conditions. Plots of either Gibb's free energies of reaction or equilibrium vapor pressure of the group 5 element versus temperature are used to predict critical reaction temperatures for each of the systems studied. These plots agree extremely well with previous experimental observations of thin film reactions of Au on GaAs.

The New Element Americium (Atomic Number 95)

DOE R&D Accomplishments Database

Seaborg, G.T.; James, R.A.; Morgan, L.O.

1948-01-01

Several isotopes of the new element 95 have been produced and their radiations characterized. The chemical properties of this tripositive element are similar to those of the typical tripositive lanthanide rare-earth elements. Element 95 is different from the latter in the degree and rate of formation of certain compounds of the complex ion type, which makes possible the separation of element 95 from the lanthanide rare-earths. The name americium (after the Americas) and the symbol Am are suggested for the element on the basis of its position as the sixth member of the actinide rare-earth series, analogous to europium, Eu, of the lanthanide series.

A Full Dynamic Compound Inverse Method for output-only element-level system identification and input estimation from earthquake response signals

NASA Astrophysics Data System (ADS)

Pioldi, Fabio; Rizzi, Egidio

2016-08-01

This paper proposes a new output-only element-level system identification and input estimation technique, towards the simultaneous identification of modal parameters, input excitation time history and structural features at the element-level by adopting earthquake-induced structural response signals. The method, named Full Dynamic Compound Inverse Method (FDCIM), releases strong assumptions of earlier element-level techniques, by working with a two-stage iterative algorithm. Jointly, a Statistical Average technique, a modification process and a parameter projection strategy are adopted at each stage to achieve stronger convergence for the identified estimates. The proposed method works in a deterministic way and is completely developed in State-Space form. Further, it does not require continuous- to discrete-time transformations and does not depend on initialization conditions. Synthetic earthquake-induced response signals from different shear-type buildings are generated to validate the implemented procedure, also with noise-corrupted cases. The achieved results provide a necessary condition to demonstrate the effectiveness of the proposed identification method.

Effects of gas-wall partitioning in Teflon tubing and instrumentation on time-resolved measurements of gas-phase organic compounds

NASA Astrophysics Data System (ADS)

Pagonis, Demetrios; Krechmer, Jordan E.; de Gouw, Joost; Jimenez, Jose L.; Ziemann, Paul J.

2017-12-01

Recent studies have demonstrated that organic compounds can partition from the gas phase to the walls in Teflon environmental chambers and that the process can be modeled as absorptive partitioning. Here these studies were extended to investigate gas-wall partitioning of organic compounds in Teflon tubing and inside a proton-transfer-reaction mass spectrometer (PTR-MS) used to monitor compound concentrations. Rapid partitioning of C8-C14 2-ketones and C11-C16 1-alkenes was observed for compounds with saturation concentrations (c∗) in the range of 3 × 104 to 1 × 107 µg m-3, causing delays in instrument response to step-function changes in the concentration of compounds being measured. These delays vary proportionally with tubing length and diameter and inversely with flow rate and c∗. The gas-wall partitioning process that occurs in tubing is similar to what occurs in a gas chromatography column, and the measured delay times (analogous to retention times) were accurately described using a linear chromatography model where the walls were treated as an equivalent absorbing mass that is consistent with values determined for Teflon environmental chambers. The effect of PTR-MS surfaces on delay times was also quantified and incorporated into the model. The model predicts delays of an hour or more for semivolatile compounds measured under commonly employed conditions. These results and the model can enable better quantitative design of sampling systems, in particular when fast response is needed, such as for rapid transients, aircraft, or eddy covariance measurements. They may also allow estimation of c∗ values for unidentified organic compounds detected by mass spectrometry and could be employed to introduce differences in time series of compounds for use with factor analysis methods. Best practices are suggested for sampling organic compounds through Teflon tubing.

Preparation of Mo-Re-C samples containing Mo7Re13C with the β-Mn-type structure by solid state reaction of planetary-ball-milled powder mixtures of Mo, Re and C, and their crystal structures and superconductivity

NASA Astrophysics Data System (ADS)

Oh-ishi, Katsuyoshi; Nagumo, Kenta; Tateishi, Kazuya; Takafumi, Ohnishi; Yoshikane, Kenta; Sugiyama, Machiko; Oka, Kengo; Kobayashi, Ryota

2017-01-01

Mo-Re-C compounds containing Mo7Re13C with the β-Mn structure were synthesized with high-melting-temperature metals Mo, Re, and C powders using a conventional solid state method with a planetary ball milling machine instead of the arc melting method. Use of the ball milling machine was necessary to obtain Mo7Re13C with the β-Mn structure using the solid state method. Almost single-phase Mo7Re13C with a trace of impurity were obtained using the synthesis method. By XRF and lattice parameter measurements on the samples, Fe element existed in the compound synthesized using the planetary ball milling machine with a pot and balls made of steel, though Fe element was not detected in the compound synthesized using a pot and balls made of tungsten carbide. The former compound containg the Fe atom did not show superconductivity but the latter compound without the Fe atom showed superconductivity at 6.1 K.

The Compositional HJ-Biplot—A New Approach to Identifying the Links among Bioactive Compounds of Tomatoes

PubMed Central

Hernández Suárez, Marcos; Molina Pérez, Daniel; Rodríguez-Rodríguez, Elena M.; Díaz Romero, Carlos; Espinosa Borreguero, Francisco; Galindo-Villardón, Purificación

2016-01-01

Tomatoes have been described as a functional food because of their particular composition of different bioactive compounds. In this study, the proximate composition, minerals and trace elements, and antioxidant compounds were determined in two tomato cultivars (Mariana and Dunkan) that were grown in Gran Canaria (Spain) either conventionally or hydroponically. Although compositional data of this type require being subjected to the specific statistical techniques of compositional analysis, this approach has not usually been considered in this context. In the present case, a compositional Mann–Whitney U test of the data showed significant differences for each factor (cultivar and cultivation system) in several of the compositional variables studied. For the differences between cultivars, these parameters were the protein, Mg, lycopene, ascorbic acid, citric acid, and fumaric acid contents. For the differences between cultivation systems, they were mainly those of the mineral and trace elements group. Although one-year data are insufficient to make clear relationship among compounds because more repetitions in several localities and years are necessary, the compositional HJ-biplot (in which the links provide estimates of the linear relationship among variables) results agreed with other scientific results about linear relationship among some compounds analyzed. PMID:27827839

Aspects of a Distinct Cytotoxicity of Selenium Salts and Organic Selenides in Living Cells with Possible Implications for Drug Design.

PubMed

Estevam, Ethiene Castellucci; Witek, Karolina; Faulstich, Lisa; Nasim, Muhammad Jawad; Latacz, Gniewomir; Domínguez-Álvarez, Enrique; Kieć-Kononowicz, Katarzyna; Demasi, Marilene; Handzlik, Jadwiga; Jacob, Claus

2015-07-31

Selenium is traditionally considered as an antioxidant element and selenium compounds are often discussed in the context of chemoprevention and therapy. Recent studies, however, have revealed a rather more colorful and diverse biological action of selenium-based compounds, including the modulation of the intracellular redox homeostasis and an often selective interference with regulatory cellular pathways. Our basic activity and mode of action studies with simple selenium and tellurium salts in different strains of Staphylococcus aureus (MRSA) and Saccharomyces cerevisiae indicate that such compounds are sometimes not particularly toxic on their own, yet enhance the antibacterial potential of known antibiotics, possibly via the bioreductive formation of insoluble elemental deposits. Whilst the selenium and tellurium compounds tested do not necessarily act via the generation of Reactive Oxygen Species (ROS), they seem to interfere with various cellular pathways, including a possible inhibition of the proteasome and hindrance of DNA repair. Here, organic selenides are considerably more active compared to simple salts. The interference of selenium (and tellurium) compounds with multiple targets could provide new avenues for the development of effective antibiotic and anticancer agents which may go well beyond the traditional notion of selenium as a simple antioxidant.

In vitro microbiological evaluation of novel bis pyrazolones.

PubMed

Narayana Rao, D V; Raghavendra Guru Prasad, A; Spoorthy, Y N; Raghunatha Rao, D; Ravindranath, L K

2014-03-01

Two series of bis pyrazolones (one with 3-methyl substituent and the other one with 3-amino substituent on the pyrazolone ring) were synthesized by the cyclization reaction between various hydrazides with esters/cyano esters in ethanolic medium. Structures of newly synthesized compounds were confirmed by elemental analysis, IR, (1)H NMR and mass spectral data. These compounds were screened for antibacterial and antifungal activities. The compounds of series 3 with amino substituent demonstrated better activity than the compounds of series 2 with methyl substituent on the pyrazolone ring. Compounds "e, f, c and d" showed higher antimicrobial activity than the compounds "b and a". The antimicrobial potentials of the synthesized compounds were compared with that of standards. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

Stress Placement on Phrases and Compounds in English

ERIC Educational Resources Information Center

Yurtbasi, Metin

2017-01-01

The three types of stresses namely "word stress," "compound stress" and "phrasal stress" are the key elements to determine the exact means of conveying a specific intent in an utterance. Therefore during perception and production of such meaning-carrying codes, being able to use the right stress pattern is vitally…

Ternary rare earth-lanthanide sulfides

DOEpatents

Takeshita, Takuo; Gschneidner JR., Karl A.; Beaudry, Bernard J.

1987-01-06

A new ternary rare earth sulfur compound having the formula: where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

Emergence of Intraverbal Responding Following Tact Instruction with Compound Stimuli

ERIC Educational Resources Information Center

Devine, Bailey; Carp, Charlotte L.; Hiett, Kiley A.; Petursdottir, Anna Ingeborg

2016-01-01

Effective intraverbal responding often requires control by multiple elements of a verbal stimulus. The purpose of this study was to examine the emergence of such intraverbal relations following tact instruction with compound stimuli and to analyze any resulting error patterns. Participants were seven typically developing children between 3 and…

Contribution of Proton Capture Reactions to the Ascertained Abundance of Fluorine in the Evolved Stars of Globular Cluster M4, M22, 47 Tuc and NGC 6397

NASA Astrophysics Data System (ADS)

Mahanta, Upakul; Goswami, Aruna; Duorah, H. L.; Duorah, K.

2017-12-01

The origin of the abundance pattern and also the (anti)correlation present among the elements found in stars of globular clusters (GCs) remains unimproved until date. The proton-capture reactions are presently recognised in concert of the necessary candidates for that sort of observed behaviour in the second generation stars. We tend to propose a reaction network of a nuclear cycle namely carbon-nitrogen-oxygen-fluorine (CNOF) at evolved stellar condition since fluorine (^{19}F) is one such element which gets plagued by proton capture reactions. The stellar temperature thought about here ranges from 2× 107 to 10× 107 K and there has been an accretion occuring, with material density being 102 g/cm3 and 103 g/cm3. Such kind of temperature density conditions are probably going to be prevailing within the H-burning shell of evolved stars. The estimated abundances of ^{19}F are then matched with the info that has been determined for a few some metal-poor giants of GC M4, M22, 47 Tuc as well as NGC 6397. As far as the comparison between the observed and calculated abundances is concerned, it is found that the abundance of ^{19}F have shown an excellent agreement with the observed abundances with a correlation coefficent above 0.9, supporting the incidence of that nuclear cycle at the adopted temperature density conditions.

Organic Compounds, Trace Elements, Suspended Sediment, and Field Characteristics at the Heads-of-Tide of the Raritan, Passaic, Hackensack, Rahway, and Elizabeth Rivers, New Jersey, 2000-03

USGS Publications Warehouse

Bonin, Jennifer L.; Wilson, Timothy P.

2006-01-01

Concentrations of suspended sediment, particulate and dissolved organic carbon, trace elements, and organic compounds were measured in samples from the heads-of-tide of the five tributaries to the Newark and Raritan Bays during June 2000 to June 2003. The samples were collected as part of the New Jersey Department of Environmental Protection Toxics Reduction Workplan/Contaminant Assessment Reduction Program. Samples of streamwater were collected at water-quality sampling stations constructed near U.S. Geological Survey gaging stations on the Raritan, Passaic, Hackensack, Rahway, and Elizabeth Rivers. Sampling was conducted during base-flow conditions and storms. Constituent concentrations were measured to determine the water quality and to calculate the load of sediment and contaminants contributed to the bays from upstream sources. Water samples were analyzed for suspended sediment, dissolved organic carbon, particulate organic carbon, and specific conductance. Samples of suspended sediment and water were analyzed for 98 distinct polychlorinated biphenyl congeners, 7 dioxins, 10 furans, 27 pesticides, 26 polycyclic aromatic hydrocarbons, and the trace elements cadmium, lead, mercury, and methyl-mercury. Measurements of ultra-low concentrations of organic compounds in sediment and water were obtained by collecting 1 to 3 grams of suspended sediment on glass fiber filters and by passing at least 20 liters of filtered water through XAD-2 resin. The extracted sediment and XAD-2 resin were analyzed for organic compounds by high- and low-resolution gas chromatography mass-spectrometry that uses isotope dilution procedures. Trace elements in filtered and unfiltered samples were analyzed for cadmium, lead, mercury, and methyl-mercury by inductively coupled charged plasma and mass-spectrometry. All constituent concentrations are raw data. Interpretation of the data will be completed in the second phase of the study.

Assessment of selected contaminants in streambed- and suspended-sediment samples collected in Bexar County, Texas, 2007-09

USGS Publications Warehouse

Wilson, Jennifer T.

2011-01-01

Elevated concentrations of sediment-associated contaminants are typically associated with urban areas such as San Antonio, Texas, in Bexar County, the seventh most populous city in the United States. This report describes an assessment of selected sediment-associated contaminants in samples collected in Bexar County from sites on the following streams: Medio Creek, Medina River, Elm Creek, Martinez Creek, Chupaderas Creek, Leon Creek, Salado Creek, and San Antonio River. During 2007-09, the U.S. Geological Survey periodically collected surficial streambed-sediment samples during base flow and suspended-sediment (large-volume suspended-sediment) samples from selected streams during stormwater runoff. All sediment samples were analyzed for major and trace elements and for organic compounds including halogenated organic compounds and polycyclic aromatic hydrocarbons (PAHs). Selected contaminants in streambed and suspended sediments in watersheds of the eight major streams in Bexar County were assessed by using a variety of methods—observations of occurrence and distribution, comparison to sediment-quality guidelines and data from previous studies, statistical analyses, and source indicators. Trace elements concentrations were low compared to the consensus-based sediment-quality guidelines threshold effect concentration (TEC) and probable effect concentration (PEC). Trace element concentrations were greater than the TEC in 28 percent of the samples and greater than the PEC in 1.5 percent of the samples. Chromium concentrations exceeded sediment-quality guidelines more frequently than concentrations of any other constituents analyzed in this study (greater than the TEC in 69 percent of samples and greater than the PEC in 8 percent of samples). Mean trace element concentrations generally are lower in Bexar County samples compared to concentrations in samples collected during previous studies in the Austin and Fort Worth, Texas, areas, but considering the relatively large ranges and standard deviations associated with the concentrations measured in all three areas, the trace element concentrations are similar. On the basis of Mann-Whitney U test results, the presence of a military installation in a watershed was associated with statistically significant higher chromium, mercury, and zinc concentrations in streambed sediments compared to concentrations of the same elements in a watershed without a military installation. Halogenated organic compounds analyzed in sediment samples included pesticides (chlordane, dieldrin, DDT, DDD, and DDE), polychlorinated biphenyls (PCBs), and brominated flame retardants. Three or more halogenated organic compounds were detected in each sediment sample, and 66 percent of all concentrations were less than the respective interim reporting levels. Halogenated organic compound concentrations were mostly low compared to consensus-based sediment quality guidelines-;TECs were exceeded in 11 percent of the analyses and PECs were exceeded in 1 percent of the analyses. Chlordane compounds were the most frequently detected halogenated organic compounds with one or more detections of chlordane compounds in every watershed; concentrations were greater than the TEC in 6 percent of the samples. Dieldrin was detected in 50 percent of all samples, however all concentrations were much less than the TEC. The DDT compounds (p,p'-DDT, p,p'-DDD, and p,p'-DDE) were detected less frequently than some other halogenated organic compounds, however most detections exceeded the TECs. p,p'-DDT was detected in 13 percent of the samples (TEC exceeded in 67 percent); p,p'-DDD was detected in 19 percent of the samples (TEC exceeded in 78 percent); and p,p'-DDE was detected in 35 percent of the samples (TEC exceeded in 53 percent). p,p'-DDE concentrations in streambed-sediment samples correlate positively with population density and residential, commercial, and transportation land use. One or more PCB congeners were detected in

Photon interaction studies using 241Am g-rays

NASA Astrophysics Data System (ADS)

Ramachandran, N.; Karunakaran Nair, K.; Abdullah, K. K.; Varier, K. M.

2006-09-01

We have carried out some photon interaction measurements using 59.54 keV γ-rays from a ^{241}Am source. These include γ attenuation studies as well as photoelectric absorption studies in various samples. The attenuation studies have been made using leaf and wood samples, samples like sand, sugar etc., which contain particles of varying sizes as well as pellets and aqueous solutions of rare earth compounds. In the case of the leaf and wood samples, we have used the γ-ray attenuation technique for the determination of the water content in fresh and dried samples. The variation of the attenuation coefficient with particle size has been investigated for sand and sugar samples. The attenuation studies as well as the photoelectric studies in the case of rare earth elements have been carried out on samples containing such elements whose K-absorption edge energies lie below and close to the γ-energy used. Suitable compounds of the rare earth elements have been chosen as mixture absorbers in these investigations. A narrow beam good geometry set-up was used for the attenuation measurements. A well-shielded scattering geometry was used for the photoelectric measurements. The mixture rule was invoked to extract the values of the mass attenuation coefficients for the elements from those of the corresponding compounds. The results are consistent with theoretical values derived from the XCOM package.

Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics

PubMed Central

Booth, C.H.; Jiang, Yu; Wang, D.L.; Mitchell, J.N.; Tobash, P.H.; Bauer, E.D.; Wall, M.A.; Allen, P.G.; Sokaras, D.; Nordlund, D.; Weng, T.-C.; Torrez, M.A.; Sarrao, J.L.

2012-01-01

Uranium and plutonium’s 5f electrons are tenuously poised between strongly bonding with ligand spd-states and residing close to the nucleus. The unusual properties of these elements and their compounds (e.g., the six different allotropes of elemental plutonium) are widely believed to depend on the related attributes of f-orbital occupancy and delocalization for which a quantitative measure is lacking. By employing resonant X-ray emission spectroscopy (RXES) and X-ray absorption near-edge structure (XANES) spectroscopy and making comparisons to specific heat measurements, we demonstrate the presence of multiconfigurational f-orbital states in the actinide elements U and Pu and in a wide range of uranium and plutonium intermetallic compounds. These results provide a robust experimental basis for a new framework toward understanding the strongly-correlated behavior of actinide materials. PMID:22706643

Reactions involving the heterolytic cleavage of carbon-element σ-bonds by Grignard reagents

NASA Astrophysics Data System (ADS)

Polivin, Yurii N.; Karakhanov, Robert A.; Postnov, Victor N.

1990-03-01

The reactions involving the heterolysis of the C-O, C-C, C-N, C-S, C-Cl, etc. bonds by organomagnesium compounds are examined and the nature of this interesting phenomenon is analysed. On the basis of the analysis of the characteristic features of the cleavage under discussion, it is shown that the heterolysis of the carbon-element bond is, firstly, a general reaction for all classes of organic compounds (provided that two conditions are observed: the substrate molecule must fragment into two stable species — a carbonium ion and an anion — and the strength of the Lewis acid properties should be adequate for the occurrence of the above reaction) and, secondly, the heterolysis of the carbon-element bond is one of the independent pathways in the reactions of the Grignard reagents. The bibliography includes 158 references.

A glimpse on biological activities of tellurium compounds.

PubMed

Cunha, Rodrigo L O R; Gouvea, Iuri E; Juliano, Luiz

2009-09-01

Tellurium is a rare element which has been regarded as a toxic, non-essential trace element and its biological role is not clearly established to date. Besides of that, the biological effects of elemental tellurium and some of its inorganic and organic derivatives have been studied, leading to a set of interesting and promising applications. As an example, it can be highlighted the uses of alkali-metal tellurites and tellurates in microbiology, the antioxidant effects of organotellurides and diorganoditellurides and the immunomodulatory effects of the non-toxic inorganic tellurane, named AS-101, and the plethora of its uses. Inasmuch, the nascent applications of organic telluranes (organotelluranes) as protease inhibitors and its applications in disease models are the most recent contribution to the scenario of the biological effects and applications of tellurium and its compounds discussed in this manuscript.

Astronomy Matters for Chemistry Teachers.

ERIC Educational Resources Information Center

Huebner, Jay S.; And Others

1996-01-01

Describes basic misconceptions about the origin of elements and forms of matter found in chemistry texts that need modification in light of modern observational data and interpretations given in astronomy. Notes that there are forms of matter other than elements and compounds. Confounding examples from astronomy include white dwarfs, neutron…

Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe

NASA Astrophysics Data System (ADS)

Martin, Jan M. L.; Sundermann, Andreas

2001-02-01

We propose large-core correlation-consistent (cc) pseudopotential basis sets for the heavy p-block elements Ga-Kr and In-Xe. The basis sets are of cc-pVTZ and cc-pVQZ quality, and have been optimized for use with the large-core (valence-electrons only) Stuttgart-Dresden-Bonn (SDB) relativistic pseudopotentials. Validation calculations on a variety of third-row and fourth-row diatomics suggest them to be comparable in quality to the all-electron cc-pVTZ and cc-pVQZ basis sets for lighter elements. Especially the SDB-cc-pVQZ basis set in conjunction with a core polarization potential (CPP) yields excellent agreement with experiment for compounds of the later heavy p-block elements. For accurate calculations on Ga (and, to a lesser extent, Ge) compounds, explicit treatment of 13 valence electrons appears to be desirable, while it seems inevitable for In compounds. For Ga and Ge, we propose correlation consistent basis sets extended for (3d) correlation. For accurate calculations on organometallic complexes of interest to homogenous catalysis, we recommend a combination of the standard cc-pVTZ basis set for first- and second-row elements, the presently derived SDB-cc-pVTZ basis set for heavier p-block elements, and for transition metals, the small-core [6s5p3d] Stuttgart-Dresden basis set-relativistic effective core potential combination supplemented by (2f1g) functions with exponents given in the Appendix to the present paper.

Sound velocity of iron-light element compounds and the chemical structure of the inner core

NASA Astrophysics Data System (ADS)

Ohtani, E.; Sakamaki, T.; Fukui, H.; Tanaka, R.; Shibazaki, Y.; Kamada, S.; Sakairi, T.; Takahashi, S.; Tsutsui, S.; Baron, A. Q. R.

2016-12-01

The light elements in the core could constrain the conditions of accretion, subsequent magma ocean, and core formation stages of the Earth. There are several studies for sound velocity measurements of the iron-light elements alloys. However, the measurements are not enough to constrain the light element abundance in the core tightly at present due to inter-laboratory inconsistencies using different methods which are originated from the difficulties to make such measurements under the extreme conditions. We measured the sound velocity of iron alloy compounds at high pressure and temperature relevant to the Earth's core using double-sided laser heating of a DAC combined with inelastic X-ray scattering at SPring-8. We measured the compressional velocity of hcp-Fe up to 166 GPa and 3000 K, and derived a clear temperature dependence of the Birch's law for hcp-Fe. We measured the compressional velocity of Fe0.89Si0.11 alloy and Fe3C at high pressure and temperature, and we could not detect temperature dependency in Birch's law in these compounds. Additionally, we measured the sound velocity of Fe3S, Fe0.83Ni0.09Si0.08 alloy, and FeH at high pressure. Combining our new data set which showed remarkable differences from previous data on the sound velocity, we present a model of the chemical structure of the inner core. The outer core composition was also estimated based on partitioning behaviors of these light elements between solid and liquid iron alloys under the core conditions.

Defense Small Business Innovation Research Program (SBIR). Abstracts of Phase I Awards. 1986.

DTIC Science & Technology

1986-01-01

RELATIVE HUMIDITY AT TEMPERATURES FOUND IN ARCTIC ENVIRONMENTS. IT IS BASED ON THE OBSERVATION THAT CERTAIN FLUORESCENT AND PHOSPHORESCENT COMPOUNDS ...FREEDMAN TITLE: III-V COMPOUNDS TRACE ELEMENT PROFILE ANALYSIS USING LASER ASSISTED S PECTROSCOPY T 55 OFFICE: RADC/DOR A NOVEL MICROPROBE ANALYSIS...AND II-VI AND III-V COMPOUNDS . THESE ADVANTAGES MAKE THE LSCE TECHNIQUE PARTICULARY WELL SUITED TO THE DEPOSITION OF QUANTUM WELL AND SUPERLATT ICE

Rapid Discovery of Tribological Materials with Improved Performance Using Materials Informatics

DTIC Science & Technology

2014-03-10

of New Solid State Lubricants The recursive portioning model illustrated in Fig. 3 has been applied to about 500 compounds from the FileMakerPro...neighboring cation. Based on this assumption, the large cationic charge of mineral compounds indicates the number of anions tends to be larger than the...The formation of bond types is highly dependent on the difference of electronegativity (EN) between the two elements in the compound . For instance

Tools for Specification Validation and Understanding.

DTIC Science & Technology

1983-12-01

MICROCOP RESOUTIO 1.8CAR NATIONA _________ JilSTADARDS 1963 , :;,- .-..... ...... , .. ... .-.... . . .. .....-. -.-.. . . ... . . .. .. .. . ..11...that Change the World 20 2.2.5 Changing a Relation 20 2.2.6 Changing the Type of an Object 21 2.2.7 Creating and Destroying Objects 22 2.2.8 Compound ...verb, or it is a compound name (e.g. MoveShip or ReplaceLine) where the first element of the compound corresponds to the verb. If a name is not a

The clc Element of Pseudomonas sp. Strain B13, a Genomic Island with Various Catabolic Properties

PubMed Central

Gaillard, Muriel; Vallaeys, Tatiana; Vorhölter, Frank Jörg; Minoia, Marco; Werlen, Christoph; Sentchilo, Vladimir; Pühler, Alfred; van der Meer, Jan Roelof

2006-01-01

Pseudomonas sp. strain B13 is a bacterium known to degrade chloroaromatic compounds. The properties to use 3- and 4-chlorocatechol are determined by a self-transferable DNA element, the clc element, which normally resides at two locations in the cell's chromosome. Here we report the complete nucleotide sequence of the clc element, demonstrating the unique catabolic properties while showing its relatedness to genomic islands and integrative and conjugative elements rather than to other known catabolic plasmids. As far as catabolic functions, the clc element harbored, in addition to the genes for chlorocatechol degradation, a complete functional operon for 2-aminophenol degradation and genes for a putative aromatic compound transport protein and for a multicomponent aromatic ring dioxygenase similar to anthranilate hydroxylase. The genes for catabolic functions were inducible under various conditions, suggesting a network of catabolic pathway induction. For about half of the open reading frames (ORFs) on the clc element, no clear functional prediction could be given, although some indications were found for functions that were similar to plasmid conjugation. The region in which these ORFs were situated displayed a high overall conservation of nucleotide sequence and gene order to genomic regions in other recently completed bacterial genomes or to other genomic islands. Most notably, except for two discrete regions, the clc element was almost 100% identical over the whole length to a chromosomal region in Burkholderia xenovorans LB400. This indicates the dynamic evolution of this type of element and the continued transition between elements with a more pathogenic character and those with catabolic properties. PMID:16484212

Oxidation preventative capping layer for deep-ultra-violet and soft x-ray multilayers

DOEpatents

Prisbrey, Shon T.

2004-07-06

The invention uses iridium and iridium compounds as a protective capping layer on multilayers having reflectivity in the deep ultra-violet to soft x-ray regime. The iridium compounds can be formed in one of two ways: by direct deposition of the iridium compound from a prepared target or by depositing a thin layer (e.g., 5-50 angstroms) of iridium directly onto an element. The deposition energy of the incoming iridium is sufficient to activate the formation of the desired iridium compound. The compounds of most interest are iridium silicide (IrSi.sub.x) and iridium molybdenide (IrMo.sub.x).

Recovery of mercury from mercury compounds via electrolytic methods

DOEpatents

Grossman, M.W.; George, W.A.

1991-06-18

A process for electrolytically recovering mercury from mercury compounds is provided. In one embodiment, Hg is recovered from Hg[sub 2]Cl[sub 2] employing as the electrolyte solution a mixture of HCl and H[sub 2]O. In another embodiment, Hg is electrolytically recovered from HgO wherein the electrolyte solution is comprised of glacial acetic acid and H[sub 2]O. Also provided is an apparatus for producing isotopically enriched mercury compounds in a reactor and then transporting the dissolved compounds into an electrolytic cell where mercury ions are electrolytically reduced and elemental mercury recovered from the mercury compounds. 3 figures.

Recovery of mercury from mercury compounds via electrolytic methods

DOEpatents

Grossman, M.W.; George, W.A.

1989-11-07

A process for electrolytically recovering mercury from mercury compounds is provided. In one embodiment, Hg is recovered from Hg[sub 2]Cl[sub 2] employing as the electrolyte solution a mixture of HCl and H[sub 2]O. In another embodiment, Hg is electrolytically recovered from HgO wherein the electrolyte solution is comprised of glacial acetic acid and H[sub 2]O. Also provided is an apparatus for producing isotopically enriched mercury compounds in a reactor and then transporting the dissolved compounds into an electrolytic cell where mercury ions are electrolytically reduced and elemental mercury recovered from the mercury compounds. 3 figs.

Controlled Synthesis of Polyions of Heavy Main-Group Elements in Ionic Liquids

PubMed Central

Groh, Matthias F.; Wolff, Alexander; Grasser, Matthias A.; Ruck, Michael

2016-01-01

Ionic liquids (ILs) have been proven to be valuable reaction media for the synthesis of inorganic materials among an abundance of other applications in different fields of chemistry. Up to now, the syntheses have remained mostly “black boxes”; and researchers have to resort to trial-and-error in order to establish a new synthetic route to a specific compound. This review comprises decisive reaction parameters and techniques for the directed synthesis of polyions of heavy main-group elements (fourth period and beyond) in ILs. Several families of compounds are presented ranging from polyhalides over carbonyl complexes and selenidostannates to homo and heteropolycations. PMID:27598123

Extensive 1-year survey of trace elements and compounds in the airborne suspended particulate matter in Cleveland, Ohio

NASA Technical Reports Server (NTRS)

King, R. B.; Fordyce, J. S.; Antoine, A. C.; Leibecki, H. F.; Neustadter, H. E.; Sidik, S. M.

1976-01-01

Concentrations of 75 chemical constituents in the airborne particulate matter were measured in Cleveland, Ohio, during 1971 and 1972. Values covering a 1-year period (45 to 50 sampling days) at each of 16 sites are presented for 60 elements. A lesser number of values is given for sulfate, nitrate, fluoride, acidity, 10 polynuclear aromatic hydrocarbon compounds, and the aliphatic hydrocarbon compounds as a group. Methods used included instrumental neutron activation, emission spectroscopy, gas chromatography, combustion techniques, and colorimetry. Uncertainties in the concentrations associated with the sampling procedures, the analysis methods, the use of several analytical facilities, and samples with concentrations below the detection limits are evaluated in detail. The data is discussed in relation to other studies and source origins. The trace constituent concentrations as a function of wind direction are used to suggest a practical method for air pollution source identification.

Crystal growth of device quality GaAs in space

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Lagowski, J.

1986-01-01

It was established that the findings on elemental semiconductors Ge and Si regarding crystal growth, segregation, chemical composition, defect interactions, and materials properties-electronic properties relationships are not necessarily applicable to GaAs (and to other semiconductor compounds). In many instances totally unexpected relationships were found to prevail. It was further established that in compound semiconductors with a volatile constituent, control of stoichiometry is far more critical than any other crystal growth parameter. It was also shown that, due to suppression of nonstoichiometric fluctuations, the advantages of space for growth of semiconductor compounds extend far beyond those observed in elemental semiconductors. A novel configuration was discovered for partial confinement of GaAs melt in space which overcomes the two major problems associated with growth of semiconductors in total confinement. They are volume expansion during solidification and control of pressure of the volatile constituent. These problems are discussed in detail.

Alkaline and alkaline earth metal phosphate halides and phosphors

DOEpatents

Lyons, Robert Joseph; Setlur, Anant Achyut; Cleaver, Robert John

2012-11-13

Compounds, phosphor materials and apparatus related to nacaphite family of materials are presented. Potassium and rubidium based nacaphite family compounds and phosphors designed by doping divalent rare earth elements in the sites of alkaline earth metals in the nacaphite material families are descried. An apparatus comprising the phosphors based on the nacaphite family materials are presented herein. The compounds presented is of formula A.sub.2B.sub.1-yR.sub.yPO.sub.4X where the elements A, B, R, X and suffix y are defined such that A is potassium, rubidium, or a combination of potassium and rubidium and B is calcium, strontium, barium, or a combination of any of calcium, strontium and barium. X is fluorine, chlorine, or a combination of fluorine and chlorine, R is europium, samarium, ytterbium, or a combination of any of europium, samarium, and ytterbium, and y ranges from 0 to about 0.1.

Phytochemical analysis of Pinus eldarica bark

PubMed Central

Iravani, S.; Zolfaghari, B.

2014-01-01

Bark extract of Pinus pinaster contains numerous phenolic compounds such as catechins, taxifolin, and phenolic acids. These compounds have received considerable attentions because of their anti-inflammatory, antimutagenic, anticarcinogenic, antimetastatic and high antioxidant activities. Although P. pinaster bark has been intensely investigated in the past; there is comparably less information available in the literature in regard to P. eldarica bark. Therefore, the aim of this study was to determine the chemical composition of P. eldarica commonly found in Iran. A reversed-phase high pressure liquid chromatography (RP-HPLC) method for the determination of catechin, caffeic acid, ferulic acid, and taxifolin in P. pinaster and P. eldarica was developed. A mixture of 0.1% formic acid in deionized water and 0.1% formic acid in acetonitrile was used as the mobile phase, and chromatographic separation was achieved on a Nova pack C18 at 280 nm. The two studied Pinus species contained high amounts of polyphenolic compounds. Among four marker compounds, the main substances identified in P. pinaster and P. eldarica were taxifolin and catechin, respectively. Furthermore, the composition of the bark oil of P. eldarica obtained by hydrodistillation was analyzed by gas chromatography/mass spectroscopy (GC/MS). Thirty-three compounds accounting for 95.1 % of the oil were identified. The oils consisted mainly of mono- and sesquiterpenoid fractions, especially α-pinene (24.6%), caryophyllene oxide (14.0%), δ-3-carene (10.7%), (E)-β-caryophyllene (7.9%), and myrtenal (3.1%). PMID:25657795

Methodologies for the quantitative estimation of toxicant dose to cigarette smokers using physical, chemical and bioanalytical data.

PubMed

St Charles, Frank Kelley; McAughey, John; Shepperd, Christopher J

2013-06-01

Methodologies have been developed, described and demonstrated that convert mouth exposure estimates of cigarette smoke constituents to dose by accounting for smoke spilled from the mouth prior to inhalation (mouth-spill (MS)) and the respiratory retention (RR) during the inhalation cycle. The methodologies are applicable to just about any chemical compound in cigarette smoke that can be measured analytically and can be used with ambulatory population studies. Conversion of exposure to dose improves the relevancy for risk assessment paradigms. Except for urinary nicotine plus metabolites, biomarkers generally do not provide quantitative exposure or dose estimates. In addition, many smoke constituents have no reliable biomarkers. We describe methods to estimate the RR of chemical compounds in smoke based on their vapor pressure (VP) and to estimate the MS for a given subject. Data from two clinical studies were used to demonstrate dose estimation for 13 compounds, of which only 3 have urinary biomarkers. Compounds with VP > 10(-5) Pa generally have RRs of 88% or greater, which do not vary appreciably with inhalation volume (IV). Compounds with VP < 10(-7) Pa generally have RRs dependent on IV and lung exposure time. For MS, mean subject values from both studies were slightly greater than 30%. For constituents with urinary biomarkers, correlations with the calculated dose were significantly improved over correlations with mouth exposure. Of toxicological importance is that the dose correlations provide an estimate of the metabolic conversion of a constituent to its respective biomarker.

Physiological role of phenolic biostimulants isolated from brown seaweed Ecklonia maxima on plant growth and development.

PubMed

Aremu, Adeyemi O; Masondo, Nqobile A; Rengasamy, Kannan R R; Amoo, Stephen O; Gruz, Jiří; Bíba, Ondřej; Šubrtová, Michaela; Pěnčík, Aleš; Novák, Ondřej; Doležal, Karel; Van Staden, Johannes

2015-06-01

Eckol, a major phenolic compound isolated from brown seaweed significantly enhanced the bulb size and bioactive compounds in greenhouse-grown Eucomis autumnalis. We investigated the effect of eckol and phloroglucinol (PG) (phenolic compounds) isolated from the brown seaweed, Ecklonia maxima (Osbeck) Papenfuss on the growth, phytochemical and auxin content in Eucomis autumnalis (Mill.) Chitt. The model plant is a popular medicinal species with increasing conservation concern. Eckol and PG were tested at 10(-5), 10(-6) and 10(-7) M using soil drench applications. After 4 months, growth parameters, phytochemical and auxin content were recorded. When compared to the control, eckol (10(-6) M) significantly improved bulb size, fresh weight and root production while the application of PG (10(-6) M) significantly increased the bulb numbers. However, both compounds had no significant stimulatory effect on aerial organs. Bioactive phytochemicals such as p-hydroxybenzoic and ferulic acids were significantly increased in eckol (10(-5) M) and PG (10(-6) M) treatments, compared to the control. Aerial (1,357 pmol/g DW) and underground (1,474 pmol/g DW) parts of eckol-treated (10(-5) M) plants yielded the highest concentration of indole-3-acetic acid. Overall, eckol and PG elicited a significant influence on the growth and physiological response in E. autumnalis. Considering the medicinal importance of E. autumnalis and the increasing strains on its wild populations, these compounds are potential tools to enhance their cultivation and growth.

Why farming with high tech methods should integrate elements of organic agriculture.

PubMed

Ammann, Klaus

2009-09-01

In the previous article [Ammann, K. (2008) Feature: integrated farming: why organic farmers should use transgenic crops. New Biotechnol. 25, 101-107], in a plea for the introduction of transgenic crops into organic and integrated farming, it was announced that the complementary topic, namely that high tech farmers should integrate elements of organic agriculture, will be a follow up. Some selected arguments for such a view are summarised here. Basically, they comprise a differentiated view on agro-biodiversity outside the field of production; landscape management methods to enhance biodiversity levels. Both elements are compatible with basic ideas of organic farming. First, Precision Farming is given as one example of the many ways to support agricultural production through high technology, with the aim of reducing energy input, maintaining excellent soil conditions and enhancing yield. It is clear from this analysis that modern agriculture and certain elements of organic-integrated agriculture are compatible. There are sectors of high tech farming, such as the introduction of a better recycling scheme and also a better focus on socio-economic aspects, which need to be taken up seriously from organic-integrated farming, a system which puts a lot of emphasis on those elements and for which important research data are available. In the final part a new concept of dynamic sustainability is presented.

Database of Sources of Environmental Releases of Dioxin-Like Compounds in the United States

EPA Science Inventory

The Database of Sources of Environmental Releases of Dioxin-like Compounds in the United States (US)Metallic elements in fossil fuel combustion products: amounts and form of emissions and evaluation of carcinogenicity and mutagenicity.