Sample records for acetylene reduction method

  1. Application of the photoacoustic method to the measurement of acetylene reduction by nitrogenase enzyme

    NASA Astrophysics Data System (ADS)

    Schramm, D. U.; Sthel, M. S.; Carneiro, L. O.; Franco, A. A.; Campos, A. C.; Vargas, H.

    2005-06-01

    Nitrogenase is an enzyme responsible for the reduction of the atmospheric N2 into NH4^+, which represents the key entry point of the molecular nitrogen into the biogeochemical cycle of nitrogen. This enzyme is present in the rhizobial bacteroids, which are symbionts in a Leguminosae plant (Acacia Holosericea), and also reduces acetylene into ethylene at the same rate as the nitrogen reduction. Therefore, a CO2 Laser Photoacoustic system was used for detecting and monitoring the ethylene emission by the nitrogenase activity, in the rhizobial symbionts in Acacia Holosericea, when they are confined in test tubes with acetylene at two different volumes (0.1 and 0.5 ml). Ethylene concentrations are also determined in the ppm range.

  2. Nitrogen Fixation (Acetylene Reduction) Associated with Duckweed (Lemnaceae) Mats

    PubMed Central

    Zuberer, D. A.

    1982-01-01

    Duckweed (Lemnaceae) mats in Texas and Florida were investigated, using the acetylene reduction assay, to determine whether nitrogen fixation occurred in these floating aquatic macrophyte communities. N2-fixing microorganisms were enumerated by plating or most-probable-number techniques, using appropriate N-free media. Results of the investigations indicated that substantial N2-fixation (C2H2) was associated with duckweed mats in Texas and Florida. Acetylene reduction values ranged from 1 to 18 μmol of C2H4 g (dry weight)−1 day−1 for samples incubated aerobically in light. Dark N2 fixation was always two- to fivefold lower. 3-(3,4-Dichlorophenyl)-1,1-dimethylurea (7 to 10 μM) reduced acetylene reduction to levels intermediate between light and dark incubation. Acetylene reduction was generally greatest for samples incubated anaerobically in the light. It was estimated that 15 to 20% of the N requirement of the duckweed could be supplied through biological nitrogen fixation. N2-fixing heterotrophic bacteria (105 cells g [wet weight]−1 and cyanobacteria (105 propagules g [wet weight]−1 were associated with the duckweed mats. Azotobacter sp. was not detected in these investigations. One diazotrophic isolate was classified as Klebsiella. PMID:16345992

  3. Nitrogen Fixation (Acetylene Reduction) by Epiphytes of Freshwater Macrophytes

    PubMed Central

    Finke, Linda R.; Seeley, H. W.

    1978-01-01

    The involvement of epiphytic microorganisms in nitrogen fixation was investigated in a shallow freshwater pond near Ithaca, N.Y. The acetylene reduction technique was used to follow diel and seasonal cycles of nitrogen fixation by epiphytes of Myriophyllum spicatum. Acetylene-reducing activity was maximal between noon and 6 p.m., but substantial levels of activity relative to daytime rates continued through the night. Experiments with the seasonal course of activity showed a gradual decline during the autumn months and no activity in January or February. Activity commenced in May, with an abrupt increase to levels between 0.45 and 0.95 nmol of ethylene formed per mg (dry weight) of plant per h. Through most of the summer months, mean rates of acetylene reduction remained between 0.15 and 0.60 nmol/mg (dry weight) per h. It was calculated from diel and seasonal cycles that, in the pond areas studied, epiphytes were capable of adding from 7.5 to 12.5 μg of N per mg of plant per year to the pond. This amount is significant relative to the total amount of nitrogen incorporated into the plant. Blue-green algae (cyanobacteria), particularly Gloeotrichia, appeared to bear prime responsibility for nitrogen fixation, but photosynthetic bacteria of the genus Rhodopseudomonas were isolated from M. spicatum and shown to support high rates of acetylene reduction. PMID:16345301

  4. Acetylene Fuels TCE Reductive Dechlorination by Defined Dehalococcoides/Pelobacter Consortia.

    PubMed

    Mao, Xinwei; Oremland, Ronald S; Liu, Tong; Gushgari, Sara; Landers, Abigail A; Baesman, Shaun M; Alvarez-Cohen, Lisa

    2017-02-21

    Acetylene (C 2 H 2 ) can be generated in contaminated groundwater sites as a consequence of chemical degradation of trichloroethene (TCE) by in situ minerals, and C 2 H 2 is known to inhibit bacterial dechlorination. In this study, we show that while high C 2 H 2 (1.3 mM) concentrations reversibly inhibit reductive dechlorination of TCE by Dehalococcoides mccartyi isolates as well as enrichment cultures containing D. mccartyi sp., low C 2 H 2 (0.4 mM) concentrations do not inhibit growth or metabolism of D. mccartyi. Cocultures of Pelobacter SFB93, a C 2 H 2 -fermenting bacterium, with D. mccartyi strain 195 or with D. mccartyi strain BAV1 were actively sustained by providing acetylene as the electron donor and carbon source while TCE or cis-DCE served as the electron acceptor. Inhibition by acetylene of reductive dechlorination and methanogenesis in the enrichment culture ANAS was observed, and the inhibition was removed by adding Pelobacter SFB93 into the consortium. Transcriptomic analysis of D. mccartyi strain 195 showed genes encoding for reductive dehalogenases (e.g., tceA) were not affected during the C 2 H 2 -inhibition, while genes encoding for ATP synthase, biosynthesis, and Hym hydrogenase were down-regulated during C 2 H 2 inhibition, consistent with the physiological observation of lower cell yields and reduced dechlorination rates in strain 195. These results will help facilitate the optimization of TCE-bioremediation at contaminated sites containing both TCE and C 2 H 2 .

  5. Acetylene fuels TCE reductive dechlorination by defined Dehalococcoides/Pelobacter consortia

    USGS Publications Warehouse

    Mao, Xinwei; Oremland, Ronald S.; Liu, Tong; Landers, Abigail A; Baesman, Shaun; Alvarez-Cohen, Lisa

    2017-01-01

    Acetylene (C2H2) can be generated in contaminated groundwater sites as a consequence of chemical degradation of trichloroethene (TCE) by in situ minerals, and C2H2 is known to inhibit bacterial dechlorination. In this study, we show that while high C2H2 (1.3 mM) concentrations reversibly inhibit reductive dechlorination of TCE by Dehalococcoides mccartyi isolates as well as enrichment cultures containing D. mccartyi sp., low C2H2 (0.4 mM) concentrations do not inhibit growth or metabolism of D. mccartyi. Cocultures of Pelobacter SFB93, a C2H2-fermenting bacterium, with D. mccartyi strain 195 or with D. mccartyi strain BAV1 were actively sustained by providing acetylene as the electron donor and carbon source while TCE or cis-DCE served as the electron acceptor. Inhibition by acetylene of reductive dechlorination and methanogenesis in the enrichment culture ANAS was observed, and the inhibition was removed by adding Pelobacter SFB93 into the consortium. Transcriptomic analysis of D. mccartyi strain 195 showed genes encoding for reductive dehalogenases (e.g., tceA) were not affected during the C2H2-inhibition, while genes encoding for ATP synthase, biosynthesis, and Hym hydrogenase were down-regulated during C2H2 inhibition, consistent with the physiological observation of lower cell yields and reduced dechlorination rates in strain 195. These results will help facilitate the optimization of TCE-bioremediation at contaminated sites containing both TCE and C2H2.

  6. Acetylene fuels reductive dechlorination of TCE by Dehalococcoides/Pelobacter-containing microbial consortia

    NASA Astrophysics Data System (ADS)

    Oremland, R. S.; Mao, X.; Mahandra, C.; Baesman, S. M.; Gushgari, S.; Alvarez-Cohen, L.; Liu, T.

    2015-12-01

    Groundwater contamination by trichloroethene (TCE) poses a threat to health and leads to the generation of vinyl chloride (VC), a carcinogen. Dehalococcoides mccartyi is the only bacterium that can completely dechlorinate TCE to ethene (C2H4). Acetylene (C2H2) occurs in TCE-contaminated sites as a consequence of chemical degradation of TCE. Yet acetylene inhibits a variety of microbial processes including methanogesis and reductive dechlorination. Pelobacter acetylenicus and related species can metabolize acetylene via acetylene hydratase and acetaldehyde dismutatse thereby generating acetate and H2 as endproducts, which could serve as electron donor and carbon source for growth of D. mccartyi. We found that 1mM acetylene (aqueous) inhibits growth of D. mccartyi strain 195 on 0.3 mM TCE, but that the inhibition was removed after 12 days with the addition of an acetylene-utilizing isolate from San Francisco Bay, Pelobacter strain SFB93. TCE did not inhibit the growth of this Pelobacter at the concentrations tested (0.1-0.5 mM) and TCE was not consumed by strain SFB93. Co-cultures of strain 195 with strain SFB93 at 5% inoculation were established in 120 mL serum bottles containing 40 mL defined medium. TCE was supplied at a liquid concentration of 0.1 mM, with 0.1 mM acetylene and N2/CO2 (90:10 v/v) headspace at 34 °C. Co-cultures were subsequently transferred (5% vol/vol inoculation) to generate subcultures after 20 μmol TCE was reduced to VC and 36 μmol acetylene was depleted. Aqueous H2 ranged from 114 to 217 nM during TCE-dechlorination, and the cell yield of strain 195 was 3.7 ±0.3 × 107 cells μmol-1 Cl- released. In a D. mccartyi-containing enrichment culture (ANAS) under the same conditions as above, it was found that inhibition of dechlorination by acetylene was reversed after 19 days by adding SFB93. Thus we showed that a co-culture of Pelobacter SFB93 and D. mccartyi 195 could be maintained with C2H2 as the electron donor and carbon source while TCE

  7. Acetylene terminated aspartimides and resins therefrom

    NASA Technical Reports Server (NTRS)

    Hergenrother, Paul M. (Inventor); Connell, John W. (Inventor); Havens, Stephen J. (Inventor)

    1989-01-01

    Acetylene terminated aspartimides are prepared using two methods. In the first, an amino-substituted aromatic acetylene is reacted with an aromatic bismaleimide in a solvent of glacial acetic acid and/or m-cresol. In the second method, an aromatic diamine is reacted with an ethynyl containing maleimide, such an N-(3-ethynyl phenyl) maleimide, in a solvent of glacial acetic acid and/or m-cresol. In addition, acetylene terminated aspartimides are blended with various acetylene terminated oligomers and polymers to yield composite materials exhibiting improved mechanical properties.

  8. Dissimilatory reduction of nitrate and nitrite in the bovine rumen: nitrous oxide production and effect of acetylene.

    PubMed

    Kaspar, H F; Tiedje, J M

    1981-03-01

    15N tracer methods and gas chromatography coupled to an electron capture detector were used to investigate dissimilatory reduction of nitrate and nitrite by the rumen microbiota of a fistulated cow. Ammonium was the only 15N-labeled end product of quantitative significance. Only traces of nitrous oxide were detected as a product of nitrate reduction; but in experiments with nitrite, up to 0.3% of the added nitrogen accumulated as nitrous oxide, but it was not further reduced. Furthermore, when 13NO3- was incubated with rumen microbiota virtually no [13N]N2 was produced. Acetylene partially inhibited the reduction of nitrite to ammonium as well as the formation of nitrous oxide. It is suggested that in the rumen ecosystem nitrous oxide is a byproduct of dissimilatory nitrite reduction to ammonium rather than a product of denitrification and that the latter process is absent from the rumen habitat.

  9. Dissimilatory reduction of nitrate and nitrite in the bovine rumen: nitrous oxide production and effect of acetylene.

    PubMed Central

    Kaspar, H F; Tiedje, J M

    1981-01-01

    15N tracer methods and gas chromatography coupled to an electron capture detector were used to investigate dissimilatory reduction of nitrate and nitrite by the rumen microbiota of a fistulated cow. Ammonium was the only 15N-labeled end product of quantitative significance. Only traces of nitrous oxide were detected as a product of nitrate reduction; but in experiments with nitrite, up to 0.3% of the added nitrogen accumulated as nitrous oxide, but it was not further reduced. Furthermore, when 13NO3- was incubated with rumen microbiota virtually no [13N]N2 was produced. Acetylene partially inhibited the reduction of nitrite to ammonium as well as the formation of nitrous oxide. It is suggested that in the rumen ecosystem nitrous oxide is a byproduct of dissimilatory nitrite reduction to ammonium rather than a product of denitrification and that the latter process is absent from the rumen habitat. PMID:7224631

  10. Anaerobic oxidation of acetylene by estuarine sediments and enrichment cultures

    USGS Publications Warehouse

    Culbertson, Charles W.; Zehnder, Alexander J. B.; Oremland, Ronald S.

    1981-01-01

    Acetylene disappeared from the gas phase of anaerobically incubated estuarine sediment slurries, and loss was accompanied by increased levels of carbon dioxide. Acetylene loss was inhibited by chloramphenicol, air, and autoclaving. Addition of 14C2H2 to slurries resulted in the formation of 14CO2 and the transient appearance of 14C-soluble intermediates, of which acetate was a major component. Acetylene oxidation stimulated sulfate reduction; however, sulfate reduction was not required for the loss of C2H2 to occur. Enrichment cultures were obtained which grew anaerobically at the expense of C2H2.

  11. Properties of acetylene

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

    Pavlovcak, J.T.

    1994-12-31

    Acetylene continues to be the most widely used fuel in the oxyfuel cutting and welding industry. It displays properties that enhance its benefits to the industry, but at the same time, present potential hazards that have to be addressed. The presentation explores the main properties or characteristics of acetylene -- odor, toxicity, flammability, composition, and manufacture. it expands on those properties that are unique to acetylene and which account for its main value to the user or which constitute the chief concern for safe use of acetylene. The presentation explains characteristics such as anosmia, flammable or explosive range, ignition energy,more » autoignition temperature, and flame temperature, comparing these values for acetylene to other common gaseous fuels. it explains the unique property of acetylene to decompose explosively in the absence of air or oxygen. The toxicological aspects of acetylene is discussed, including anesthetic effect and simple asphyxiant, showing the increasing severity of symptoms to increasing levels of oxygen deficiency. The main value of this basic review of the properties of acetylene is to remind people of the benefits of acetylene due to its unique properties, and to realert them to the potential hazards that also have to be addressed to control the properties of acetylene.« less

  12. Acetylene fermentation: An Earth-based analog of biological carbon cycling on Titan

    NASA Astrophysics Data System (ADS)

    Miller, L. G.; Baesman, S. M.; Hoeft, S. E.; Kirshtein, J.; Wolf, K.; Voytek, M. A.; Oremland, R. S.

    2009-12-01

    Acetylene (C2H2) is present in part per million quantities in the atmosphere of Titan; conceivably as an intermediate product of methane photolysis. Currently, Earth’s atmosphere contains only trace amounts of C2H2 (~40 pptv), however higher concentrations likely prevailed during the Hadean and early Archean eons (4.5 - 3.5 Ga). We isolated C2H2-fermenting microbes from various aquatic and sedimentary environments. Acetylene fermentation proceeds via acetylene hydratase (AH) through acetaldehyde, which dismutates to ethanol and acetate, and if oxidants are present (e.g., sulfate) eventually to CO2. Thus, the remnants of a C2H2 cycle exists today on Earth but may also occur on Titan and/or Enceladus, both being planetary bodies hypothesized to have liquid water underlying their frozen surfaces. We developed a molecular method for AH by designing PCR primers to target the functional gene in Pelobacter acetylenicus. We used this method to scan new environments for the presence of AH and we employed DNA sequencing of the 16S rRNA gene in order to positively identify pelobacters in environmental samples. Acetylene fermentation was documented in five diverse salt-, fresh-, and ground-water sites. Pelobacter was identified as the genus responsible for acetylene fermentation in some, but not all, of these sites. Successful probing for AH preceded the discovery of acetylene consumption in a contaminated groundwater site, demonstrating the utility of functional gene probing. A pure culture of a C2H2-fermenting pelobacter was obtained from an intertidal mudflat. We also obtained an enrichment culture (co-cultured with a sulfate reducer) from freshwater lake sediments, but neither was pelobacter nor AH detected in this sample, suggesting that an alternative pathway may be involved here. Slurry experiments using these lake sediments either with or without added C2H2 or sulfate showed that sulfate reduction and acetylene fermentation were independent processes. In general, the

  13. Inhibition of Methanogenesis in Marine Sediments by Acetylene and Ethylene: Validity of the Acetylene Reduction Assay for Anaerobic Microcosms

    PubMed Central

    Oremland, Ronald S.; Taylor, Barrie F.

    1975-01-01

    Methanogenesis was irreversibly inhibited in sediments by concentrations of acetylene employed in nitrogen fixation assays (1 to 20%, vol/vol). Ethylene, but not ethane, also stopped methane production, and the inhibition was reversed by gassing with hydrogen. PMID:1190767

  14. How different is the borazine-acetylene dimer from the benzene-acetylene dimer? A matrix isolation infrared and ab initio quantum chemical study

    NASA Astrophysics Data System (ADS)

    Verma, Kanupriya; Viswanathan, K. S.; Majumder, Moumita; Sathyamurthy, N.

    2017-11-01

    The 1:1 dimer of borazine-acetylene has been studied for the first time, both experimentally and computationally. The borazine-acetylene dimer was trapped in Ar and N2 matrices, and studied using infrared spectroscopy. Our experiments clearly revealed two isomers of the borazine-acetylene complex, one in which the N-H of borazine interacted with the carbon of acetylene, and another in which the C-H of acetylene formed a hydrogen bond with a nitrogen atom of borazine. The formation of both isomers in the matrix was evidenced by shifts in the vibrational frequencies of the appropriate modes. Reassuringly, the experimental observations were corroborated by our computations using the second-order Møller-Plesset perturbation theoretic method and coupled-cluster singles, doubles and perturbative triples method in conjunction with different Dunning basis sets, which indicated both these isomers to be stable minima, with the N-HṡṡṡC complex being the global minimum. Atoms-in-molecules and energy decomposition analysis were also carried out for the different isomers of the dimer. These studies reveal that replacing the three C-C linkages in benzene with three B-N linkages in borazine modifies the interaction in the dimer sufficiently, to result in a different potential energy landscape for the borazine-acetylene system when compared with the benzene-acetylene system.

  15. Acetylene reduction (nitrogen fixation) associated with corn inoculated with Spirillum.

    PubMed

    Barber, L E; Tjepkema, J D; Russell, S A; Evans, H J

    1976-07-01

    Sorghum and corn breeding lines were grown in soil in field and greenhouse experiments with and without an inoculum of N2-fixing in Spirillum strains from Brazil. Estimated rates of N2 fixation associated with field-grown corn and sorghum plants were less than 4 g of N2/ha per day. The mean estimated N2-fixation rates determined on segments of roots from corn inoculated with Spirillum and grown in the greenhouse at 24 to 27 degrees C were 15 g of N2/ha per day (16 inbreds), 25 g of N2/ha per day (six hybrids), and 165 g of N2/ha per day for one hybird which was heavily inoculated. The corresponding mean rates determined from measurements of in situ cultures of the same series of corn plants (i.e., 16 inbreds, six hybrids, and one heavily inoculated hybrid) were 0.4, 2.3, and 1.1 g of N2/ha per day, respectively. Lower rates of C2H2 reduction were associated with control corn cultures which had been treated with autoclaved Spirillum than with cultures inoculated with live Spirillum. No C2H2 reduction was detected in plant cultures treated with ammonium nitrate. Numbers of nitrogen-fixing bacteria on excised roots of corn plants increased an average of about 30-fold during an overnight preincubation period, and as a result acetylene reduction assays of root samples after preincubation failed to serve as a valid basis for estimating N2 fixation by corn in pot cultures. Plants grown without added nitrogen either with or without inoculum exhibited severe symptoms of nitrogen deficiency and in most cases produced significantly less dry weight than those supplied with fixed nitrogen. Although substantial rates of C2H2 reduction by excised corn roots were observed after preincubation under limited oxygen, the yield and nitrogen content of inoculated plants and the C2H2-reduction rates by inoculated pot cultures of corn, in situ, provided no evidence of appreciable N2 fixation.

  16. 41 CFR 50-204.66 - Acetylene.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    .... (b) The piped systems for the in-plant transfer and distribution of acetylene shall be designed..., Vapors, Fumes, Dusts, and Mists § 50-204.66 Acetylene. (a) The in-plant transfer, handling, storage, and...) Plants for the generation of acetylene and the charging (filling) of acetylene cylinders shall be...

  17. Initiation reactions in acetylene pyrolysis

    DOE PAGES

    Zador, Judit; Fellows, Madison D.; Miller, James A.

    2017-05-10

    In gas-phase combustion systems the interest in acetylene stems largely from its role in molecular weight growth processes. The consensus is that above 1500 K acetylene pyrolysis starts mainly with the homolytic fission of the C–H bond creating an ethynyl radical and an H atom. However, below ~1500 K this reaction is too slow to initiate the chain reaction. It has been hypothesized that instead of dissociation, self-reaction initiates this process. Nevertheless, rigorous theoretical or direct experimental evidence is lacking, to an extent that even the molecular mechanism is debated in the literature. In this work we use rigorous abmore » initio transition-state theory master equation methods to calculate pressure- and temperature-dependent rate coefficients for the association of two acetylene molecules and related reactions. We establish the role of vinylidene, the high-energy isomer of acetylene in this process, compare our results with available experimental data, and assess the competition between the first-order and second-order initiation steps. As a result, we also show the effect of the rapid isomerization among the participating wells and highlight the need for time-scale analysis when phenomenological rate coefficients are compared to observed time scales in certain experiments.« less

  18. Impact of operating conditions on the acetylene contamination in the cathode of proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Zhai, Yunfeng; St-Pierre, Jean

    2017-12-01

    Realistically, proton exchange membrane fuel cells (PEMFCs) are operated under varying operating conditions that potentially impact the acetylene contamination reactions. In this paper, the effects of the cell operating conditions on the acetylene contamination in PEMFCs are investigated under different current densities and temperatures with different acetylene concentrations in the cathode. Electrochemical impedance spectroscopy is applied during the constant-current operation to analyze the impacts of the operating conditions on the acetylene electrochemical reactions. The experimental results indicate that higher acetylene concentrations, higher current densities and lower cell temperatures decrease the cell performance more. In particular, cathode poisoning becomes more severe at medium cell current densities. The cell cathode potentials at such current densities are not sufficient to completely oxidize the intermediate or sufficiently low to completely reduce the adsorbed acetylene. Based on these investigations, the possible condition-dependent limitations of the acetylene concentration and cell operating voltage are proposed for insight into the acetylene contamination mitigation stratagem. Regarding the barrier conditions, the acetylene reactions change abruptly, and adjusting the cell operation parameters to change the acetylene adsorbate and intermediate accumulation conditions to induce complete oxidation or reduction conditions may mitigate the severe acetylene contamination effects on PEMFCs.

  19. Evaluation of Sorbents for Acetylene Separation in Atmosphere Revitalization Loop Closure

    NASA Technical Reports Server (NTRS)

    Abney, Morgan B.; Miller, Lee A.; Barton, Katherine

    2012-01-01

    State-of-the-art carbon dioxide reduction technology uses a Sabatier reactor to recover water from metabolic carbon dioxide. In order to maximize oxygen loop closure, a byproduct of the system, methane, must be reduced to recover hydrogen. NASA is currently exploring a microwave plasma methane pyrolysis system for this purpose. The resulting product stream of this technology includes unreacted methane, product hydrogen, and acetylene. The hydrogen and the small amount of unreacted methane resulting from the pyrolysis process can be returned to the Sabatier reactor thereby substantially improving the overall efficiency of the system. However, the acetylene is a waste product that must be removed from the pyrolysis product. Two materials have been identified as potential sorbents for acetylene removal: zeolite 4A, a commonly available commercial sorbent, and HKUST-1, a newly developed microporous metal. This paper provides an explanation of the rationale behind acetylene removal and the results of separation testing with both materials

  20. Evaluation of Sorbents for Acetylene Separation in Atmosphere Revitalization Loop Closure

    NASA Technical Reports Server (NTRS)

    Abney, Morgan B.; Miller, Lee A.; Barton, Katherine

    2011-01-01

    State-of-the-art carbon dioxide reduction technology uses a Sabatier reactor to recover water from metabolic carbon dioxide. In order to maximize oxygen loop closure, a byproduct of the system, methane, must be reduced to recover hydrogen. NASA is currently exploring a microwave plasma methane pyrolysis system for this purpose. The resulting product stream of this technology includes unreacted methane, product hydrogen, and acetylene. The hydrogen and the small amount of unreacted methane resulting from the pyrolysis process can be returned to the Sabatier reactor thereby substantially improving the overall efficiency of the system. However, the acetylene is a waste product that must be removed from the pyrolysis product. Two materials have been identified as potential sorbents for acetylene removal: zeolite 4A, a commonly available commercial sorbent, and HKUST-1, a newly developed microporous metal. This paper provides an explanation of the rationale behind acetylene removal and the results of separation testing with both materials.

  1. Effect of chronic oil pollution on salt-marsh nitrogen fixation (acetylene redution). [Spartina alterniflora

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

    Thomson, A.D.; Webb, K.L.

    1984-03-01

    Annual acetylene reduction rates associated with intertidal communities in a chronically oil polluted Virgina salt marsh were compared to rates measured in an undisturbed marsh. Chronic oil treatment resulted in visible damage to the higher plants of the Spartina alterniflora zones; however, vegetation-associated acetylene reduction was not different from the untreated control. Sediment rates generally were affected little by oil application, except during the summer when rates in the median tidal elevation zones were considerably higher than those of the control. Acetylene reduction occurred in all transects, each of which extended from upper mudflat to the Spartina patens zone. Intertidalmore » sediment acetylene reduction was patchy, both spatially and seasonally. Estimated rates were greatest near the surface; free-living bacterial N/sub 2/ fixation activity averaged 2.23 mg N per m/sup 2/ per d (range = undetectable to 365 mg N per m/sup 2/ per d) in the untreated and 3.17 mg N per m/sup 2/ per d (range = undetectable to 564 mg N per m/sup 2/ per d) in the oil-treated marsh during the year. Vegetation-associated N/sub 2/ fixation activity yielded highest overall mean rates (156 mg N per M/sub 2/ per d). The seasonal pattern of sediment and vegetation-associated fixation may be controlled by temperature and availability of oxidizable substrates. 39 references, 2 figures, 5 tables.« less

  2. Acetylenic carbon allotrope

    DOEpatents

    Lagow, R.J.

    1998-02-10

    A fourth allotrope of carbon, an acetylenic carbon allotrope, is described. The acetylenic carbon allotropes of the present invention are more soluble than the other known carbon allotropes in many common organic solvents and possesses other desirable characteristics, e.g. high electron density, ability to burn cleanly, and electrical conductive properties. Many uses for this fourth allotrope are described herein. 17 figs.

  3. Acetylenic carbon allotrope

    DOEpatents

    Lagow, Richard J.

    1998-01-01

    A fourth allotrope of carbon, an acetylenic carbon allotrope, is described. The acetylenic carbon allotropes of the present invention are more soluble than the other known carbon allotropes in many common organic solvents and possesses other desirable characteristics, e.g. high electron density, ability to burn cleanly, and electrical conductive properties. Many uses for this fourth allotrope are described herein.

  4. Acetylenic carbon allotrope

    DOEpatents

    Lagow, Richard J.

    1999-01-01

    A fourth allotrope of carbon, an acetylenic carbon allotrope, is described. The acetylenic carbon allotropes of the present invention are more soluble than the other known carbon allotropes in many common organic solvents and possesses other desirable characteristics, e.g. high electron density, ability to burn cleanly, and electrical conductive properties. Many uses for this fourth allotrope are described herein.

  5. Vapor pressures of acetylene at low temperatures

    NASA Technical Reports Server (NTRS)

    Masterson, C. M.; Allen, John E., Jr.; Kraus, G. F.; Khanna, R. K.

    1990-01-01

    The atmospheres of many of the outer planets and their satellites contain a large number of hydrocarbon species. In particular, acetylene (C2H2) has been identified at Jupiter, Saturn and its satellite Titan, Uranus and Neptune. In the lower atmospheres of these planets, where colder temperatures prevail, the condensation and/or freezing of acetylene is probable. In order to obtain accurate models of the acetylene in these atmospheres, it is necessary to have a complete understanding of its vapor pressures at low temperatures. Vapor pressures at low temperatures for acetylene are being determined. The vapor pressures are measured with two different techniques in order to cover a wide range of temperatures and pressures. In the first, the acetylene is placed in a sample tube which is immersed in a low temperature solvent/liquid nitrogen slush bath whose temperature is measured with a thermocouple. The vapor pressure is then measured directly with a capacitance manometer. For lower pressures, a second technique which was called the thin-film infrared method (TFIR) was developed. It involves measuring the disappearance rate of a thin film of acetylene at a particular temperature. The spectra are then analyzed using previously determined extinction coefficient values, to determine the disappearance rate R (where R = delta n/delta t, the number of molecules that disappear per unit time). This can be related to the vapor pressure directly. This technique facilitates measurement of the lower temperatures and pressures. Both techniques have been calibrated using CO2, and have shown good agreement with the existing literature data.

  6. Methane emissions measured at two California landfills by OTM-10 and an acetylene tracer method

    EPA Science Inventory

    Methane emissions were measured at two municipal solid waste landfills in California using static flux chambers, an optical remote sensing approach known as vertical radial plume mapping (VRPM) using a tunable diode laser (TDL) and a novel acetylene tracer method. The tracer meth...

  7. Acetylene terminated matrix resins

    NASA Technical Reports Server (NTRS)

    Goldfarb, I. J.; Lee, Y. C.; Arnold, F. E.; Helminiak, T. E.

    1985-01-01

    The synthesis of resins with terminal acetylene groups has provided a promising technology to yield high performance structural materials. Because these resins cure through an addition reaction, no volatile by-products are produced during the processing. The cured products have high thermal stability and good properties retention after exposure to humidity. Resins with a wide variety of different chemical structures between the terminal acetylene groups are synthesized and their mechanical properties studied. The ability of the acetylene cured polymers to give good mechanical properties is demonstrated by the resins with quinoxaline structures. Processibility of these resins can be manipulated by varying the chain length between the acetylene groups or by blending in different amounts of reactive deluents. Processing conditions similar to the state-of-the-art epoxy can be attained by using backbone structures like ether-sulfone or bis-phenol-A. The wide range of mechanical properties and processing conditions attainable by this class of resins should allow them to be used in a wide variety of applications.

  8. The vanadium nitrogenase of Azotobacter chroococcum. Reduction of acetylene and ethylene to ethane.

    PubMed Central

    Dilworth, M J; Eady, R R; Eldridge, M E

    1988-01-01

    1. The vanadium (V-) nitrogenase of Azobacter chroococcum transfers up to 7.4% of the electrons used in acetylene (C2H2) reduction for the formation of ethane (C2H6). The apparent Km for C2H2 (6 kPa) is the same for either ethylene (C2H4) or ethane (C2H6) formation and much higher than the reported Km values for C2H2 reduction to C2H4 by molybdenum (Mo-) nitrogenases. Reduction of C2H2 in 2H2O yields predominantly [cis-2H2]ethylene. 2. The ratio of electron flux yielding C2H6 to that yielding C2H4 (the C2H6/C2H4 ratio) is increased by raising the ratio of Fe protein to VFe protein and by increasing the assay temperature up to at least 40 degrees C. pH values above 7.5 decrease the C2H6/C2H4 ratio. 3. C2H4 and C2H6 formation from C2H2 by V-nitrogenase are not inhibited by H2. CO inhibits both processes much less strongly than it inhibits C2H4 formation from C2H2 with Mo-nitrogenase. 4. Although V-nitrogenase also catalyses the slow CO-sensitive reduction of C2H4 to C2H6, free C2H4 is not an intermediate in C2H6 formation from C2H2. 5. Propyne (CH3C identical to CH) is not reduced by the V-nitrogenase. 6. Some implications of these results for the mechanism of C2H6 formation by the V-nitrogenase are discussed. PMID:3162672

  9. 29 CFR 1910.102 - Acetylene.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 5 2012-07-01 2012-07-01 false Acetylene. 1910.102 Section 1910.102 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR OCCUPATIONAL SAFETY AND HEALTH STANDARDS Hazardous Materials § 1910.102 Acetylene. (a) Cylinders. Employers...

  10. 46 CFR 147.70 - Acetylene.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Acetylene. 147.70 Section 147.70 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) DANGEROUS CARGOES HAZARDOUS SHIPS' STORES Stowage and Other Special Requirements for Particular Materials § 147.70 Acetylene. (a) Seventeen cubic meters (600 standard...

  11. 46 CFR 147.70 - Acetylene.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Acetylene. 147.70 Section 147.70 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) DANGEROUS CARGOES HAZARDOUS SHIPS' STORES Stowage and Other Special Requirements for Particular Materials § 147.70 Acetylene. (a) Seventeen cubic meters (600 standard...

  12. 46 CFR 147.70 - Acetylene.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Acetylene. 147.70 Section 147.70 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) DANGEROUS CARGOES HAZARDOUS SHIPS' STORES Stowage and Other Special Requirements for Particular Materials § 147.70 Acetylene. (a) Seventeen cubic meters (600 standard...

  13. 46 CFR 147.70 - Acetylene.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Acetylene. 147.70 Section 147.70 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) DANGEROUS CARGOES HAZARDOUS SHIPS' STORES Stowage and Other Special Requirements for Particular Materials § 147.70 Acetylene. (a) Seventeen cubic meters (600 standard...

  14. 46 CFR 147.70 - Acetylene.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Acetylene. 147.70 Section 147.70 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) DANGEROUS CARGOES HAZARDOUS SHIPS' STORES Stowage and Other Special Requirements for Particular Materials § 147.70 Acetylene. (a) Seventeen cubic meters (600 standard...

  15. Research in acetylene containing monomers

    NASA Technical Reports Server (NTRS)

    Ogliaruso, M. A.

    1976-01-01

    The preparation of precursor bisbenzils with pendant acetylene linkages for use in the synthesis of new aromatic poly (phenyl quinoxalines) was investigated. Attempts to condense para, para prime-dibromo benzil and potassium acetylide in liquid ammonia and in toluene, to prepare 4-phenyl acetyl phenyl ether, 4-(paraacetylphenyl) acetyl phenyl ether, 4-phenyl acetyl-4 primeacetyl phenyl acetyl phenyl ether, the reaction of 4-phenyl acetyl phenyl ether with Villsmeier reagent to prepare 4-(beta-chloro cinnamaldehyde) phenyl ether, the reaction of 4-(para-acetyl phenyl) acetyl phenyl ether with Villsmeier reagent, and the oxidation of bibenzil to prepare benzil are described. The reactions of phenyl acetylene with oxidizing agent, of phenyl acetylene with bromine, of 1,1,2,2-tetrabromo ethyl benzene with zinc and with oxidizing agent are described.

  16. Measurements of acetylene in air extracted from polar ice cores

    NASA Astrophysics Data System (ADS)

    Nicewonger, M. R.; Aydin, M.; Montzka, S. A.; Saltzman, E. S.

    2016-12-01

    Acetylene (ethyne) is a non-methane hydrocarbon emitted during combustion of fossil fuels, biofuels, and biomass. The major atmospheric loss pathway of acetylene is oxidation by hydroxyl radical with a lifetime estimated at roughly two weeks. The mean annual acetylene levels over Greenland and Antarctica are 250 ppt and 20 ppt, respectively. Firn air measurements suggest atmospheric acetylene is preserved unaltered in polar snow and firn. Atmospheric reconstructions based on firn air measurements indicate acetylene levels rose significantly during the twentieth century, peaked near 1980, then declined to modern day levels. This historical trend is similar to that of other fossil fuel-derived non-methane hydrocarbons. In the preindustrial atmosphere, acetylene levels should primarily reflect emissions from biomass burning. In this study, we present the first measurements of acetylene in preindustrial air extracted from polar ice cores. Air from fluid and dry-drilled ice cores from Summit, Greenland and WAIS-Divide Antarctica is extracted using a wet-extraction technique. The ice core air is analyzed using gas chromatography and high-resolution mass spectrometry. Between 1400 to 1800 C.E., acetylene levels over Greenland and Antarctica varied between roughly 70-120 ppt and 10-30 ppt, respectively. The preindustrial Greenland acetylene levels are significantly lower than modern levels, reflecting the importance of northern hemisphere fossil fuel sources today. The preindustrial Antarctic acetylene levels are comparable to modern day levels, indicating similar emissions in the preindustrial atmosphere, likely from biomass burning. The implications of the preindustrial atmospheric acetylene records from both hemispheres will be discussed.

  17. Improved Graphite Fiber/Acetylene Terminated Matrix Resin Prepreg Products

    DTIC Science & Technology

    1988-03-01

    AFWAL-TR-80-4151, "The Synthesis of Polymer Precursor and Exploratory Research Based on Acetylene Displacement Reaction," E.T. Sabourin , Gulf...Acetylene Terminated Quinoxalines," E.T. Sabourin , Gulf Research and Development Co., July 1982. ACETYLENE TERMINATED TECHNOLOGY BIBLIOGRAPHY SYNTHESIS AND

  18. Acetylene Fermentation: Relevance to Primordial Biogeochemistry and the Search for Life in the Outer Solar System

    NASA Astrophysics Data System (ADS)

    Oremland, R. S.; Baesman, S. M.; Miller, L. G.

    2013-12-01

    Acetylene is a highly reactive component of planet(oid)s with anoxic, methane-rich atmospheres, such as Jupiter, Saturn, Titan, and perhaps the primordial Earth. Included in this group is Enceladus, although it is not clear if the acetylene detected within its jets by Cassini was formed by photolysis of methane, from thermo-catalysis of organic matter in the orb's interior, or a fragmentation artifact of the mass spectrum of a larger hydrocarbon. Acetylene inhibits many microbial processes (e.g., methanogenesis, methane oxidation, hydrogen metabolism, denitrification) yet a number of anaerobes can use it as a carbon and energy source to support growth. The best studied is Pelobacter acetylenicus, which carries out a two-step reaction involving the enzymes acetylene hydratase and acetaldehyde dismutase. The former, a low potential W-containing enzyme, forms acetaldehyde while the latter produces ethanol and acetate. Metabolism of acetylene by mixed microbial communities (sediments and/or enrichment cultures) produces these intermediates, and when coupled with sulfate-reduction or methanogenesis respectively forms CO2 or an equal mixtures of CO2 plus CH4. It is not inconceivable that such an anaerobic, microbial food chain could exist in the waters beneath the ice cap of Enceladus, Titan, or even in the mesothermal atmospheric regions of the gas giants. Detection of the identified intermediate products of acetylene fermentation, namely acetaldehyde, ethanol, acetate and formate in the atmospheres of these planet(oid)s would constitute evidence for a microbial life signature. This evidence would be strongly reinforced if a stable carbon isotope fractionation was identified as well, whereby the products of acetylene fermentation were enriched in 12C relative to 13C (i.e., had a lighter δ13C signal) when compared to that of the starting acetylene. The most practical target to test this hypothesis would be Enceladus (if the detected acetylene is shown to be a real

  19. Chemistry of acetylene on platinum (111) and (100) surfaces

    PubMed Central

    Muetterties, E. L.; Tasi, M.-C.; Kelemen, S. R.

    1981-01-01

    An ultra-high vacuum experimental study of acetylene chemisorption on Pt(111) and Pt(100) and of the reaction of hydrogen with the acetylene adsorbate has established distinguishing features of carbon-hydrogen bond breaking and making processes as a function of pressure, temperature, and surface crystallography. The rates for both processes are substantially higher on the Pt(100) surface. Net acetylene-hydrogen processes, in the temperature range of 20°C to ≈130°C, are distinctly different on the two surfaces: on Pt(100) the net reaction is hydrogen exchange (1H-2H exchange) and on Pt(111) the only detectable reaction is hydrogenation. Stereochemical differences in the acetylene adsorbate structure are considered to be a contributing factor to the differences in acetylene chemistry on these two surfaces. Images PMID:16593110

  20. Characterization of the Minimum Energy Paths and Energetics for the Reaction of Vinylidene with Acetylene

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Taylor, Peter R.

    1995-01-01

    The reaction of vinylidene (CH2C) with acetylene may be an initiating reaction in soot formation. We report minimum energy paths and accurate energetics for a pathway leading to vinyl-acetylene and for a number of isomers of C4H4. The calculations use complete active space self-consistent field (CASSCF) derivative methods to characterize the stationary points and internally contacted configuration interaction (ICCI) and/or coupled cluster singles and doubles with a perturbational estimate of triple excitations (CCSD(T)) to determine the energetics. We find an entrance channel barrier of about 5 kcal/mol for the addition of vinylidene to acetylene, but no barriers above reactants for the reaction pathway leading to vinyl-acetylene.

  1. 46 CFR 56.50-103 - Fixed oxygen-acetylene distribution piping.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 2 2011-10-01 2011-10-01 false Fixed oxygen-acetylene distribution piping. 56.50-103... oxygen-acetylene distribution piping. (a) This section applies to fixed piping installed for the distribution of oxygen and acetylene carried in cylinders as vessels stores. (b) The distribution piping shall...

  2. 46 CFR 56.50-103 - Fixed oxygen-acetylene distribution piping.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 2 2014-10-01 2014-10-01 false Fixed oxygen-acetylene distribution piping. 56.50-103... oxygen-acetylene distribution piping. (a) This section applies to fixed piping installed for the distribution of oxygen and acetylene carried in cylinders as vessels stores. (b) The distribution piping shall...

  3. 46 CFR 56.50-103 - Fixed oxygen-acetylene distribution piping.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 2 2010-10-01 2010-10-01 false Fixed oxygen-acetylene distribution piping. 56.50-103... oxygen-acetylene distribution piping. (a) This section applies to fixed piping installed for the distribution of oxygen and acetylene carried in cylinders as vessels stores. (b) The distribution piping shall...

  4. 46 CFR 56.50-103 - Fixed oxygen-acetylene distribution piping.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 2 2012-10-01 2012-10-01 false Fixed oxygen-acetylene distribution piping. 56.50-103... oxygen-acetylene distribution piping. (a) This section applies to fixed piping installed for the distribution of oxygen and acetylene carried in cylinders as vessels stores. (b) The distribution piping shall...

  5. 46 CFR 56.50-103 - Fixed oxygen-acetylene distribution piping.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 2 2013-10-01 2013-10-01 false Fixed oxygen-acetylene distribution piping. 56.50-103... oxygen-acetylene distribution piping. (a) This section applies to fixed piping installed for the distribution of oxygen and acetylene carried in cylinders as vessels stores. (b) The distribution piping shall...

  6. Acetylenes and dichloroanisoles from Psathyrella scobinacea.

    PubMed

    Taha, A A

    2000-12-01

    The Et2O extract from Psathyrella scobinacea culture fluids contained three new acetylenic alcohols: deca-5,7,9-triynol, (-)hepta-4,6-diyne-2,3-diol, and (-)hept-cis 4-en-6-yne-2,3-diol; two known dichloroanisoles: 3,5-dichloro-4-methoxybenzaldehyde and 3,5-dichloro-4-methoxybenzyl alcohol; and three known acetylenic acids: octa-2,4,6-triynoic acid, dec-trans-2-ene-4,6,8-triynoic acid and its cis-isomer.

  7. Acetylene around Jupiter Poles

    NASA Image and Video Library

    2010-12-29

    This graphic shows the distribution of the organic molecule acetylene at the north and south poles of Jupiter, based on data obtained by NASA Cassini spacecraft in early January 2001. Movie is available at the Photojournal.

  8. Detection of diazotrophy in the acetylene-fermenting anaerobe Pelobacter sp. strain SFB93

    USGS Publications Warehouse

    Akob, Denise M.; Baesman, Shaun; Sutton, John M.; Fierst, Janna L.; Mumford, Adam; Shrestha, Yesha; Poret-Peterson, Amisha T.; Bennett, Stacy; Dunlap, Darren S.; Haase, Karl B.; Oremland, Ronald S.

    2017-01-01

    Acetylene (C2H2) is a trace constituent of the present Earth's oxidizing atmosphere, reflecting a mixture of terrestrial and marine emissions from anthropogenic, biomass-burning, and unidentified biogenic sources. Fermentation of acetylene was serendipitously discovered during C2H2 block assays of N2O reductase, and Pelobacter acetylenicus was shown to grow on C2H2 via acetylene hydratase (AH). AH is a W-containing, catabolic, low-redox-potential enzyme that, unlike nitrogenase (N2ase), is specific for acetylene. Acetylene fermentation is a rare metabolic process that is well characterized only in P. acetylenicus DSM3246 and DSM3247 and Pelobacter sp. strain SFB93. To better understand the genetic controls for AH activity, we sequenced the genomes of the three acetylene-fermenting Pelobacter strains. Genome assembly and annotation produced three novel genomes containing gene sequences for AH, with two copies being present in SFB93. In addition, gene sequences for all five compulsory genes for iron-molybdenum N2ase were also present in the three genomes, indicating the cooccurrence of two acetylene transformation pathways. Nitrogen fixation growth assays showed that DSM3426 could ferment acetylene in the absence of ammonium, but no ethylene was produced. However, SFB93 degraded acetylene and, in the absence of ammonium, produced ethylene, indicating an active N2ase. Diazotrophic growth was observed under N2 but not in experimental controls incubated under argon. SFB93 exhibits acetylene fermentation and nitrogen fixation, the only known biochemical mechanisms for acetylene transformation. Our results indicate complex interactions between N2ase and AH and suggest novel evolutionary pathways for these relic enzymes from early Earth to modern days.

  9. Recent New Methodologies for Acetylenic Polymers with Advanced Functionalities.

    PubMed

    Qiu, Zijie; Han, Ting; Lam, Jacky W Y; Tang, Ben Zhong

    2017-08-01

    Polymers synthesized from acetylenic monomers often possess electronically unsaturated fused rings and thus show versatile optoelectronic properties and advanced functionalities. To expand the family of acetylenic polymers, development of new catalyst systems and synthetic routes is critically important. We summarize herein recent research progress on development of new methodologies towards functional polymers using alkyne building blocks since 2014. The polymerizations are categorized by the number of monomer components, namely homopolymerizations, two-component polymerizations, and multicomponent polymerizations. The properties and applications of acetylenic polymers, such as aggregation-induced emission, fluorescent photopatterning, light refraction, chemosensing, mechanochromism, chain helicity, etc., are also discussed.

  10. 46 CFR 151.50-79 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... suction line. (c) The piping system, including the cargo refrigeration system, for tanks to be loaded with methyl acetylene-propadiene mixture must be completely separate from piping and refrigeration systems for other tanks. If the piping system for the tanks to be loaded with methyl acetylene-propadiene mixture is...

  11. 46 CFR 151.50-79 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... suction line. (c) The piping system, including the cargo refrigeration system, for tanks to be loaded with methyl acetylene-propadiene mixture must be completely separate from piping and refrigeration systems for other tanks. If the piping system for the tanks to be loaded with methyl acetylene-propadiene mixture is...

  12. Structure and Function of the Unusual Tungsten Enzymes Acetylene Hydratase and Class II Benzoyl-Coenzyme A Reductase.

    PubMed

    Boll, Matthias; Einsle, Oliver; Ermler, Ulrich; Kroneck, Peter M H; Ullmann, G Matthias

    2016-01-01

    In biology, tungsten (W) is exclusively found in microbial enzymes bound to a bis-pyranopterin cofactor (bis-WPT). Previously known W enzymes catalyze redox oxo/hydroxyl transfer reactions by directly coordinating their substrates or products to the metal. They comprise the W-containing formate/formylmethanofuran dehydrogenases belonging to the dimethyl sulfoxide reductase (DMSOR) family and the aldehyde:ferredoxin oxidoreductase (AOR) families, which form a separate enzyme family within the Mo/W enzymes. In the last decade, initial insights into the structure and function of two unprecedented W enzymes were obtained: the acetaldehyde forming acetylene hydratase (ACH) belongs to the DMSOR and the class II benzoyl-coenzyme A (CoA) reductase (BCR) to the AOR family. The latter catalyzes the reductive dearomatization of benzoyl-CoA to a cyclic diene. Both are key enzymes in the degradation of acetylene (ACH) or aromatic compounds (BCR) in strictly anaerobic bacteria. They are unusual in either catalyzing a nonredox reaction (ACH) or a redox reaction without coordinating the substrate or product to the metal (BCR). In organic chemical synthesis, analogous reactions require totally nonphysiological conditions depending on Hg2+ (acetylene hydration) or alkali metals (benzene ring reduction). The structural insights obtained pave the way for biological or biomimetic approaches to basic reactions in organic chemistry. © 2016 S. Karger AG, Basel.

  13. Tropospheric and lower stratospheric vertical profiles of ethane and acetylene

    NASA Technical Reports Server (NTRS)

    Cronn, D.; Robinson, E.

    1979-01-01

    The first known vertical distributions of ethane and acetylene which extend into the lower stratosphere are reported. The average upper tropospheric concentrations, between 20,000 ft and 35,000 ft, near 37 deg N-123 deg W were 1.2 micrograms/cu m (1.0 ppb) for ethane and 0.24 micrograms /cu m (0.23 ppb) for acetylene while the values near 9 N-80 W were 0.95 micrograms/cu m (0.77 ppb) and 0.09 micrograms/cu m (0.09 ppb), respectively. Detectable quantities of both ethane and acetylene are present in the lower stratosphere. There is a sharp decrease in the levels of these two compounds as one crosses the tropopause and ascends into the lower stratosphere. The observed levels of ethane and acetylene may allow some impact on the background chemistry of the troposphere and stratosphere.

  14. Pulsed-induced electromagnetically induced transparency in the acetylene-filled hollow-core fibers

    NASA Astrophysics Data System (ADS)

    Rodríguez, Nayeli Casillas; Stepanov, Serguei; Miramontes, Manuel Ocegueda; Hernández, Eliseo Hernández

    2017-06-01

    Experimental results on pulsed excitation of electromagnetically induced transparency (EIT) in the acetylene-filled hollow-core photonic crystal fiber (HC-PCF) at pressures 0.1-0.4 Torr are reported. The EIT was observed both in Λ and V interaction configurations with the continuous probe wave tuned to R9 (1520.08 nm) acetylene absorption line and with the control pulses tuned to P11 (1531.58 nm) and P9 (1530.37 nm) lines, respectively. The utilized control pulses were of up to 40 ns duration with <2.5 ns fronts and with maximum input power 1 W. The maximum modulation depth of the initial probe wave absorption via EIT was up to 40 and 15% for the co- and counter-propagation of the probe and control waves, respectively, and importance of the waves polarization matching was demonstrated. For a qualitative explanation of reduction in the counter-propagation EIT efficiency a simple model of the accelerated mismatch of the two-frequency EIT resonance with deviation of the molecule thermal velocity from the resonance value was utilized. It was shown experimentally that the EIT efficiencies in both configurations do not depend on the longitudinal velocity of the molecules. The characteristic relaxation time of the of the EIT response was found to be about 9 ns, i.e., is close to the relaxation times T 1,2 of the acetylene molecules under the utilized experimental conditions.

  15. Association Mechanisms of Unsaturated C2 Hydrocarbons with Their Cations: Acetylene and Ethylene

    NASA Technical Reports Server (NTRS)

    Bera, Partha P.; Head-Gordon, Martin; Lee, Timothy J.

    2013-01-01

    The ion-molecule association mechanism of acetylene and ethylene with their cations is investigated by ab initio quantum chemical methods to understand the structures, association energies, and the vibrational and electronic spectra of the products. Stable puckered cyclic isomers are found as the result of first forming less stable linear and bridge isomers. The puckered cyclic complexes are calculated to be strongly bound, by 87, 35 and 56 kcal/mol for acetylene-acetylene cation, ethylene-ethylene cation and acetylene-ethylene cation, respectively. These stable complexes may be intermediates that participate in further association reactions. There are no association barriers, and no significant inter-conversion barriers, so the initial linear and bridge encounter complexes are unlikely to be observable. However, the energy gap between the bridged and cyclic puckered isomers greatly differs from complex to complex: it is 44 kcal/mol in C4H4 +, but only 6 kcal/mol in C4H8 +. The accurate CCSD(T) calculations summarized above are also compared against less computationally expensive MP2 and density functional theory (DFT) calculations for structures, relative energies, and vibrational spectra. Calculated vibrational spectra are compared against available experiments for cyclobutadiene cation. Electronic spectra are also calculated using time-dependent DFT.

  16. Interstitial pneumonitis after acetylene welding: a case report.

    PubMed

    Brvar, Miran

    2014-01-01

    Acetylene is a colorless gas commonly used for welding. It acts mainly as a simple asphyxiant. In this paper, however, we present a patient who developed a severe interstitial pneumonitis after acetylene exposure during aluminum welding. A 44-year old man was welding with acetylene, argon and aluminum electrode sticks in a non-ventilated aluminum tank for 2 h. Four hours after welding dyspnea appeared and 22 h later he was admitted at the Emergency Department due to severe respiratory insufficiency with pO2 = 6.7 kPa. Chest X-ray showed diffuse interstitial infiltration. Pulmonary function and gas diffusion tests revealed a severe restriction (55% of predictive volume) and impaired diffusion capacity (47% of predicted capacity). Toxic interstitial pneumonitis was diagnosed and high-dose systemic corticosteroid methylprednisolone and inhalatory corticosteroid fluticasone therapy was started. Computed Tomography (CT) of the lungs showed a diffuse patchy ground-glass opacity with no signs of small airway disease associated with interstitial pneumonitis. Corticosteroid therapy was continued for the next 8 weeks gradually reducing the doses. The patient's follow-up did not show any deterioration of respiratory function. In conclusion, acetylene welding might result in severe toxic interstitial pneumonitis that improves after an early systemic and inhalatory corticosteroid therapy.

  17. KISS: Kinetics and Structure of Superagglomerates Produced by Silane and Acetylene

    NASA Technical Reports Server (NTRS)

    Mulholland, G. W.; Yang, J. C.; Scott, J. H.; Sivithanu, Y.

    2001-01-01

    The objective of this study is to understand the process of gas phase agglomeration leading to superagglomerates and a gel-like structure for microgravity (0-g) silane and acetylene flames. Ultimately one would apply this understanding to predicting flame conditions that could lead to the gas phase production of an aero-gel. The approach is to burn acetylene and silane and to analyze the evolution of the soot and silica agglomerates. Acetylene is chosen because it has one of the highest soot volume fractions and there is evidence of super agglomerates being formed in laminar acetylene flames. Silane has the advantage that silica particles are the major combustion product resulting in a particle volume fraction a factor of ten greater than that for a carbonaceous smoke.

  18. Design and experimental investigations on six-stroke SI engine using acetylene with water injection.

    PubMed

    Gupta, Keshav; Suthar, Kishanlal; Jain, Sheetal Kumar; Agarwal, Ghanshyam Das; Nayyar, Ashish

    2018-06-02

    In the present study, a four-stroke cycle gasoline engine is redesigned and converted into a six-stroke cycle engine and experimental study has been conducted using gasoline and acetylene as fuel with water injection at the end of the recompression stroke. Acetylene has been used as an alternative fuel along with gasoline and performance of the six-stroke spark ignition (SI) engine with these two fuels has been studied separately and compared. Brake power and thermal efficiency are found to be 5.18 and 1.55% higher with acetylene as compared to gasoline in the six-stroke engine. However, thermal efficiency is found to be 45% higher with acetylene in the six-stroke engine as compared to four-stroke SI engine. The CO and HC emissions were found to be reduced by 13.33 and 0.67% respectively with acetylene as compared to gasoline due to better combustion of acetylene. The NO x emission was reduced by 5.65% with acetylene due to lower peak temperature by water injection. The experimental results showed better engine performance and emissions with acetylene as fuel in the six-stroke engine.

  19. Assessing the long-term variability of acetylene and ethane in the stratosphere of Jupiter

    NASA Astrophysics Data System (ADS)

    Melin, Henrik; Fletcher, L. N.; Donnelly, P. T.; Greathouse, T. K.; Lacy, J. H.; Orton, G. S.; Giles, R. S.; Sinclair, J. A.; Irwin, P. G. J.

    2018-05-01

    Acetylene (C2H2) and ethane (C2H6) are both produced in the stratosphere of Jupiter via photolysis of methane (CH4). Despite this common source, the latitudinal distribution of the two species is radically different, with acetylene decreasing in abundance towards the pole, and ethane increasing towards the pole. We present six years of NASA IRTF TEXES mid-infrared observations of the zonally-averaged emission of methane, acetylene and ethane. We confirm that the latitudinal distributions of ethane and acetylene are decoupled, and that this is a persistent feature over multiple years. The acetylene distribution falls off towards the pole, peaking at ∼ 30°N with a volume mixing ratio (VMR) of ∼ 0.8 parts per million (ppm) at 1 mbar and still falling off at ± 70° with a VMR of ∼ 0.3 ppm. The acetylene distributions are asymmetric on average, but as we move from 2013 to 2017, the zonally-averaged abundance becomes more symmetric about the equator. We suggest that both the short term changes in acetylene and its latitudinal asymmetry is driven by changes to the vertical stratospheric mixing, potentially related to propagating wave phenomena. Unlike acetylene, ethane has a symmetric distribution about the equator that increases toward the pole, with a peak mole fraction of ∼ 18 ppm at about ± 50° latitude, with a minimum at the equator of ∼ 10 ppm at 1 mbar. The ethane distribution does not appear to respond to mid-latitude stratospheric mixing in the same way as acetylene, potentially as a result of the vertical gradient of ethane being much shallower than that of acetylene. The equator-to-pole distributions of acetylene and ethane are consistent with acetylene having a shorter lifetime than ethane that is not sensitive to longer advective timescales, but is augmented by short-term dynamics, such as vertical mixing. Conversely, the long lifetime of ethane allows it to be transported to higher latitudes faster than it can be chemically depleted.

  20. Acetylene as a substrate in the development of primordial bacterial communities

    USGS Publications Warehouse

    Culbertson, C.W.; Strohmaier, F.E.; Oremland, R.S.

    1988-01-01

    The fermentation of atmospheric acetylene by anaerobic bacteria is proposed as the basis of a primordial heterotrophic food chain. The accumulation of fermentation products (acetaldehyde, ethanol, acetate and hydrogen) would create niches for sulfate-respiring bacteria as well as methanogens. Formation of acetylene-free environments in soils and sediments would also alter the function of nitrogenase from detoxification to nitrogen-fixation. The possibility of an acetylene-based anaerobic food chain in Jovian-type atmospheres is discussed. ?? 1988 Kluwer Academic Publishers.

  1. Groundwater remediation engineering sparging using acetylene--study on the flow distribution of air.

    PubMed

    Zheng, Yan-Mei; Zhang, Ying; Huang, Guo-Qiang; Jiang, Bin; Li, Xin-Gang

    2005-01-01

    Air sparging (AS) is an emerging method to remove VOCs from saturated soils and groundwater. Air sparging performance highly depends on the air distribution resulting in the aquifer. In order to study gas flow characterization, a two-dimensional experimental chamber was designed and installed. In addition, the method by using acetylene as the tracer to directly image the gas distribution results of AS process has been put forward. Experiments were performed with different injected gas flow rates. The gas flow patterns were found to depend significantly on the injected gas flow rate, and the characterization of gas flow distributions in porous media was very different from the acetylene tracing study. Lower and higher gas flow rates generally yield more irregular in shape and less effective gas distributions.

  2. Ethane and acetylene abundances in the Jovian atmosphere

    NASA Technical Reports Server (NTRS)

    Tokunaga, A.; Knacke, R. F.; Owen, T.

    1976-01-01

    The paper reports spectra of Jupiter in the spectral region from 755 to 850 kaysers, which covers the nu-9 fundamental of ethane and contains lines from the R branch of the nu-5 fundamental of acetylene. The monochromatic absorption coefficient of the central Q branch of the nu-9 fundamental of ethane, which was determined in the laboratory, is applied in a radiative-transfer calculation to evaluate the ethane mixing ratio in the Jovian atmosphere; the present data are also used to place an upper limit on the acetylene mixing ratio. For the radiative-transfer calculation, emission intensity is computed for the region above the 0.02-atm level assuming both an isothermal inversion layer and a previously reported temperature profile. The resulting maximum mixing ratios consistent with the observations are 0.00003 for ethane and 7.5 by 10 to the -8th power for acetylene.

  3. Complete genome sequences of two acetylene-fermenting Pelobacter acetylenicus strains

    USGS Publications Warehouse

    Sutton, John M.; Baesman, Shaun; Fierst, Janna L.; Poret-Peterson, Amisha T.; Oremland, Ronald S.; Dunlap, Darren S.; Akob, Denise M.

    2017-01-01

    Acetylene fermentation is a rare metabolism that was serendipitously discovered during C2H2-block assays of N2O reductase. Here, we report the genome sequences of two type strains of acetylene-fermenting Pelobacter acetylenicus, the freshwater bacterium DSM 3246 and the estuarine bacterium DSM 3247.

  4. The kinetics of the reduction of isocyanides, acetylenes and the cyanide ion by nitrogenase preparation from Azotobacter chroococcum and the effects of inhibitors

    PubMed Central

    Kelly, M.

    1968-01-01

    1. Nitrogen-fixing preparations from Azotobacter chroococcum reduced substrates with the following Km values: methyl isocyanide, 1·8×10−4m; ethyl isocyanide, 2·5×10−2m; cyanide ion, 1·4×10−3m; acetylene, 1·2×10−4m. 2. Nitrogen, carbon monoxide or hydrogen competitively inhibited isocyanide reduction with the following Ki values: hydrogen, 1·3×10−3m; carbon monoxide, 6·8×10−6m; nitrogen, 4·3×10−4m. 3. Living nitrogen-fixing bacteria, and isolated clover nodules, formed methane from methyl isocyanide. 4. These results are discussed in relation to other work and possible mechanisms of nitrogen fixation. PMID:5642620

  5. Promising SiC support for Pd catalyst in selective hydrogenation of acetylene to ethylene

    NASA Astrophysics Data System (ADS)

    Guo, Zhanglong; Liu, Yuefeng; Liu, Yan; Chu, Wei

    2018-06-01

    In this study, SiC supported Pd nanoparticles were found to be an efficient catalyst in acetylene selective hydrogenation reaction. The ethylene selectivity can be about 20% higher than that on Pd/TiO2 catalyst at the same acetylene conversion at 90%. Moreover, Pd/SiC catalyst showed a stable catalytic life at 65 °C with 80% ethylene selectivity. With the detailed characterization using temperature-programmed reduction (H2-TPR), powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), N2 adsorption/desorption analysis, CO-chemisorption and thermo-gravimetric analysis (TGA), it was found that SiC owns a lower surface area (22.9 m2/g) and a broad distribution of meso-/macro-porosity (from 5 to 65 nm), which enhanced the mass transfer during the chemical process at high reaction rate and decreased the residence time of ethylene on catalyst surface. Importantly, SiC support has the high thermal conductivity, which favored the rapid temperature homogenization through the catalyst bed and inhabited the over-hydrogenation of acetylene. The surface electronic density of Pd on Pd/SiC catalyst was higher than that on Pd/TiO2, which could promote desorption of ethylene from surface of the catalyst. TGA results confirmed a much less coke deposition on Pd/SiC catalyst.

  6. Mechanism of tungsten-dependent acetylene hydratase from quantum chemical calculations.

    PubMed

    Liao, Rong-Zhen; Yu, Jian-Guo; Himo, Fahmi

    2010-12-28

    Acetylene hydratase is a tungsten-dependent enzyme that catalyzes the nonredox hydration of acetylene to acetaldehyde. Density functional theory calculations are used to elucidate the reaction mechanism of this enzyme with a large model of the active site devised on the basis of the native X-ray crystal structure. Based on the calculations, we propose a new mechanism in which the acetylene substrate first displaces the W-coordinated water molecule, and then undergoes a nucleophilic attack by the water molecule assisted by an ionized Asp13 residue at the active site. This is followed by proton transfer from Asp13 to the newly formed vinyl anion intermediate. In the subsequent isomerization, Asp13 shuttles a proton from the hydroxyl group of the vinyl alcohol to the α-carbon. Asp13 is thus a key player in the mechanism, but also W is directly involved in the reaction by binding and activating acetylene and providing electrostatic stabilization to the transition states and intermediates. Several other mechanisms are also considered but the energetic barriers are found to be very high, ruling out these possibilities.

  7. Tracing Acetylene Dissolved in Transformer Oil by Tunable Diode Laser Absorption Spectrum.

    PubMed

    Ma, Guo-Ming; Zhao, Shu-Jing; Jiang, Jun; Song, Hong-Tu; Li, Cheng-Rong; Luo, Ying-Ting; Wu, Hao

    2017-11-02

    Dissolved gas analysis (DGA) is widely used in monitoring and diagnosing of power transformer, since the insulation material in the power transformer decomposes gases under abnormal operation condition. Among the gases, acetylene, as a symbol of low energy spark discharge and high energy electrical faults (arc discharge) of power transformer, is an important monitoring parameter. The current gas detection method used by the online DGA equipment suffers from problems such as cross sensitivity, electromagnetic compatibility and reliability. In this paper, an optical gas detection system based on TDLAS technology is proposed to detect acetylene dissolved in transformer oil. We selected a 1530.370 nm laser in the near infrared wavelength range to correspond to the absorption peak of acetylene, while using the wavelength modulation strategy and Herriott cell to improve the detection precision. Results show that the limit of detection reaches 0.49 ppm. The detection system responds quickly to changes of gas concentration and is easily to maintenance while has no electromagnetic interference, cross-sensitivity, or carrier gas. In addition, a complete detection process of the system takes only 8 minutes, implying a practical prospect of online monitoring technology.

  8. Siloxane containing addition polyimides. II - Acetylene terminated polyimides

    NASA Technical Reports Server (NTRS)

    Maudgal, S.; St. Clair, T. L.

    1984-01-01

    Acetylene terminated polyimide oligomers having a range of molecular weights have been synthesized by reacting bis (gamma-aminopropyl) tetramethyldisiloxane, aminophenylacetylene and 3, 3', 4, 4' benzophenonetetracarboxylic dianhydride in different molar ratios. The prepolymers were isolated and characterized for melt flow and cure properties. They show promise as adhesives for bonding titanium to titanium and as matrix resins for graphite cloth reinforced composites. The most promising system has been blended in varying proportions with Thermid 600, a commercially available acetylene terminated polyimide oligomer, and the mixtures have been tested for application as composite matrix resins.

  9. Acetylene measurement in flames by chirp-based quantum cascade laser spectrometry.

    PubMed

    Quine, Zachary R; McNesby, Kevin L

    2009-06-01

    We have designed and characterized a mid-IR spectrometer built around a pulsed distributed-feedback quantum cascade laser using the characteristic frequency down-chirp to scan through the spectral region 6.5 cm(-1) spectral region. The behavior of this chirp is extensively measured. The accuracy and detection limits of the system as an absorption spectrometer are demonstrated first by measuring spectra of acetylene through a single pass 16 cm absorption cell in real time at low concentrations and atmospheric pressure. The smallest detectable peak is measured to be approximately 1.5 x 10(-4) absorbance units, yielding a minimum detectable concentration length product of 2.4 parts per million meter at standard temperature and pressure. This system is then used to detect acetylene within an ethylene-air opposed flow flame. Measurements of acetylene content as a function of height above the fuel source are presented, as well as measurements of acetylene produced in fuel breakdown as a function of preinjection fuel temperature.

  10. Acetylene hydratase: a non-redox enzyme with tungsten and iron-sulfur centers at the active site.

    PubMed

    Kroneck, Peter M H

    2016-03-01

    In living systems, tungsten is exclusively found in microbial enzymes coordinated by the pyranopterin cofactor, with additional metal coordination provided by oxygen and/or sulfur, and/or selenium atoms in diverse arrangements. Prominent examples are formate dehydrogenase, formylmethanofuran dehydrogenase, and aldehyde oxidoreductase all of which catalyze redox reactions. The bacterial enzyme acetylene hydratase (AH) stands out of its class as it catalyzes the conversion of acetylene to acetaldehyde, clearly a non-redox reaction and a reaction distinct from the reduction of acetylene to ethylene by nitrogenase. AH harbors two pyranopterins bound to W, and a [4Fe-4S] cluster. W is coordinated by four dithiolene sulfur atoms, one cysteine sulfur, and one oxygen ligand. AH activity requires a strong reductant suggesting W(IV) as the active oxidation state. Two different types of reaction pathways have been proposed. The 1.26 Å structure reveals a water molecule coordinated to W which could gain a partially positive net charge by the adjacent protonated Asp-13, enabling a direct attack of C2H2. To access the W-Asp site, a substrate channel was evolved distant from where it is found in other members of the DMSOR family. Computational studies of this second shell mechanism led to unrealistically high energy barriers, and alternative pathways were proposed where C2H2 binds directly to W. The architecture of the catalytic cavity, the specificity for C2H2 and the results from site-directed mutagenesis do not support this first shell mechanism. More investigations including structural information on the binding of C2H2 are needed to present a conclusive answer.

  11. Detection of acetylene in the Saturnian atmosphere, using the IUE satellite

    NASA Technical Reports Server (NTRS)

    Moos, H. W.; Clarke, J. T.

    1979-01-01

    Direct evidence for the presence of acetylene in the upper part of the Saturnian atmosphere is reported. This evidence consists of two spectra of Saturn obtained by using the low-dispersion mode of the short-wavelength spectrograph on the IUE satellite. A series of distinct absorption bands in the reflected solar radiation at 1750 A is attributed to acetylene. The reciprocal of the acetylene cross section at 1750 A is shown to imply 7 x 10 to the 17th molecules/sq cm in the reflecting layer. It is concluded that the radiation at 1750 A originates from less than 2.3 km-amagat within the atmosphere.

  12. Complete genome sequence of the acetylene-fermenting Pelobacter sp. strain SFB93

    USGS Publications Warehouse

    Sutton, John M.; Baesman, Shaun; Fierst, Janna L.; Poret-Peterson, Amisha T.; Oremland, Ronald S.; Dunlap, Darren S.; Akob, Denise M.

    2017-01-01

    Acetylene fermentation is a rare metabolism that was previously reported as being unique to Pelobacter acetylenicus. Here, we report the genome sequence of Pelobacter sp. strain SFB93, an acetylene-fermenting bacterium isolated from sediments collected in San Francisco Bay, CA.

  13. Acetylene as fast food: implications for development of life on anoxic primordial Earth and in the outer solar system.

    PubMed

    Oremland, Ronald S; Voytek, Mary A

    2008-02-01

    Acetylene occurs, by photolysis of methane, in the atmospheres of jovian planets and Titan. In contrast, acetylene is only a trace component of Earth's current atmosphere. Nonetheless, a methane-rich atmosphere has been hypothesized for early Earth; this atmosphere would also have been rich in acetylene. This poses a paradox, because acetylene is a potent inhibitor of many key anaerobic microbial processes, including methanogenesis, anaerobic methane oxidation, nitrogen fixation, and hydrogen oxidation. Fermentation of acetylene was discovered approximately 25 years ago, and Pelobacter acetylenicus was shown to grow on acetylene by virtue of acetylene hydratase, which results in the formation of acetaldehyde. Acetaldehyde subsequently dismutates to ethanol and acetate (plus some hydrogen). However, acetylene hydratase is specific for acetylene and does not react with any analogous compounds. We hypothesize that microbes with acetylene hydratase played a key role in the evolution of Earth's early biosphere by exploiting an available source of carbon from the atmosphere and in so doing formed protective niches that allowed for other microbial processes to flourish. Furthermore, the presence of acetylene in the atmosphere of a planet or planetoid could possibly represent evidence for an extraterrestrial anaerobic ecosystem.

  14. Acetylene as fast food: Implications for development of life on anoxic primordial earth and in the outer solar system

    USGS Publications Warehouse

    Oremland, R.S.; Voytek, M.A.

    2008-01-01

    Acetylene occurs, by photolysis of methane, in the atmospheres of jovian planets and Titan. In contrast, acetylene is only a trace component of Earth's current atmosphere. Nonetheless, a methane-rich atmosphere has been hypothesized for early Earth; this atmosphere would also have been rich in acetylene. This poses a paradox, because acetylene is a potent inhibitor of many key anaerobic microbial processes, including methanogenesis, anaerobic methane oxidation, nitrogen fixation, and hydrogen oxidation. Fermentation of acetylene was discovered 25 years ago, and Pelobacter acetylenicus was shown to grow on acetylene by virtue of acetylene hydratase, which results in the formation of acetaldehyde. Acetaldehyde subsequently dismutates to ethanol and acetate (plus some hydrogen). However, acetylene hydratase is specific for acetylene and does not react with any analogous compounds. We hypothesize that microbes with acetylene hydratase played a key role in the evolution of Earth's early biosphere by exploiting an available source of carbon from the atmosphere and in so doing formed protective niches that allowed for other microbial processes to flourish. Furthermore, the presence of acetylene in the atmosphere of a planet or planetoid could possibly represent evidence for an extraterrestrial anaerobic ecosystem. ?? Mary Ann Liebert, Inc.

  15. Leukotriene B4 omega-hydroxylase in human polymorphonuclear leukocytes. Suicidal inactivation by acetylenic fatty acids.

    PubMed

    Shak, S; Reich, N O; Goldstein, I M; Ortiz de Montellano, P R

    1985-10-25

    Human polymorphonuclear leukocytes (PMN) not only generate and respond to leukotriene B4 (LTB4), but also catabolize this mediator of inflammation rapidly and specifically by omega-oxidation (probably due to the action of a cytochrome P-450 enzyme). To develop pharmacologically useful inhibitors of the LTB4 omega-hydroxylase in human PMN, we devised a general scheme for synthesizing terminal acetylenic fatty acids based on the "acetylenic zipper" reaction. We found that the LTB4 omega-hydroxylase in intact PMN and in PMN sonicates is inactivated in a concentration-dependent fashion by terminal acetylenic analogues of lauric, palmitic, and stearic acids (i.e. 11-dodecynoic, 15-hexadecynoic, and 17-octadecynoic acids). Consistent with a suicidal process, inactivation of the LTB4 omega-hydroxylase requires molecular oxygen and NADPH, is time-dependent, and follows pseudo-first-order kinetics. Inactivation of the omega-hydroxylase by acetylenic fatty acids also is dependent on the terminal acetylenic moiety and the carbon chain length. Saturated fatty acids lacking a terminal acetylenic moiety do not inactivate the omega-hydroxylase. In addition, the two long-chain (C16, C18) acetylenic fatty acids inactivate the omega-hydroxylase at much lower concentrations (less than 5.0 microM) than those required for inactivation by the short-chain (C12) terminal acetylenic fatty acid (100 microM). Potent suicidal inhibitors of the LTB4 omega-hydroxylase in human PMN will help elucidate the roles played by LTB4 and its omega-oxidation products in regulating PMN function and in mediating inflammation.

  16. Acetylene-based pathways for prebiotic evolution on Titan

    NASA Astrophysics Data System (ADS)

    Abbas, O.; Schulze-Makuch, D.

    2002-11-01

    Due to Titan's reducing atmosphere and lack of an ozone shield, ionizing radiation penetrates the atmosphere creating ions, radicals and electrons that are highly reactive producing versatile chemical species on Titan's surface. We propose that the catalytic hydrogenation of photochemically produced acetylene may be used as simple metabolic pathway by organisms at or near Titan's surface. While the acetylene may undergo this reaction, it can also undertake several other multi-step synthetic schemes that eventually lead to the production of amino acids or other biologically important molecules. Four model synthetic schemes will be described, and their relevance in relation to prebiotic evolution on Earth is discussed.

  17. The abundances of ethane and acetylene in the atmospheres of Jupiter and Saturn

    NASA Technical Reports Server (NTRS)

    Noll, K. S.; Knacke, R. F.; Tokunaga, A. T.; Lacy, J. H.; Beck, S.

    1986-01-01

    The present determination of the stratospheric abundances of ethane and acetylene on Jupiter and Saturn on the basis of IR spectra near 780/cm uses atmospheric models whose thermal and density profiles have constant mixing ratios. The ratio of ethane to acetylene is noted to be insensitive to model atmosphere assumptions; it is 55 + or - 31 for Jupiter and 23 + or - 12 where model mixing ratios are uniform. Atmospheric model density profiles adapted from theoretical photochemical models are noted to also yield a higher ethane/acetylene ratios for Jupiter.

  18. The abundances of ethane to acetylene in the atmospheres of Jupiter and Saturn

    NASA Technical Reports Server (NTRS)

    Noll, K. S.; Knacke, R. F.; Tokunaga, A. T.; Lacy, J. H.; Beck, S.; Serabyn, E.

    1986-01-01

    The present determination of the stratospheric abundances of ethane and acetylene on Jupiter and Saturn on the basis of IR spectra near 780/cm uses atmospheric models whose thermal and density profiles have constant mixing ratios. The ratio of ethane to acetylene is noted to be insensitive to model atmosphere assumptions; it is 55 + or - 31 for Jupiter and 23 + or - 12 where model mixing ratios are uniform. Atmospheric model density profiles adapted from theoretical photochemical models are noted to also yield a higher ethane/acetylene ratios for Jupiter.

  19. Designing supported palladium-on-gold bimetallic nano-catalysts for controlled hydrogenation of acetylene in large excess of ethylene

    NASA Astrophysics Data System (ADS)

    Malla, Pavani

    Ethylene is used as a starting point for many chemical intermediates in the petrochemical industry. It is predominantly produced through steam cracking of higher hydrocarbons (ethane, propane, butane, naphtha, and gas oil). During the cracking process, a small amount of acetylene is produced as a side product. However, acetylene must be removed since it acts as a poison for ethylene polymerization catalysts at even ppm concentrations (>5 ppm). Thus, the selective hydrogenation of acetylene to ethylene is an important process for the purification of ethylene. Conventional, low weight loading Pd catalysts are used for this selective reaction in high concentration ethylene streams. Gold was initially considered to be catalytically inactive for a long time. This changed when gold was seen in the context of the nanometric scale, which has indeed shown it to have excellent catalytic activity as a homogeneous or a heterogeneous catalyst. Gold is proved to have high selectivity to ethylene but poor at conversion. Bimetallic Au and Pd catalysts have exhibited superior activity as compared to Pd particles in semi-hydrogenation. Hydrogenation of acetylene was tested using this bimetallic combination. The Pd-on-Au bimetallic catalyst structure provides a new synthesis approach in improving the catalytic properties of monometallic Pd materials. TiO 2 as a support material and 0.05%Pd loading on 1%Au on titania support and used different treatment methods like washing plasma and reduction between the two metal loadings and was observed under 2:1 ratio. In my study there were two set of catalysts which were prepared by a modified incipient wetness impregnation technique. Out of all the reaction condition the catalyst which was reduced after impregnating gold and then impregnating palladium which was further treated in non-thermal hydrogen plasma and then pretreated in hydrogen till 250°C for 1 hour produced the best activity of 76% yield at 225°C. Stability tests were conducted

  20. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

    NASA Astrophysics Data System (ADS)

    Han, Huixian; Li, Anyang; Guo, Hua

    2014-12-01

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S0) electronic state has been constructed by fitting ˜37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm-1. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm-1 above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.

  1. Detonation engine fed by acetylene-oxygen mixture

    NASA Astrophysics Data System (ADS)

    Smirnov, N. N.; Betelin, V. B.; Nikitin, V. F.; Phylippov, Yu. G.; Koo, Jaye

    2014-11-01

    The advantages of a constant volume combustion cycle as compared to constant pressure combustion in terms of thermodynamic efficiency has focused the search for advanced propulsion on detonation engines. Detonation of acetylene mixed with oxygen in various proportions is studied using mathematical modeling. Simplified kinetics of acetylene burning includes 11 reactions with 9 components. Deflagration to detonation transition (DDT) is obtained in a cylindrical tube with a section of obstacles modeling a Shchelkin spiral; the DDT takes place in this section for a wide range of initial mixture compositions. A modified ka-omega turbulence model is used to simulate flame acceleration in the Shchelkin spiral section of the system. The results of numerical simulations were compared with experiments, which had been performed in the same size detonation chamber and turbulent spiral ring section, and with theoretical data on the Chapman-Jouguet detonation parameters.

  2. Selective hydrogenation of acetylene in the presence of ethylene on palladium nanocluster surfaces: A DFT study

    NASA Astrophysics Data System (ADS)

    Abdollahi, Tahereh; Farmanzadeh, Davood

    2018-03-01

    In this work, by density functional theory, the palladium nanoclusters were investigated in order to design new catalysts for the selective hydrogenation of acetylene present in olefin feeds. At first, the palladium nanoclusters were studied using PBE-G functional with DNP-ECP basis set. According to the performed calculations, among all the Pdn (n = 2-15) nanoclusters, two Pd12 and Pd2 nanoclusters can be used as catalysts in the reactions of hydrogenation of acetylene and ethylene. The adsorption energy of hydrogen on the Pd12 nanocluster is higher than that of acetylene and ethylene, and therefore, the Pd12 nanocluster is more appropriate for the hydrogenation of acetylene and ethylene. However, the calculated activation energy barriers for the reactions of hydrogenation of acetylene and ethylene showed that the Pd2 nanocluster has more selectivity in comparison to the Pd12 nanocluster. According to our results, the activation energy of the hydrogenation of acetylene to vinyl on the Pd2 nanocluster is 23.96 kJ/mol lower than that on the Pd12 nanocluster. Also, the activation energy of the hydrogenation of ethylene to ethyl on the Pd2 nanocluster is higher than that on the Pd12 nanocluster Therefore, it seems that the Pd2 surface can be used as a catalyst for the selective hydrogenation of acetylene.

  3. Characterization of the Minimum Energy Paths and Energetics for the reaction of Vinylidene with Acetylene

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Taylor, Peter R.

    1995-01-01

    The reaction of vinylidene (CH2C) with acetylene may be an initiating reaction in soot formation. We report minimum energy paths and accurate energetics for a pathway leading to vinylacetylene and for a number of isomers Of C4H4. The calculations use complete active space self-consistent field (CASSCF) derivative methods to characterize the stationary points and internally contacted configuration interaction (ICCI) and/or coupled cluster singles and doubles with a perturbational estimate of triple excitations (CCSD(T)) to determine the energetics. We find an entrance channel barrier of about 5 kcal/mol for the addition of vinylidene to acetylene, but no barriers above reactants for the reaction pathway leading to vinylacetylene.

  4. Improved Performance of an Optically Pumped Mid-Infrared Acetylene-Filled Hollow-Core Fiber Laser

    NASA Astrophysics Data System (ADS)

    Dadashzadeh, Neda

    The focus of this research is improving the pulse output energy of a mid-IR pulsed acetylene-filled Hollow-core Optical Fiber Gas LASer (HOFGLAS) system. Pump pulses and acetylene molecules interact with each other inside hollow-core photonic crystal fiber that effectively confines light and allows for strong gain. This results in lasing at 3.11 mum and 3.17 mum lines based on population inversion of acetylene molecules, which are optically pumped at rotational-vibrational overtones near 1.5 mum using 1 ns pulse duration from an optical parametric amplifier (OPA). This acetylene laser operates with no cavity mirrors because of a high gain in a single pass configuration. There are few laser sources in the mid-IR region while there are many applications for having a laser source in this range such as remote sensing, hazardous chemical detection, and breath analysis. This adds to the importance of the acetylene-filled HOFGLAS system. Some of the applications like remote sensing require high power. So, we moved toward power scaling this laser system by optimizing the laser operation through maximizing the OPA alignment to improve its modal content using longer length of fiber to increase the interaction length and improving the beam quality of the mid-IR emissions. The highest pulse energy ever obtained in the 3 microm mid-IR region from the acetylene-filled HOFGLAS after applying the improvements is reported here (1.4 muJ). Higher mid-IR pulse energies can be achieved by improving the pulse energy achievable from the OPA pump source and working with longer pulse duration to decrease the bandwidth of the OPA. This operation demonstrates many novel properties of acetylene-filled pulsed mid-IR hollow-core fiber lasers. The excellent spatial beam quality at highest power and phenomenological scaling of saturation power and efficiency with pressure that we observe point to the promise of power scaling and motivate further development of numerical models of the laser for

  5. [Photodissociation of Acetylene and Acetone using Step-Scan Time-Resolved FTIR Emission Spectroscopy

    NASA Technical Reports Server (NTRS)

    McLaren, Ian A.; Wrobel, Jacek D.

    1997-01-01

    The photodissociation of acetylene and acetone was investigated as a function of added quenching gas pressures using step-scan time-resolved FTIR emission spectroscopy. Its main components consist of Bruker IFS88, step-scan Fourier Transform Infrared (FTIR) spectrometer coupled to a flow cell equipped with Welsh collection optics. Vibrationally excited C2H radicals were produced from the photodissociation of acetylene in the unfocused experiments. The infrared (IR) emission from these excited C2H radicals was investigated as a function of added argon pressure. Argon quenching rate constants for all C2H emission bands are of the order of 10(exp -13)cc/molecule.sec. Quenching of these radicals by acetylene is efficient, with a rate constant in the range of 10(exp -11) cc/molecule.sec. The relative intensity of the different C2H emission bands did not change with the increasing argon or acetylene pressure. However, the overall IR emission intensity decreased, for example, by more than 50% when the argon partial pressure was raised from 0.2 to 2 Torr at fixed precursor pressure of 160mTorr. These observations provide evidence for the formation of a metastable C2H2 species, which are collisionally quenched by argon or acetylene. Problems encountered in the course of the experimental work are also described.

  6. Kinetics and Structure of Superagglomerates Produced by Silane and Acetylene

    NASA Technical Reports Server (NTRS)

    Mulholland, G. W.; Hamins, A.; Sivathanu, Y.

    1999-01-01

    The evolution of smoke in a laminar diffusion flame involves several steps. The first step is particle inception/nucleation in the high-temperature fuel-rich region of the flame followed by surface growth and coagulation/coalescence of the small particles. As the primary spheres grow in size and lose hydrogen, the colliding particles no longer coalesce but retain their identity as a cluster of primary spheres, termed an agglomerate. Finally, in the upper portion of the flame, the particles enter an oxidizing environment which may lead to partial or complete burnout of the agglomerates. Currently there is no quantitative model for describing the growth of smoke agglomerates up to superagglomerates with an overall dimension of 10 microns and greater. Such particles are produced during the burning of acetylene and fuels containing benzene rings such as toluene and polystyrene. In the case of polystyrene, smoke agglomerates in excess of 1 mm have been observed "raining" out from large fires. Evidence of the formation of superagglomerates in a laminar acetylene/air diffusion flame has been recently reported. Acetylene was chosen as the fuel since the particulate loading in acetylene/air diffusion flames is very high. Photographs were obtained by Sorensen using a microsecond xenon lamp of the "stream" of soot just above the flame. For low flow rates of acetylene, only submicrometer soot clusters are produced and they give rise to the homogeneous appearance of the soot stream. When the flow rate is increased to 1.7 cu cm/s, soot clusters up to 10 microns are formed and they are responsible for the graininess and at a flow rate of 3.4 cu cm/s, a web of interconnected clusters as large as the width of the flame is seen. This interconnecting web of superagglomerates is described as a gel state by Sorensen et al (1998). This is the first observation of a gel for a gas phase system. It was observed that this gel state immediately breaks up into agglomerates due to buoyancy

  7. Positron collisions with acetylene calculated using the R-matrix with pseudo-states method

    NASA Astrophysics Data System (ADS)

    Zhang, Rui; Galiatsatos, Pavlos G.; Tennyson, Jonathan

    2011-10-01

    Eigenphase sums, total cross sections and differential cross sections are calculated for low-energy collisions of positrons with C2H2. The calculations demonstrate that the use of appropriate pseudo-state expansions very significantly improves the representation of this process giving both realistic eigenphases and cross sections. Differential cross sections are strongly forward peaked in agreement with the measurements. These calculations are computationally very demanding; even with improved procedures for matrix diagonalization, fully converged calculations are too expensive with current computer resources. Nonetheless, the calculations show clear evidence for the formation of a virtual state but no indication that acetylene actually binds a positron at its equilibrium geometry.

  8. Structure of the non-redox-active tungsten/[4Fe:4S] enzyme acetylene hydratase.

    PubMed

    Seiffert, Grazyna B; Ullmann, G Matthias; Messerschmidt, Albrecht; Schink, Bernhard; Kroneck, Peter M H; Einsle, Oliver

    2007-02-27

    The tungsten-iron-sulfur enzyme acetylene hydratase stands out from its class because it catalyzes a nonredox reaction, the hydration of acetylene to acetaldehyde. Sequence comparisons group the protein into the dimethyl sulfoxide reductase family, and it contains a bis-molybdopterin guanine dinucleotide-ligated tungsten atom and a cubane-type [4Fe:4S] cluster. The crystal structure of acetylene hydratase at 1.26 A now shows that the tungsten center binds a water molecule that is activated by an adjacent aspartate residue, enabling it to attack acetylene bound in a distinct, hydrophobic pocket. This mechanism requires a strong shift of pK(a) of the aspartate, caused by a nearby low-potential [4Fe:4S] cluster. To access this previously unrecognized W-Asp active site, the protein evolved a new substrate channel distant from where it is found in other molybdenum and tungsten enzymes.

  9. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

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

    Han, Huixian; School of Physics, Northwest University, Xi’an, Shaanxi 710069; Li, Anyang

    2014-12-28

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S{sub 0}) electronic state has been constructed by fitting ∼37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm{sup −1}. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies upmore » to 12 700 cm{sup −1} above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.« less

  10. Electron-paramagnetic-resonance studies on nitrogenase of Klebsiella pneumoniae. Evidence for acetylene- and ethylene-nitrogenase transient complexes.

    PubMed Central

    Lowe, D J; Eady, R R; Thorneley, N F

    1978-01-01

    Klebsiella pneumoniae nitrogenase exhibited four new electron-paramagnetic-resonance signals during turnover at 10 degrees C, pH7.4, which were assigned to intermediates present in low concentrations in the steady state. 57Fe-substituted Mo--Fe protein showed that they arose from Fe--S clusters in the Mo--Fe protein of nitrogenase. The new signals are designated: Ic, g values at 4.67, 3.37 and approx. 2.0; VI, g values at 2.125, 2.000 and 2.000; VII, g values at 5.7 and 5.4; VIII, g values at 2.092, 1.974 and 1.933. The sharp axial signal VI arises from a Fe4S4 cluster at the --1 oxidation level. This signal was only detected in the presence of ethylene and provides the first evidence of an enzyme--product complex for nitrogenase. [13C]Acetylene and [13C]ethylene provided no evidence for direct binding of this substrate and product to the Fe--S clusters giving rise to these signals. The dependence of signal intensities on acetylene concentration indicated two types of binding site, with apparent dissociation constants K less than 16 micron and K approximately 13mM. A single binding site for ethylene (K=1.5mM) was detected. A scheme is proposed for the mechanism of reduction of acetylene to ethylene and inhibition of this reaction by CO. PMID:210766

  11. Acetylene from the co-pyrolysis of biomass and waste tires or coal in the H{sub 2}/Ar plasma

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

    Bao, W.; Cao, Q.; Lv, Y.

    Acetylene from carbon-containing materials via plasma pyrolysis is not only simple but also environmentally friendly. In this article, the acetylene produced from co-pyrolyzing biomass with waste tire or coal under the conditions of H{sub 2}/Ar DC arc plasma jet was investigated. The experimental results showed that the co-pyrolysis of mixture with biomass and waste tire or coal can improve largely the acetylene relative volume fraction (RVF) in gaseous products and the corresponding yield of acetylene. The change trends for the acetylene yield of plasma pyrolysis from mixture with raw sample properties were the same as relevant RVF. But the yieldmore » change trend with feeding rate is different from its RVF. The effects of the feeding rate of raw materials and the electric current of plasmatron on acetylene formation are also discussed.« less

  12. A review of acetylene, ethylene and ethane molecular spectroscopy for planetary applications

    NASA Technical Reports Server (NTRS)

    Maguire, W. C.

    1982-01-01

    Spectroscopic work in acetylene, ethylene and ethane, are of particular interest since the Voyager IRIS observations of Jupiter. Acetylene and ethane but not ethylene were observed in the Jovian spectrum. Two fundamental bands of the observed gases are used to determine the spatial distribution of these hydrocarbons on Jupiter and to illuminate the photochemistry of these species. The 100 to 1000 cm region is discussed and selected examples of current laboratory work are given.

  13. Mechanism-based inactivation of benzo(a)pyrene hydroxylase by aryl acetylenes and aryl olefins

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

    Gan, L.S.; Lu, J.Y.L.; Alworth, W.L.

    A series of aryl acetylenes and aryl olefins have been examined as substrates and inhibitors of cytochrome P-450 dependent monooxgenases in liver microsomes from 5,6-benzoflavone or phenobarbital pretreated rats. 1-Ethynylpyrene, 3-ethynylperylene, 2-ethynylfluorene, methyl 1-pyrenyl acetylene, cis- and trans-1-(2-bromovinyl)pyrene, and 1-allylpyrene serve as mechanism-based irreversible inactivators (suicide inhibitors) of benzo(a)pyrene hydroxylase, while 1-vinylpyrene and phenyl 1-pyrenyl acetylene do not cause a detectable suicide inhibition of benzo(a)pyrene hydroxylase. The mechanism-based loss of benzo(a)pyrene hydroxylase caused by the aryl acetylenes is not accompanied by a corresponding loss of the P-450 content of the microsomes (suicide destruction). The suicide inhibition by these aryl acetylenesmore » therefore does not involve covalent binding to the heme moiety of the monooxygenase. Nevertheless, in the presence of NADPH, /sup 3/H-labeled 1-ethynylpyrene becomes covalently attached to the cytochrome P-450 protein; the measured stoichiometry of binding is one 1-ethynylpyrene per P-450 heme unit. The authors conclude that the inhibition of benzo(a)pyrene hydroxylase produced by 1-ethynylpyrene may be related to the mechanism of suicide inhibition of P-450 activity by chloramphenicol rather than the mechanism of suicide destruction of P-450 previously described for acetylene and propyne.« less

  14. Hydration of Acetylene: A 125th Anniversary

    ERIC Educational Resources Information Center

    Ponomarev, Dmitry A.; Shevchenko, Sergey M.

    2007-01-01

    The year 2006 is the 125th anniversary of a chemical reaction, the discovery of which by Mikhail Kucherov had a profound effect on the development of industrial chemistry in the 19-20th centuries. This was the hydration of alkynes catalyzed by mercury ions that made possible industrial production of acetaldehyde from acetylene. Historical…

  15. Nanocomposite vacuum-Arc TiC/a-C:H coatings prepared using an additional ionization of acetylene

    NASA Astrophysics Data System (ADS)

    Trakhtenberg, I. Sh.; Gavrilov, N. V.; Emlin, D. R.; Plotnikov, S. A.; Vladimirov, A. B.; Volkova, E. G.; Rubshtein, A. P.

    2014-07-01

    The composition, structure, and properties of TiC/a-C:H coatings obtained by simultaneous vacuum-arc deposition of titanium and carbon in a low-pressure argon-acetylene medium additionally activated by a low-energy (a few hundreds of electron-volts) electron beam. The creation of conditions under which the decomposition of acetylene is provided by the ionization and dissociation of molecules due to electron impacts and by the recharging of molecules through titanium and argon ions with subsequent dissociation should favor the most complete decomposition of acetylene in a wide range of pressures. With increasing acetylene pressure, the structure of the nanocomposite coating changes: the size of TiC crystallites decreases, and the fraction of interfaces (or the fraction of regions with a disordered (amorphous) structure) increases. The application of a bias voltage leads to an increase in the sizes of TiC nanocrystallites. The coatings with a maximum microhardness (˜40 GPa) have been obtained without the action of an electron beam under an acetylene pressure of ˜0.05-0.08 Pa and the atomic ratio Ti: C ˜ 0.9: 1.1 in the coating.

  16. Acetylene Fermentation: Relevance to Primordial Biogeochemistry and the Search for Life in the Outer Solar System

    NASA Astrophysics Data System (ADS)

    Oremland, R. S.; Baesman, S. M.; Miller, L. G.

    2014-02-01

    Acetylene supports the growth of some terrestrial anaerobes. The reaction is highly exothermic. The abundance of acetylene in the methane-rich planet(oid)s of the outer solar system could represent a means of nourishment for resident alien microbes.

  17. Gas Chromatographic Separation of an Acetylene Vinyl Fluoride-Difluoroethane Mixture on Triethylene Glycol and Silicone Oil,

    DTIC Science & Technology

    The purpose of the research was to study gas-chromatographic separation of impurities of acetylene and difluoroethane in vinyl fluoride obtained by...and difluoroethane . All the components are separated, and the criteria of separation of acetylene-vinyl fluoride and vinyl fluoride- difluoroethane

  18. Purification and characterization of acetylene hydratase of Pelobacter acetylenicus, a tungsten iron-sulfur protein.

    PubMed

    Rosner, B M; Schink, B

    1995-10-01

    Acetylene hydratase of the mesophilic fermenting bacterium Pelobacter acetylenicus catalyzes the hydration of acetylene to acetaldehyde. Growth of P. acetylenicus with acetylene and specific acetylene hydratase activity depended on tungstate or, to a lower degree, molybdate supply in the medium. The specific enzyme activity in cell extract was highest after growth in the presence of tungstate. Enzyme activity was stable even after prolonged storage of the cell extract or of the purified protein under air. However, enzyme activity could be measured only in the presence of a strong reducing agent such as titanium(III) citrate or dithionite. The enzyme was purified 240-fold by ammonium sulfate precipitation, anion-exchange chromatography, size exclusion chromatography, and a second anion-exchange chromatography step, with a yield of 36%. The protein was a monomer with an apparent molecular mass of 73 kDa, as determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis. The isoelectric point was at pH 4.2. Per mol of enzyme, 4.8 mol of iron, 3.9 mol of acid-labile sulfur, and 0.4 mol of tungsten, but no molybdenum, were detected. The Km for acetylene as assayed in a coupled photometric test with yeast alcohol dehydrogenase and NADH was 14 microM, and the Vmax was 69 mumol.min-1.mg of protein-1. The optimum temperature for activity was 50 degrees C, and the apparent pH optimum was 6.0 to 6.5. The N-terminal amino acid sequence gave no indication of resemblance to any enzyme protein described so far.

  19. Purification and characterization of acetylene hydratase of Pelobacter acetylenicus, a tungsten iron-sulfur protein.

    PubMed Central

    Rosner, B M; Schink, B

    1995-01-01

    Acetylene hydratase of the mesophilic fermenting bacterium Pelobacter acetylenicus catalyzes the hydration of acetylene to acetaldehyde. Growth of P. acetylenicus with acetylene and specific acetylene hydratase activity depended on tungstate or, to a lower degree, molybdate supply in the medium. The specific enzyme activity in cell extract was highest after growth in the presence of tungstate. Enzyme activity was stable even after prolonged storage of the cell extract or of the purified protein under air. However, enzyme activity could be measured only in the presence of a strong reducing agent such as titanium(III) citrate or dithionite. The enzyme was purified 240-fold by ammonium sulfate precipitation, anion-exchange chromatography, size exclusion chromatography, and a second anion-exchange chromatography step, with a yield of 36%. The protein was a monomer with an apparent molecular mass of 73 kDa, as determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis. The isoelectric point was at pH 4.2. Per mol of enzyme, 4.8 mol of iron, 3.9 mol of acid-labile sulfur, and 0.4 mol of tungsten, but no molybdenum, were detected. The Km for acetylene as assayed in a coupled photometric test with yeast alcohol dehydrogenase and NADH was 14 microM, and the Vmax was 69 mumol.min-1.mg of protein-1. The optimum temperature for activity was 50 degrees C, and the apparent pH optimum was 6.0 to 6.5. The N-terminal amino acid sequence gave no indication of resemblance to any enzyme protein described so far. PMID:7592321

  20. 46 CFR 154.1735 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... mixture must have a refrigeration system without vapor compression or have a refrigeration system with the... separate cargo piping, vent piping, and refrigeration equipment for methyl acetylene-propadiene that are segregated from other cargo piping, vent piping and refrigeration equipment on the vessel. [CGD 74-289, 44 FR...

  1. 46 CFR 154.1735 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... mixture must have a refrigeration system without vapor compression or have a refrigeration system with the... separate cargo piping, vent piping, and refrigeration equipment for methyl acetylene-propadiene that are segregated from other cargo piping, vent piping and refrigeration equipment on the vessel. [CGD 74-289, 44 FR...

  2. 46 CFR 154.1735 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... mixture must have a refrigeration system without vapor compression or have a refrigeration system with the... separate cargo piping, vent piping, and refrigeration equipment for methyl acetylene-propadiene that are segregated from other cargo piping, vent piping and refrigeration equipment on the vessel. [CGD 74-289, 44 FR...

  3. 46 CFR 154.1735 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... mixture must have a refrigeration system without vapor compression or have a refrigeration system with the... separate cargo piping, vent piping, and refrigeration equipment for methyl acetylene-propadiene that are segregated from other cargo piping, vent piping and refrigeration equipment on the vessel. [CGD 74-289, 44 FR...

  4. 46 CFR 154.1735 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... mixture must have a refrigeration system without vapor compression or have a refrigeration system with the... separate cargo piping, vent piping, and refrigeration equipment for methyl acetylene-propadiene that are segregated from other cargo piping, vent piping and refrigeration equipment on the vessel. [CGD 74-289, 44 FR...

  5. Cryosolution infrared study of hydrogen bonded halothane acetylene complex

    NASA Astrophysics Data System (ADS)

    Melikova, S. M.; Rutkowski, K. S.; Rospenk, M.

    2018-05-01

    The interactions between halothane (2-bromo-2-chloro-1,1,1-trifluoroethane) and acetylene (C2H2) are studied by FTIR spectroscopy. Results obtained in liquid cryosolutions in Kr suggest weak complex formation stabilized by H - bond. The complexation enthalpy (∼11 kJ/mol) is evaluated in a series of temperature measurements (T ∼ 120-160 K) of integrated intensity of selected bands performed in liquefied Kr. The quantum chemical MP2/6-311++G(2d,2p) calculations predict four different structures of the complex. The most stable and populated (94% at T∼120 K) structure corresponds to the H - bond between H atom of halothane and pi-electron of triple bond between C atoms of acetylene. Wave numbers of vibrational bands of the most stable structure are calculated in anharmonic approximation implemented in Gaussian program.

  6. Rapid analysis of dissolved methane, ethylene, acetylene and ethane using partition coefficients and headspace-gas chromatography.

    PubMed

    Lomond, Jasmine S; Tong, Anthony Z

    2011-01-01

    Analysis of dissolved methane, ethylene, acetylene, and ethane in water is crucial in evaluating anaerobic activity and investigating the sources of hydrocarbon contamination in aquatic environments. A rapid chromatographic method based on phase equilibrium between water and its headspace is developed for these analytes. The new method requires minimal sample preparation and no special apparatus except those associated with gas chromatography. Instead of Henry's Law used in similar previous studies, partition coefficients are used for the first time to calculate concentrations of dissolved hydrocarbon gases, which considerably simplifies the calculation involved. Partition coefficients are determined to be 128, 27.9, 1.28, and 96.3 at 30°C for methane, ethylene, acetylene, and ethane, respectively. It was discovered that the volume ratio of gas-to-liquid phase is critical to the accuracy of the measurements. The method performance can be readily improved by reducing the volume ratio of the two phases. Method validation shows less than 6% variation in accuracy and precision except at low levels of methane where interferences occur in ambient air. Method detection limits are determined to be in the low ng/L range for all analytes. The performance of the method is further tested using environmental samples collected from various sites in Nova Scotia.

  7. Measuring ethane and acetylene in Antarctic ice cores to quantify long-term hydrocarbon emissions from tropical fires

    NASA Astrophysics Data System (ADS)

    Nicewonger, M. R.; Aydin, M.; Prather, M. J.; Saltzman, E. S.

    2017-12-01

    This study examines ethane (C2H6) and acetylene (C2H2) in polar ice cores in order to reconstruct variations in the atmospheric levels of these trace gases over the past 2,000 years. Both of these non-methane hydrocarbons are released from fossil fuel, biofuel, and biomass burning. Ethane, but not acetylene, is also emitted from natural geologic outgassing of hydrocarbons. In an earlier study, we reported ethane levels in Greenland and Antarctic ice cores showing roughly equal contributions from biomass burning and geologic emissions to preindustrial atmospheric ethane levels (Nicewonger et al., 2016). Here we introduce acetylene as an additional constraint to better quantify preindustrial variations in the emissions from these natural hydrocarbon sources. Here we present 30 new measurements of ethane and acetylene from the WDC-06A ice core from WAIS Divide and the newly drilled South Pole ice core (SPICECORE). Ethane results display a gradual decline from peak levels of 110 ppt at 1400 CE to a minimum of 60-80 ppt during 1700-1875 CE. Acetylene correlates with ethane (r2 > 0.4), dropping from peak levels of 35 ppt at 1400 CE to 15-20 ppt at 1875 CE. The covariance between the two trace gases implies that the observed changes are likely caused by decreasing emissions from low latitude biomass burning. We will discuss results from chemical transport modeling and sensitivity tests and the implications for the preindustrial ethane and acetylene budgets.

  8. Acetylene-Based Materials in Organic Photovoltaics

    PubMed Central

    Silvestri, Fabio; Marrocchi, Assunta

    2010-01-01

    Fossil fuel alternatives, such as solar energy, are moving to the forefront in a variety of research fields. Organic photovoltaic systems hold the promise of a lightweight, flexible, cost-effective solar energy conversion platform, which could benefit from simple solution-processing of the active layer. The discovery of semiconductive polyacetylene by Heeger et al. in the late 1970s was a milestone towards the use of organic materials in electronics; the development of efficient protocols for the palladium catalyzed alkynylation reactions and the new conception of steric and conformational advantages of acetylenes have been recently focused the attention on conjugated triple-bond containing systems as a promising class of semiconductors for OPVs applications. We review here the most important and representative (poly)arylacetylenes that have been used in the field. A general introduction to (poly)arylacetylenes, and the most common synthetic approaches directed toward making these materials will be firstly given. After a brief discussion on working principles and critical parameters of OPVs, we will focus on molecular arylacetylenes, (co)polymers containing triple bonds, and metallopolyyne polymers as p-type semiconductor materials. The last section will deal with hybrids in which oligomeric/polymeric structures incorporating acetylenic linkages such as phenylene ethynylenes have been attached onto C60, and their use as the active materials in photovoltaic devices. PMID:20480031

  9. Matrix Isolation and ab initio study of the noncovalent complexes between formamide and acetylene.

    PubMed

    Mardyukov, Artur; Sánchez-García, Elsa; Sander, Wolfram

    2009-02-12

    Matrix isolation spectroscopy in combination with ab initio calculations is a powerful technique for the identification of weakly bound intermolecular complexes. Here, weak complexes between formamide and acetylene are studied, and three 1:1 complexes with binding energies of -2.96, -2.46, and -1.79 kcal/mol have been found at the MP2 level of theory (MP2/cc-pVTZ + ZPE + BSSE). The two most stable dimers A and B are identified in argon and nitrogen matrices by comparison between the experimental and calculated infrared frequencies. Both complexes are stabilized by the formamide C=O...HC acetylene and H...pi interactions. Large shifts have been observed experimentally for the C-H stretching vibrations of the acetylene molecule, in very good agreement with the calculated values. Eight 1:2 FMA-acetylene trimers (T-A to T-H) with binding energies between -5.44 and -2.62 kcal/mol (MP2/aug-cc-pVDZ + ZPE + BSSE) were calculated. The two most stable trimers T-A and T-B are very close in energy and have similar infrared spectra. Several weak bands that are in agreement with the calculated frequencies of the trimers T-A and T-B are observed under matrix isolation conditions. However, the differences are too small for a definitive assignment.

  10. Rotation of a Single Acetylene Molecule on Cu(001) by Tunneling Electrons in STM

    NASA Astrophysics Data System (ADS)

    Shchadilova, Yulia E.; Tikhodeev, Sergei G.; Paulsson, Magnus; Ueba, Hiromu

    2013-11-01

    We study the elementary processes behind one of the pioneering works on scanning tunneling microscope controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Keldysh-Green function approach for the vibrational generation rate in combination with density functional theory calculations to obtain realistic parameters we reproduce the experimental rotation rate of an acetylene molecule on a Cu(100) surface as a function of bias voltage and tunneling current. This combined approach allows us to identify the reaction coordinate mode of the acetylene rotation and its anharmonic coupling with the C-H stretch mode. We show that three different elementary processes, the excitation of C-H stretch, the overtone ladder climbing of the hindered rotational mode, and the combination band excitation together explain the rotation of the acetylene molecule on Cu(100).

  11. New Acetylene-Terminated Quinoxaline Oligomers

    DTIC Science & Technology

    1982-03-01

    3󈧭 Br, 20.97 Found: C, 62.88; *H, 3.50; Br, 20.83. ( 2 ) (4-Phenylethynyl- 3 ’- bromo )diphenyl ether (6.98 g, 0.02 mol) was dissolved in 150 ml of...I 2 . Govt Accession No. 3 . Recipient’s Catalog Number AFWAL-TR-82-4006 4. Title (and Subtitle) 5. Type of Report & Period Coverec NEW ACETYLENE...displacement of the nitro group of p-nitrobenzil by treatment with the sodium 3 -ethynylphenolate. 1O-CO-Ar-CO-CO-1 + 2 NH2 ) -- H2 > SNHQ2f \\NH2 NH2

  12. Synthesis and electrochemical properties of olivine LiFePO 4 prepared by a carbothermal reduction method

    NASA Astrophysics Data System (ADS)

    Liu, Hui-ping; Wang, Zhi-xing; Li, Xin-hai; Guo, Hua-jun; Peng, Wen-jie; Zhang, Yun-he; Hu, Qi-yang

    LiFePO 4/C composite cathode material was prepared by carbothermal reduction method, which uses NH 4H 2PO 4, Li 2CO 3 and cheap Fe 2O 3 as starting materials, acetylene black and glucose as carbon sources. The precursor of LiFePO 4/C was characterized by differential thermal analysis and thermogravimetry. X-ray diffraction (XRD), scanning electron microscopy (SEM) micrographs showed that the LiFePO 4/C is olivine-type phase, and the addition of the carbon reduced the LiFePO 4 grain size. The carbon is dispersed between the grains, ensuring a good electronic contact. The products sintered at 700 °C for 8 h with glucose as carbon source possessed excellent electrochemical performance. The synthesized LiFePO 4 composites showed a high electrochemical capacity of 159.3 mAh g -1 at 0.1 C rate, and the capacity fading is only 2.2% after 30 cycles.

  13. High-temperature measurements of methane and acetylene using quantum cascade laser absorption near 8 μm

    NASA Astrophysics Data System (ADS)

    Sajid, M. B.; Javed, T.; Farooq, A.

    2015-04-01

    The mid-infrared wavelength region near 8 μm contains absorption bands of several molecules such as water vapor, hydrogen peroxide, nitrous oxide, methane and acetylene. A new laser absorption sensor based on the ν4 band of methane and the ν4+ν5 band of acetylene is reported for interference-free, time-resolved measurements under combustion-relevant conditions. A detailed line-selection procedure was used to identify optimum transitions. Methane and acetylene were measured at the line centers of Q12 (1303.5 cm-1) and P23 (1275.5 cm-1) transitions, respectively. High-temperature absorption cross sections of methane and acetylene were measured at peaks (on-line) and valleys (off-line) of the selected absorption transitions. The differential absorption strategy was employed to eliminate interference absorption from large hydrocarbons. Experiments were performed behind reflected shock waves over a temperature range of 1200-2200 K, between pressures of 1-4 atm. The diagnostics were then applied to measure the respective species time-history profiles during the shock-heated pyrolysis of n-pentane.

  14. Formation of artificial pores in nano-TiO2 photo-electrode films using acetylene-black for high-efficiency, dye-sensitized solar cells

    PubMed Central

    Cho, Tae-Yeon; Han, Chi-Whan; Jun, Yongseok; Yoon, Soon-Gil

    2013-01-01

    Acetylene-black paste without a light scattering layer was applied to meso-porous TiO2 photo-electrode films with a crystalline framework, a low residual carbon, and a tunable morphological pore size. The thermal-treated TiO2 photo-electrode films had an increased acetylene-black concentration with an increase in artificial pores and a decrease in residual carbon. The performance of dye-sensitized solar cells (DSSCs) was enhanced by the use of the TiO2 photo-anode pastes at various acetylene-black concentrations. The photo-conversion efficiency of the DSSCs using TiO2 photo-electrode films with 1.5 wt% acetylene-black was enhanced from 7.98 (no acetylene-black) to 9.75% without the integration of a light- scattering layer. PMID:23511122

  15. 46 CFR 151.50-79 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... acetylene-propadiene mixture must have a refrigeration system that does not compress the cargo vapor or have a refrigeration system with the following features: (1) A vapor compressor that does not raise the... suction line. (c) The piping system, including the cargo refrigeration system, for tanks to be loaded with...

  16. 46 CFR 151.50-79 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... acetylene-propadiene mixture must have a refrigeration system that does not compress the cargo vapor or have a refrigeration system with the following features: (1) A vapor compressor that does not raise the... suction line. (c) The piping system, including the cargo refrigeration system, for tanks to be loaded with...

  17. 46 CFR 151.50-79 - Methyl acetylene-propadiene mixture.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... acetylene-propadiene mixture must have a refrigeration system that does not compress the cargo vapor or have a refrigeration system with the following features: (1) A vapor compressor that does not raise the... suction line. (c) The piping system, including the cargo refrigeration system, for tanks to be loaded with...

  18. Characterization of the Minimum Energy Paths for the Ring Closure Reactions of C4H3 with Acetylene

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.

    1995-01-01

    The ring closure reaction of C4H3 with acetylene to give phenyl radical is one proposed mechanism for the formation of the first aromatic ring in hydrocarbon combustion. There are two low-lying isomers of C4H3; 1-dehydro-buta-l-ene-3-yne (n-C4H3) and 2-dehydro-buta-l-ene-3-yne (iso-C4H3). It has been proposed that only n-C4H3 reacts with acetylene to give phenyl radical, and since iso-C4H3 is more stable than n-C4H3, formation of phenyl radical by this mechanism is unlikely. We report restricted Hartree-Fock (RHF) plus singles and doubles configuration interaction calculations with a Davidson's correction (RHF+1+2+Q) using the Dunning correlation consistent polarized valence double zeta basis set (cc-pVDZ) for stationary point structures along the reaction pathway for the reactions of n-C4H3 and iso-C4H3 with acetylene. n-C4H3 plus acetylene (9.4) has a small entrance channel barrier (17.7) (all energetics in parentheses are in kcal/mol with respect to iso-C4H3 plus acetylene) and the subsequent closure steps leading to phenyl radical (-91.9) are downhill with respect to the entrance channel barrier. Iso-C4H3 Plus acetylene also has an entrance channel barrier (14.9) and there is a downhill pathway to 1-dehydro-fulvene (-55.0). 1-dehydro-fulvene can rearrange to 6-dehydro-fulvene (-60.3) by a 1,3-hydrogen shift over a barrier (4.0), which is still below the entrance channel barrier, from which rearrangement to phenyl radical can occur by a downhill pathway. Thus, both n-C4H3 and iso-C4H3 can react with acetylene to give phenyl radical with small barriers.

  19. Sub-cycle steering of the deprotonation of acetylene by intense few-cycle mid-infrared laser fields.

    PubMed

    Li, H; Kling, Nora G; Gaumnitz, T; Burger, C; Siemering, R; Schötz, J; Liu, Q; Ban, L; Pertot, Y; Wu, J; Azzeer, A M; de Vivie-Riedle, R; Wörner, H J; Kling, M F

    2017-06-26

    Directional breaking of the C-H/C-D molecular bond is manipulated in acetylene (C 2 H 2 ) and deuterated acetylene (C 2 D 2 ) by waveform controlled few-cycle mid-infrared laser pulses with a central wavelength around 1.6 μm at an intensity of about 8 × 10 13 W/cm 2 . The directionality of the deprotonation of acetylene is controlled by changing the carrier-envelope phase (CEP). The CEP-control can be attributed to the laser-induced superposition of vibrational modes, which is sensitive to the sub-cycle evolution of the laser waveform. Our experiments and simulations indicate that near-resonant, intense mid-infrared pulses permit a higher degree of control of the directionality of the reaction compared to those obtained in near-infrared fields, in particular for the deuterated species.

  20. Ab initio dynamics and photoionization mass spectrometry reveal ion-molecule pathways from ionized acetylene clusters to benzene cation

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

    Stein, Tamar; Bandyopadhyay, Biswajit; Troy, Tyler P.

    The growth mechanism of hydrocarbons in ionizing environments, such as the interstellar medium (ISM), and some combustion conditions remains incompletely understood. Ab initio molecular dynamics (AIMD) simulations and molecular beam vacuum-UV (VUV) photoionization mass spectrometry experiments were performed to understand the ion-molecule growth mechanism of small acetylene clusters (up to hexamers). A dramatic dependence of product distribution on the ionization conditions is demonstrated experimentally and understood from simulations. The products change from reactive fragmentation products in a higher temperature, higher density gas regime toward a very cold collision-free cluster regime that is dominated by products whose empirical formula is (Cmore » 2H 2) n +, just like ionized acetylene clusters. The fragmentation products result from reactive ion- molecule collisions in a comparatively higher pressure and temperature regime followed by unimolecular decomposition. The isolated ionized clusters display rich dynamics that contain bonded C 4H 4 + and C 6H 6 + structures solvated with one or more neutral acetylene molecules. Such species contain large amounts ( > 2 eV) of excess internal energy. The role of the solvent acetylene molecules is to affect the barrier crossing dynamics in the potential energy surface (PES) between (C 2H 2) n + isomers and provide evaporative cooling to dissipate the excess internal energy and stabilize products including the aromatic ring of the benzene cation. Formation of the benzene cation is demonstrated in AIMD simulations of acetylene clusters with n > 3, as well as other metastable C 6H 6 + isomers. Lastly, these results suggest a path for aromatic ring formation in cold acetylene-rich environments such as parts of the ISM.« less

  1. Ab initio dynamics and photoionization mass spectrometry reveal ion–molecule pathways from ionized acetylene clusters to benzene cation

    PubMed Central

    Stein, Tamar; Bandyopadhyay, Biswajit; Troy, Tyler P.; Fang, Yigang; Kostko, Oleg

    2017-01-01

    The growth mechanism of hydrocarbons in ionizing environments, such as the interstellar medium (ISM), and some combustion conditions remains incompletely understood. Ab initio molecular dynamics (AIMD) simulations and molecular beam vacuum-UV (VUV) photoionization mass spectrometry experiments were performed to understand the ion–molecule growth mechanism of small acetylene clusters (up to hexamers). A dramatic dependence of product distribution on the ionization conditions is demonstrated experimentally and understood from simulations. The products change from reactive fragmentation products in a higher temperature, higher density gas regime toward a very cold collision-free cluster regime that is dominated by products whose empirical formula is (C2H2)n+, just like ionized acetylene clusters. The fragmentation products result from reactive ion–molecule collisions in a comparatively higher pressure and temperature regime followed by unimolecular decomposition. The isolated ionized clusters display rich dynamics that contain bonded C4H4+ and C6H6+ structures solvated with one or more neutral acetylene molecules. Such species contain large amounts (>2 eV) of excess internal energy. The role of the solvent acetylene molecules is to affect the barrier crossing dynamics in the potential energy surface (PES) between (C2H2)n+ isomers and provide evaporative cooling to dissipate the excess internal energy and stabilize products including the aromatic ring of the benzene cation. Formation of the benzene cation is demonstrated in AIMD simulations of acetylene clusters with n > 3, as well as other metastable C6H6+ isomers. These results suggest a path for aromatic ring formation in cold acetylene-rich environments such as parts of the ISM. PMID:28484019

  2. Ab initio dynamics and photoionization mass spectrometry reveal ion-molecule pathways from ionized acetylene clusters to benzene cation.

    PubMed

    Stein, Tamar; Bandyopadhyay, Biswajit; Troy, Tyler P; Fang, Yigang; Kostko, Oleg; Ahmed, Musahid; Head-Gordon, Martin

    2017-05-23

    The growth mechanism of hydrocarbons in ionizing environments, such as the interstellar medium (ISM), and some combustion conditions remains incompletely understood. Ab initio molecular dynamics (AIMD) simulations and molecular beam vacuum-UV (VUV) photoionization mass spectrometry experiments were performed to understand the ion-molecule growth mechanism of small acetylene clusters (up to hexamers). A dramatic dependence of product distribution on the ionization conditions is demonstrated experimentally and understood from simulations. The products change from reactive fragmentation products in a higher temperature, higher density gas regime toward a very cold collision-free cluster regime that is dominated by products whose empirical formula is (C 2 H 2 ) n + , just like ionized acetylene clusters. The fragmentation products result from reactive ion-molecule collisions in a comparatively higher pressure and temperature regime followed by unimolecular decomposition. The isolated ionized clusters display rich dynamics that contain bonded C 4 H 4 + and C 6 H 6 + structures solvated with one or more neutral acetylene molecules. Such species contain large amounts (>2 eV) of excess internal energy. The role of the solvent acetylene molecules is to affect the barrier crossing dynamics in the potential energy surface (PES) between (C 2 H 2 ) n + isomers and provide evaporative cooling to dissipate the excess internal energy and stabilize products including the aromatic ring of the benzene cation. Formation of the benzene cation is demonstrated in AIMD simulations of acetylene clusters with n > 3, as well as other metastable C 6 H 6 + isomers. These results suggest a path for aromatic ring formation in cold acetylene-rich environments such as parts of the ISM.

  3. Ab initio dynamics and photoionization mass spectrometry reveal ion-molecule pathways from ionized acetylene clusters to benzene cation

    DOE PAGES

    Stein, Tamar; Bandyopadhyay, Biswajit; Troy, Tyler P.; ...

    2017-05-08

    The growth mechanism of hydrocarbons in ionizing environments, such as the interstellar medium (ISM), and some combustion conditions remains incompletely understood. Ab initio molecular dynamics (AIMD) simulations and molecular beam vacuum-UV (VUV) photoionization mass spectrometry experiments were performed to understand the ion-molecule growth mechanism of small acetylene clusters (up to hexamers). A dramatic dependence of product distribution on the ionization conditions is demonstrated experimentally and understood from simulations. The products change from reactive fragmentation products in a higher temperature, higher density gas regime toward a very cold collision-free cluster regime that is dominated by products whose empirical formula is (Cmore » 2H 2) n +, just like ionized acetylene clusters. The fragmentation products result from reactive ion- molecule collisions in a comparatively higher pressure and temperature regime followed by unimolecular decomposition. The isolated ionized clusters display rich dynamics that contain bonded C 4H 4 + and C 6H 6 + structures solvated with one or more neutral acetylene molecules. Such species contain large amounts ( > 2 eV) of excess internal energy. The role of the solvent acetylene molecules is to affect the barrier crossing dynamics in the potential energy surface (PES) between (C 2H 2) n + isomers and provide evaporative cooling to dissipate the excess internal energy and stabilize products including the aromatic ring of the benzene cation. Formation of the benzene cation is demonstrated in AIMD simulations of acetylene clusters with n > 3, as well as other metastable C 6H 6 + isomers. Lastly, these results suggest a path for aromatic ring formation in cold acetylene-rich environments such as parts of the ISM.« less

  4. OZONE PRODUCTION FROM IRRADIATION OF ACETYLENE/CHLORINE MIXTURES IN AIR

    EPA Science Inventory

    The reaction of chlorine radicals with acetylene in air in the absence of oxides of nitrogen result In the formation of ozone. o ozone is observed when chlorine radicals react with methylacetylene or ethylacetylene under similar conditions. ormyl chloride is observed in all syste...

  5. 77 FR 13969 - Revising Standards Referenced in the Acetylene Standard

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-08

    .... OSHA-2011-0183] RIN 1218-AC64 Revising Standards Referenced in the Acetylene Standard AGENCY: Occupational Safety and Health Administration (OSHA), Department of Labor. ACTION: Final rule; confirmation of effective date. SUMMARY: OSHA is confirming the effective date of its direct final rule that revises the...

  6. Nitrous oxide reduction in nodules: denitrification or N/sub 2/ fixation

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

    Coyne, M.S.; Focht, D.D.

    1987-05-01

    Detached cowpea nodules that contained a nitrous oxide reductase-positive (Nor/sup +/) rhizobium strain (8A55) and a nitrous oxide reductase-negative (Nor/sup -/) rhizobium strain (32H1) were incubated with 1% /sup 15/N/sub 2/O (95 atom% /sup 15/N) in the following three atmospheres: aerobic with C/sub 2/H/sub 2/ (10%), aerobic without C/sub 2/H/sub 2/, and anaerobic (argon atmosphere) without C/sub 2/H/sub 2/. The greatest production of /sup 15/N/sub 2/ occurred anaerobically with 8A55, yet very little was formed with 32H1. Although acetylene reduction activity was slightly higher with 32H1, about 10 times more /sup 15/N/sub 2/ was produced aerobically by 8A55 than bymore » 32H1 in the absence of acetylene. The major reductive pathway of N/sub 2/O reduction by denitrifying rhizobium strain 8A55 is by nitrous oxide reductase rather than nitrogenase.« less

  7. Acetylene Gas-Sensing Properties of Layer-by-Layer Self-Assembled Ag-Decorated Tin Dioxide/Graphene Nanocomposite Film

    PubMed Central

    Jiang, Chuanxing; Yin, Nailiang; Yao, Yao; Shaymurat, Talgar; Zhou, Xiaoyan

    2017-01-01

    This paper demonstrates an acetylene gas sensor based on an Ag-decorated tin dioxide/reduced graphene oxide (Ag–SnO2/rGO) nanocomposite film, prepared by layer-by-layer (LbL) self-assembly technology. The as-prepared Ag–SnO2/rGO nanocomposite was characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and Raman spectrum. The acetylene sensing properties were investigated using different working temperatures and gas concentrations. An optimal temperature of 90 °C was determined, and the Ag–SnO2/rGO nanocomposite sensor exhibited excellent sensing behaviors towards acetylene, in terms of response, repeatability, stability and response/recovery characteristics, which were superior to the pure SnO2 and SnO2/rGO film sensors. The sensing mechanism of the Ag–SnO2/rGO sensor was attributed to the synergistic effect of the ternary nanomaterials, and the heterojunctions created at the interfaces between SnO2 and rGO. This work indicates that the Ag–SnO2/rGO nanocomposite is a good candidate for constructing a low-temperature acetylene sensor. PMID:28927021

  8. Growth of ammonia-oxidizing archaea in soil microcosms is inhibited by acetylene.

    PubMed

    Offre, Pierre; Prosser, James I; Nicol, Graeme W

    2009-10-01

    Autotrophic ammonia-oxidizing bacteria were considered to be responsible for the majority of ammonia oxidation in soil until the recent discovery of the autotrophic ammonia-oxidizing archaea. To assess the relative contributions of bacterial and archaeal ammonia oxidizers to soil ammonia oxidation, their growth was analysed during active nitrification in soil microcosms incubated for 30 days at 30 degrees C, and the effect of an inhibitor of ammonia oxidation (acetylene) on their growth and soil nitrification kinetics was determined. Denaturing gradient gel electrophoresis (DGGE) analysis of bacterial ammonia oxidizer 16S rRNA genes did not detect any change in their community composition during incubation, and quantitative PCR (qPCR) analysis of bacterial amoA genes indicated a small decrease in abundance in control and acetylene-containing microcosms. DGGE fingerprints of archaeal amoA and 16S rRNA genes demonstrated changes in the relative abundance of specific crenarchaeal phylotypes during active nitrification. Growth was also indicated by increases in crenarchaeal amoA gene copy number, determined by qPCR. In microcosms containing acetylene, nitrification and growth of the crenarchaeal phylotypes were suppressed, suggesting that these crenarchaea are ammonia oxidizers. Growth of only archaeal but not bacterial ammonia oxidizers occurred in microcosms with active nitrification, indicating that ammonia oxidation was mostly due to archaea in the conditions of the present study.

  9. Isotope effect in normal-to-local transition of acetylene bending modes

    DOE PAGES

    Ma, Jianyi; Xu, Dingguo; Guo, Hua; ...

    2012-01-01

    The normal-to-local transition for the bending modes of acetylene is considered a prelude to its isomerization to vinylidene. Here, such a transition in fully deuterated acetylene is investigated using a full-dimensional quantum model. It is found that the local benders emerge at much lower energies and bending quantum numbers than in the hydrogen isotopomer HCCH. This is accompanied by a transition to a second kind of bending mode called counter-rotator, again at lower energies and quantum numbers than in HCCH. These transitions are also investigated using bifurcation analysis of two empirical spectroscopic fitting Hamiltonians for pure bending modes, which helpsmore » to understand the origin of the transitions semiclassically as branchings or bifurcations out of the trans and normal bend modes when the latter become dynamically unstable. The results of the quantum model and the empirical bifurcation analysis are in very good agreement.« less

  10. Synthesis of novel E-2-chlorovinyltellurium compounds based on the stereospecific anti-addition of tellurium tetrachloride to acetylene.

    PubMed

    Musalova, Maria V; Potapov, Vladimir A; Amosova, Svetlana V

    2012-05-15

    The reaction of tellurium tetrachloride with acetylene proceeds in a stereospecific anti-addition manner to afford the novel products E-2-chlorovinyltellurium trichloride and E,E-bis(2-chlorovinyl)tellurium dichloride. Reaction conditions for the selective preparation of each of these products were found. The latter was obtained in 90% yield in CHCl(3) under a pressure of acetylene of 10-15 atm, whereas the former product was formed in up to 72% yield in CCl(4) under a pressure of acetylene of 1-3 atm. Synthesis of the previously unknown E,E-bis(2-chlorovinyl) telluride, E,E-bis(2-chlorovinyl) ditelluride, E-2-chlorovinyl 1,2,2-trichloroethyl telluride and E,E-bis(2-chlorovinyl)-tellurium dibromide is described.

  11. Fatal carbon monoxide intoxication after acetylene gas welding of pipes.

    PubMed

    Antonsson, Ann-Beth; Christensson, Bengt; Berge, Johan; Sjögren, Bengt

    2013-06-01

    Acetylene gas welding of district heating pipes can result in exposure to high concentrations of carbon monoxide. A fatal case due to intoxication is described. Measurements of carbon monoxide revealed high levels when gas welding a pipe with closed ends. This fatality and these measurements highlight a new hazard, which must be promptly prevented.

  12. A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces

    NASA Astrophysics Data System (ADS)

    Ma, Ling-Ling; Lv, Cun-Qin; Wang, Gui-Chang

    2017-07-01

    Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H2 molecule as well as the high selective hydrogenation of acetylene as compared with pure Cu and Pd metal alone at low-temperature, here we performed systematic first-principles calculations to investigate the corresponding reaction mechanism related to the acetylene hydrogenation processes on single atom alloys (SAAs) and monolayer Pd/Cu(111) (i.e.,1.00 ML Pd/Cu(111)) model catalysts in detail, and to explore the possible factors controlling the high selectivity on SAAs. Our results clearly demonstrate that the SAA catalyst has higher selectivity for the ethylene formation than that of 1.00 ML Pd/Cu(111), and lower activity for the acetylene conversion compared with that of 1.00 ML Pd/Cu(111). The relatively high selectivity on SAA is mainly due to the facile desorption of ethylene and moderate activity in the dissociation of molecular H2. The main factor which lowers the selectivity towards the ethylene formation on 1.00 ML Pd/Cu(111) is that this system has a higher capacity to promote the breaking of Csbnd H/Csbnd C bonds, which leads to the formation of carbonaceous deposits and polymers such as benzene, and thus reduces the selectivity for the ethylene formation. Meanwhile, it was found that the desorption energy of ethylene on these two surfaces was smaller than the energy barrier of further hydrogenation, which results in the absence of ethane on these two systems. Micro-kinetic model analysis provides a further valuable insight into the evidence for the key factors controlling the catalytic activity and selectivity towards the selective hydrogenation of acetylene. Our findings may help people to design a highly selective hydrogenation catalyst by controlling the balance between the H2 dissociation and

  13. Can Analysis of Acetylene and Its Biodegradation Products in Enceladus Plumes be Used to Detect the Presence of Sub-Surface Life?

    NASA Astrophysics Data System (ADS)

    Miller, L. G.; Baesman, S. M.; Oremland, R. S.

    2014-12-01

    The search for biosignatures of life on Earth includes measurement of the stable isotope fractionation of reactants and products attributed to enzymatic processes and comparison with the often smaller chemical (abiotic) fractionation. We propose that this approach might be applied to study the origin and fate of organic compounds contained in water vapor plumes emanating from Enceladus or other icy bodies, perhaps revealing information about the potential for biology occurring within a sub-surface "habitable" zone. Methanol and C2-hydrocarbons including ethylene, ethane and acetylene (C2H2) have been identified in the plumes of Enceladus. Biological degradation of acetylene proceeds by anaerobic fermentation via acetylene hydratase through acetaldehyde, with a second enzyme (acetaldehyde dismutase) forming acetate and ethanol. We found that incubation of cultures of acetylene-fermenting bacteria exhibit a kinetic isotope effect (KIE) associated with the net removal of C2H2. Consumption of acetylene by both growing and washed-cell cultures of bacteria closely related to Pelobacter acetylenicus (e.g, strain SFB93) was accompanied by a carbon isotopic fractionation of about 2 per mil (KIE = 1.8-2.7 ‰), a result we are examining with other cultures of acetylene fermenters. In addition, we are measuring the carbon isotopic composition of acetaldehyde, ethanol and acetate during fermentation to learn whether these products are fractionated sufficiently, relative to their substrate, to warrant measurement of their isotopic composition in Enceladus (or Europa) plumes to indicate enzymatic activity in liquid environments below the crust of these moons.

  14. A novel metal-organic framework for high storage and separation of acetylene at room temperature

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

    Duan, Xing, E-mail: star1987@hdu.edu.cn; Wang, Huizhen; Ji, Zhenguo

    2016-09-15

    A novel 3D microporous metal-organic framework with NbO topology, [Cu{sub 2}(L)(H{sub 2}O){sub 2}]∙(DMF){sub 6}·(H{sub 2}O){sub 2} (ZJU-10, ZJU = Zhejiang University; H{sub 4}L =2′-hydroxy-[1,1′:4′,1″-terphenyl]-3,3″,5,5″-tetracarboxylic acid; DMF =N,N-dimethylformamide), has been synthesized and structurally characterized. With suitable pore sizes and open Cu{sup 2+} sites, ZJU-10a exhibits high BET surface area of 2392 m{sup 2}/g, as well as moderately high C{sub 2}H{sub 2} volumetric uptake capacity of 132 cm{sup 3}/cm{sup 3}. Meanwhile, ZJU-10a is a promising porous material for separation of acetylene from methane and carbon dioxide gas mixtures at room temperature. - Graphical abstract: A new NbO-type microporous metal-organic framework ZJU-10 withmore » suitable pore size and open Cu{sup 2+} sites was synthesized to realize the strong interaction with acetylene molecules, which can separate the acetylene from methane and carbon dioxane gas mixtures at room temperature. Display Omitted - Highlights: • A novel 3D NbO-type microporous metal-organic framework ZJU-10 was solvothermally synthesized and structurally characterized. • ZJU-10a exhibits high BET surface area of 2392 m{sup 2}/g. • ZJU-10a shows a moderately high C{sub 2}H{sub 2} gravimetric (volumetric) uptake capacity of 174 (132) cm{sup 3}/g at 298 K and 1 bar. • ZJU-10a can separate acetylene from methane and carbon dioxide gas mixtures at room temperature.« less

  15. A density functional theory study on the acetylene cyclotrimerization on Pd-modified Au(111) surface

    NASA Astrophysics Data System (ADS)

    Ren, Bohua; Dong, Xiuqin; Yu, Yingzhe; Zhang, Minhua

    2017-10-01

    Calculations based on the first-principle density functional theory were carried out to study the possible acetylene cyclotrimerization reactions on Pd-Au(111) surface and to investigate the effect of Au atom alloying with Pd. The adsorption of C2H2, C4H4, C6H6 and the PDOS of 4d orbitals of surface Pd and Au atoms were studied. The comparison of d-band center of Pd and Au atom before and after C2H2 or C4H4 adsorption suggests that these molecules affect the activity of Pd-Au(111) surface to some degree due to the high binding energy of the adsorption. In our study, the second neighboring Pd ensembles on Pd-Au(111) surface can adsorb two acetylene molecules on parallel-bridge site of two Au atoms and one Pd atom, respectively. Csbnd C bonds are parallel to each other and two acetylenes are adsorbed face to face to produce four-membered ring C4H4 firstly. The geometric effect and electronic effect of Pd-Au(111) surface with the second neighboring Pd ensembles both help to reduce this activation barrier.

  16. In situ spectroscopic characterization of Ni 1-xZn x/ZnO catalysts and their selectivity for acetylene semihydrogenation in excess ethylene

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

    Spanjers, Charles S.; Sim, Richard S.; Sturgis, Nicholas P.

    2015-10-30

    The structures of ZnO-supported Ni catalysts were explored with in situ X-ray absorption spectroscopy, temperature-programmed reduction, X-ray diffraction, high-resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy, and electron energy loss spectroscopy. Calcination of nickel nitrate on a nanoparticulate ZnO support at 450 °C results in the formation of Zn-doped NiO (ca. N₀̣̣₈₅ Zn₀̣̣₁₅O) nanoparticles with the rock salt crystal structure. Subsequent in situ reduction monitored by X-ray absorption near-edge structure (XANES) at the Ni K edge reveals a direct transformation of the Zn-doped NiO nanoparticles to a face-centered cubic alloy, Ni 1-xZn x, at ~400 °C with x increasingmore » with increasing temperature. Both in situ XANES and ex situ HRTEM provide evidence for intermetallic β₁-NiZn formation at ~550 °C. In comparison to a Ni/SiO₂ catalyst, Ni/ZnO necessitates a higher temperature for the reduction of Ni II to Ni⁰, which highlights the strong interaction between Ni and the ZnO support. The catalytic activity for acetylene removal from an ethylene feed stream is decreased by a factor of 20 on Ni/ZnO in comparison to Ni/SiO₂. The decrease in catalytic activity of Ni/ZnO is accompanied by a reduced absolute selectivity to ethylene. H–D exchange measurements demonstrate a reduced ability of Ni/ZnO to dissociate hydrogen in comparison to Ni/SiO₂.These results of the catalytic experiments suggest that the catalytic properties are controlled, in part, by the zinc oxide support and stress the importance of reporting absolute ethylene selectivity for the catalytic semihydrogenation of acetylene in excess ethylene.« less

  17. 49 CFR 173.303 - Charging of cylinders with compressed gas in solution (acetylene).

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... with acetylene must be successfully tested in accordance with CGA C-12. (b) Filling limits. For DOT... conform to ISO 3807-2 (IBR, see § 171.7 of this subchapter), have a homogeneous monolithic porous mass...

  18. Cavity Ringdown Laser Asorption Spectroscopy(crlas) of Isotopically Labeled Acetylene Between 12,500 - 13,600 wn

    NASA Astrophysics Data System (ADS)

    Lue, Christopher J.; Sullivan, Michael N.; Draganjac, Mark E.; Reeve, Scott W.

    2011-06-01

    About five years ago, Arkansas State University created the Arkansas Center for Laser Applications and Science (ArCLAS) with the intention of making it a state-of-the-art facility for laser-based research and optical spectroscopy in the midSouth. Since that time, University and DoD support has lead to the acquisition of numerous laser based spectrometers including a novel three color picosecond system utilized primarily for STIRAP measurements of bulk gas samples. Over the past few months, we have begun collecting near infrared overtone and combination band spectra for the acetylene molecule with a pulsed cavity ringdown laser absorption spectrometer (CRDLAS) as part of the STIRAP support effort. Certainly acetylene has been extensively studied by a number of different spectroscopic methods. During these CRDLAS investigations a 13C_2H_2 band was discovered which we believe has not been previously reported. Here a complete rovibrational analysis of this band will be presented. See for example, Michel Herman, Jacques lievin, Jean Vander Auwera, and Alain Campargue, in Global and Accurate Vibration Hamiltonians from High Resolution Molecular Spectroscopy, Advances in Chemical Physics Volume 108, John Wiley and Sons, NY, NY (1999) and references therein.

  19. Model reduction methods for control design

    NASA Technical Reports Server (NTRS)

    Dunipace, K. R.

    1988-01-01

    Several different model reduction methods are developed and detailed implementation information is provided for those methods. Command files to implement the model reduction methods in a proprietary control law analysis and design package are presented. A comparison and discussion of the various reduction techniques is included.

  20. Structure, Stabilities, Thermodynamic Properties, and IR Spectra of Acetylene Clusters (C2H2)n=2-5.

    PubMed

    Karthikeyan, S; Lee, Han Myoung; Kim, Kwang S

    2010-10-12

    There are no clear conclusions over the structures of the acetylene clusters. In this regard, we have carried out high-level calculations for acetylene clusters (C2H2)2-5 using dispersion-corrected density functional theory (DFT-D), Møller-Plesset second-order perturbation theory (MP2); and coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)] at the complete basis set limit. The lowest energy structure of the acetylene dimer has a T-shaped structure of C2v symmetry, but it is nearly isoenergetic to the displaced stacked structure of C2h symmetry. We find that the structure shows the quantum statistical distribution for configurations between the T-shaped and displaced stacked structures for which the average angle (|θ̃|) between two acetylene molecules would be 53-78°, close to the T-shaped structure. The trimer has a triangular structure of C3h symmetry. The tetramer has two lowest energy isomers of S4 and C2h symmetry in zero-point energy (ZPE)-uncorrected energy (ΔEe), but one lowest energy isomer of C2v symmetry in ZPE-corrected energy (ΔE0). For the pentamer, the global minimum structure is C1 symmetry with eight sets of T-type π-H interactions and a set of π-π interactions. Our high-level ab initio calculations are consistent with available experimental data.

  1. Exploring the Active Site of the Tungsten, Iron-Sulfur Enzyme Acetylene Hydratase▿ †

    PubMed Central

    tenBrink, Felix; Schink, Bernhard; Kroneck, Peter M. H.

    2011-01-01

    The soluble tungsten, iron-sulfur enzyme acetylene hydratase (AH) from mesophilic Pelobacter acetylenicus is a member of the dimethyl sulfoxide (DMSO) reductase family. It stands out from its class as it catalyzes a nonredox reaction, the addition of H2O to acetylene (H—C☰C—H) to form acetaldehyde (CH3CHO). Caught in its active W(IV) state, the high-resolution three-dimensional structure of AH offers an excellent starting point to tackle its unique chemistry and to identify catalytic amino acid residues within the active site cavity: Asp13 close to W(IV) coordinated to two molybdopterin-guanosine-dinucleotide ligands, Lys48 which couples the [4Fe-4S] cluster to the W site, and Ile142 as part of a hydrophobic ring at the end of the substrate access channel designed to accommodate the substrate acetylene. A protocol was developed to express AH in Escherichia coli and to produce active-site variants which were characterized with regard to activity and occupancy of the tungsten and iron-sulfur centers. By this means, fusion of the N-terminal chaperone binding site of the E. coli nitrate reductase NarG to the AH gene improved the yield and activity of AH and its variants significantly. Results from site-directed mutagenesis of three key residues, Asp13, Lys48, and Ile142, document their important role in catalysis of this unusual tungsten enzyme. PMID:21193613

  2. Acetylene chain reaction on hydrogenated boron nitride monolayers: a density functional theory study.

    PubMed

    Ponce-Pérez, R; Cocoletzi, Gregorio H; Takeuchi, Noboru

    2017-11-28

    Spin-polarized first-principles total-energy calculations have been performed to investigate the possible chain reaction of acetylene molecules mediated by hydrogen abstraction on hydrogenated hexagonal boron nitride monolayers. Calculations have been done within the periodic density functional theory (DFT), employing the PBE exchange correlation potential, with van der Waals corrections (vdW-DF). Reactions at two different sites have been considered: hydrogen vacancies on top of boron and on top of nitrogen atoms. As previously calculated, at the intermediate state of the reaction, when the acetylene molecule is attached to the surface, the adsorption energy is of the order of -0.82 eV and -0.20 eV (measured with respect to the energy of the non interacting molecule-substrate system) for adsorption on top of boron and nitrogen atoms, respectively. After the hydrogen abstraction takes place, the system gains additional energy, resulting in adsorption energies of -1.52 eV and -1.30 eV, respectively. These results suggest that the chain reaction is energetically favorable. The calculated minimum energy path (MEP) for hydrogen abstraction shows very small energy barriers of the order of 5 meV and 22 meV for the reaction on top of boron and nitrogen atoms, respectively. Finally, the density of states (DOS) evolution study helps to understand the chain reaction mechanism. Graphical abstract Acetylene chain reaction on hydrogenated boron nitride monolayers.

  3. Intramolecular competition between n-pair and π-pair hydrogen bonding: Microwave spectrum and internal dynamics of the pyridine–acetylene hydrogen-bonded complex

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

    Mackenzie, Rebecca B.; Dewberry, Christopher T.; Leopold, Kenneth R., E-mail: A.C.Legon@bristol.ac.uk, E-mail: david.tew@bristol.ac.uk, E-mail: kleopold@umn.edu

    2015-09-14

    a-type rotational spectra of the hydrogen-bonded complex formed from pyridine and acetylene are reported. Rotational and {sup 14}N hyperfine constants indicate that the complex is planar with an acetylenic hydrogen directed toward the nitrogen. However, unlike the complexes of pyridine with HCl and HBr, the acetylene moiety in HCCH—NC{sub 5}H{sub 5} does not lie along the symmetry axis of the nitrogen lone pair, but rather, forms an average angle of 46° with the C{sub 2} axis of the pyridine. The a-type spectra of HCCH—NC{sub 5}H{sub 5} and DCCD—NC{sub 5}H{sub 5} are doubled, suggesting the existence of a low lying pairmore » of tunneling states. This doubling persists in the spectra of HCCD—NC{sub 5}H{sub 5}, DCCH—NC{sub 5}H{sub 5}, indicating that the underlying motion does not involve interchange of the two hydrogens of the acetylene. Single {sup 13}C substitution in either the ortho- or meta-position of the pyridine eliminates the doubling and gives rise to separate sets of spectra that are well predicted by a bent geometry with the {sup 13}C on either the same side (“inner”) or the opposite side (“outer”) as the acetylene. High level ab initio calculations are presented which indicate a binding energy of 1.2 kcal/mol and a potential energy barrier of 44 cm{sup −1} in the C{sub 2v} configuration. Taken together, these results reveal a complex with a bent hydrogen bond and large amplitude rocking of the acetylene moiety. It is likely that the bent equilibrium structure arises from a competition between a weak hydrogen bond to the nitrogen (an n-pair hydrogen bond) and a secondary interaction between the ortho-hydrogens of the pyridine and the π electron density of the acetylene.« less

  4. Is the tungsten(IV) complex (NEt4)2[WO(mnt)2] a functional analogue of acetylene hydratase?

    PubMed Central

    Schreyer, Matthias

    2017-01-01

    The tungsten(IV) complex (Et4N)2[W(O)(mnt)2] (1; mnt = maleonitriledithiolate) was proposed (Sarkar et al., J. Am. Chem. Soc. 1997, 119, 4315) to be a functional analogue of the active center of the enzyme acetylene hydratase from Pelobacter acetylenicus, which hydrates acetylene (ethyne; 2) to acetaldehyde (ethanal; 3). In the absence of a satisfactory mechanistic proposal for the hydration reaction, we considered the possibility of a metal–vinylidene type activation mode, as it is well established for ruthenium-based alkyne hydration catalysts with anti-Markovnikov regioselectivity. To validate the hypothesis, the regioselectivity of tungsten-catalyzed alkyne hydration of a terminal, higher alkyne had to be determined. However, complex 1 was not a competent catalyst for the hydration of 1-octyne under the conditions tested. Furthermore, we could not observe the earlier reported hydration activity of complex 1 towards acetylene. A critical assessment of, and a possible explanation for the earlier reported results are offered. The title question is answered with "no". PMID:29181113

  5. Pressure-induced amorphization and reactivity of solid dimethyl acetylene probed by in situ FTIR and Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Guan, Jiwen; Daljeet, Roshan; Kieran, Arielle; Song, Yang

    2018-06-01

    Conjugated polymers are prominent semiconductors that have unique electric conductivity and photoluminescence. Synthesis of conjugated polymers under high pressure is extremely appealing because it does not require a catalyst or solvent used in conventional chemical methods. Transformation of acetylene and many of its derivatives to conjugated polymers using high pressure has been successfully achieved, but not with dimethyl acetylene (DMA). In this work, we present a high-pressure study on solid DMA using a diamond anvil cell up to 24.4 GPa at room temperature characterized by in situ Fourier transform infrared and Raman spectroscopy. Our results show that solid DMA exists in a phase II crystal structure and is stable up to 12 GPa. Above this pressure, amorphization was initiated and the process was completed at 24.4 GPa. The expected polymeric transformation was not evident upon compression, but only observed upon decompression from a threshold compression pressure (e.g. 14.4 GPa). In situ florescence measurements suggest excimer formation via crystal defects, which induces the chemical reactions. The vibrational spectral analysis suggests the products contain the amorphous poly(DMA) and possibly additional amorphous hydrogenated carbon material.

  6. Pressure-induced amorphization and reactivity of solid dimethyl acetylene probed by in situ FTIR and Raman spectroscopy.

    PubMed

    Guan, Jiwen; Daljeet, Roshan; Kieran, Arielle; Song, Yang

    2018-06-06

    Conjugated polymers are prominent semiconductors that have unique electric conductivity and photoluminescence. Synthesis of conjugated polymers under high pressure is extremely appealing because it does not require a catalyst or solvent used in conventional chemical methods. Transformation of acetylene and many of its derivatives to conjugated polymers using high pressure has been successfully achieved, but not with dimethyl acetylene (DMA). In this work, we present a high-pressure study on solid DMA using a diamond anvil cell up to 24.4 GPa at room temperature characterized by in situ Fourier transform infrared and Raman spectroscopy. Our results show that solid DMA exists in a phase II crystal structure and is stable up to 12 GPa. Above this pressure, amorphization was initiated and the process was completed at 24.4 GPa. The expected polymeric transformation was not evident upon compression, but only observed upon decompression from a threshold compression pressure (e.g. 14.4 GPa). In situ florescence measurements suggest excimer formation via crystal defects, which induces the chemical reactions. The vibrational spectral analysis suggests the products contain the amorphous poly(DMA) and possibly additional amorphous hydrogenated carbon material.

  7. Computational Screening of MOFs for Acetylene Separation

    NASA Astrophysics Data System (ADS)

    Nemati Vesali Azar, Ayda; Keskin, Seda

    2018-02-01

    Efficient separation of acetylene (C2H2) from CO2 and CH4 is important to meet the requirement of high-purity acetylene in various industrial applications. Metal organic frameworks (MOFs) are great candidates for adsorption-based C2H2/CO2 and C2H2/CH4 separations due to their unique properties such as wide range of pore sizes and tunable chemistries. Experimental studies on the limited number of MOFs revealed that MOFs offer remarkable C2H2/CO2 and C2H2/CH4 selectivities based on single-component adsorption data. We performed the first large-scale molecular simulation study to investigate separation performances of 174 different MOF structures for C2H2/CO2 and C2H2/CH4 mixtures. Using the results of molecular simulations, several adsorbent performance evaluation metrics, such as selectivity, working capacity, adsorbent performance score, sorbent selection parameter and regenerability were computed for each MOF. Based on these metrics, the best adsorbent candidates were identified for both separations. Results showed that the top three most promising MOF adsorbents exhibit C2H2/CO2 selectivities of 49, 47, 24 and C2H2/CH4 selectivities of 824, 684, 638 at 1 bar, 298 K and these are the highest C2H2 selectivities reported to date in the literature. Structure-performance analysis revealed that the best MOF adsorbents have pore sizes between 4-11 Å, surface areas in the range of 600-1,200 m2/g and porosities between 0.4-0.6 for selective separation of C2H2 from CO2 and CH4. These results will guide the future studies for the design of new MOFs with high C2H2 separation potentials.

  8. Computational Screening of MOFs for Acetylene Separation

    PubMed Central

    Nemati Vesali Azar, Ayda; Keskin, Seda

    2018-01-01

    Efficient separation of acetylene (C2H2) from CO2 and CH4 is important to meet the requirement of high-purity acetylene in various industrial applications. Metal organic frameworks (MOFs) are great candidates for adsorption-based C2H2/CO2 and C2H2/CH4 separations due to their unique properties such as wide range of pore sizes and tunable chemistries. Experimental studies on the limited number of MOFs revealed that MOFs offer remarkable C2H2/CO2 and C2H2/CH4 selectivities based on single-component adsorption data. We performed the first large-scale molecular simulation study to investigate separation performances of 174 different MOF structures for C2H2/CO2 and C2H2/CH4 mixtures. Using the results of molecular simulations, several adsorbent performance evaluation metrics, such as selectivity, working capacity, adsorbent performance score, sorbent selection parameter, and regenerability were computed for each MOF. Based on these metrics, the best adsorbent candidates were identified for both separations. Results showed that the top three most promising MOF adsorbents exhibit C2H2/CO2 selectivities of 49, 47, 24 and C2H2/CH4 selectivities of 824, 684, 638 at 1 bar, 298 K and these are the highest C2H2 selectivities reported to date in the literature. Structure-performance analysis revealed that the best MOF adsorbents have pore sizes between 4 and 11 Å, surface areas in the range of 600–1,200 m2/g and porosities between 0.4 and 0.6 for selective separation of C2H2 from CO2 and CH4. These results will guide the future studies for the design of new MOFs with high C2H2 separation potentials. PMID:29536004

  9. The photolysis of NH3 in the presence of substituted acetylenes - A possible source of oligomers and HCN on Jupiter

    NASA Technical Reports Server (NTRS)

    Ferris, James P.; Jacobson, Richard R.; Guillemin, Jean C.

    1992-01-01

    An NMR spectral study is presently conducted of NH3 photolysis in the presence of substituted acetylenes with NMR spectra and gas chromatography. Quantum yields and percentage conversions to products are reported. It is shown that acetylenic hydrocarbons generated during methane photolysis in Jupiter's stratosphere can react with radicals formed by NH3 photolysis to yield nonvolatile, yellow-brown polymers, alkylnitriles, and in due course, HCN, as observed on Jupiter.

  10. Acetylene-sourced CVD-synthesised catalytically active graphene for electrochemical biosensing.

    PubMed

    Osikoya, Adeniyi Olugbenga; Parlak, Onur; Murugan, N Arul; Dikio, Ezekiel Dixon; Moloto, Harry; Uzun, Lokman; Turner, Anthony Pf; Tiwari, Ashutosh

    2017-03-15

    In this study, we have demonstrated the use of chemical vapour deposition (CVD) grown-graphene to develop a highly-ordered graphene-enzyme electrode for electrochemical biosensing. The graphene sheets were deposited on 1.00mm thick copper sheet at 850°C using acetylene (C 2 H 2 ) as carbon source in an argon (Ar) and nitrogen (N 2 ) atmosphere. An anionic surfactant was used to increase wettability and hydrophilicity of graphene; thereby facilitating the assembly of biomolecules on the electrode surface. Meanwhile, the theoretical calculations confirmed the successful modification of hydrophobic nature of graphene through the anionic surface assembly, which allowed high-ordered immobilisation of glucose oxidase (GOx) on the graphene. The electrochemical sensing activities of the graphene-electrode was explored as a model for bioelectrocatalysis. The bioelectrode exhibited a linear response to glucose concentration ranging from 0.2 to 9.8mM, with sensitivity of 0.087µA/µM/cm 2 and a detection limit of 0.12µM (S/N=3). This work sets the stage for the use of acetylene-sourced CVD-grown graphene as a fundamental building block in the fabrication of electrochemical biosensors and other bioelectronic devices. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Acetylene adsorption on δ-MoC(001), TiC(001) and ZrC(001) surfaces: A comprehensive periodic DFT study

    DOE PAGES

    Jimenez-Orozco, Carlos; Florez, Elizabeth; Moreno, Andres; ...

    2016-12-06

    A comprehensive study of acetylene adsorption on δ-MoC(001), TiC(001) and ZrC(001) surfaces was carried out by means of calculations based on periodic density functional theory, using the Perdew–Burke–Ernzerhof exchange–correlation functional. It was found that the bonding of acetylene was significantly affected by the electronic and structural properties of the carbide surfaces. The adsorbate interacted with metal and/or carbon sites of the carbide. The interaction of acetylene with the TiC(001) and ZrC(001) surfaces was strong (binding energies higher than $-$3.5 eV), while moderate acetylene adsorption energies were observed on δ-MoC(001) ($-$1.78 eV to –0.66 eV). Adsorption energies, charge density difference plotsmore » and Mulliken charges suggested that the binding of the hydrocarbon to the surface had both ionic and covalent contributions. According to the C–C bond lengths obtained, the adsorbed molecule was modified from acetylene-like into ethylene-like on the δ-MoC(001) surface (desired behavior for hydrogenation reactions) but into ethane-like on TiC(001) and ZrC(001). The obtained results suggest that the δ-MoC(001) surface is expected to have the best performance in selective hydrogenation reactions to convert alkynes into alkenes. Another advantage of δ-MoC(001) is that, after C 2H 2 adsorption, surface carbon sites remain available, which are necessary for H 2 dissociation. Furthermore, these sites were occupied when C 2H 2 was adsorbed on TiC(001) and ZrC(001), limiting their application in the hydrogenation of alkynes.« less

  12. The ozone acetylene reaction: concerted or non-concerted reaction mechanism? A quantum chemical investigation

    NASA Astrophysics Data System (ADS)

    Cremer, Dieter; Kraka, Elfi; Crehuet, Ramon; Anglada, Josep; Gräfenstein, Jürgen

    2001-10-01

    The ozone-acetylene reaction is found to proceed via an intermediate van der Waals complex (rather than a biradical), which is the precursor for a concerted symmetry-allowed [4+2] cycloaddition reaction leading to 1,2,3-trioxolene. CCSD(T)/6-311G+(2d, 2p) and CCSD(T)/CBS (complete basis set) calculations predict the ozone-acetylene van der Waals complex to be stable by 2.2 kcal mol -1, the calculated activation enthalpy for the cycloaddition reaction is 9.6 kcal mol -1 and the reaction enthalpy -55.5 kcal mol -1. Calculated kinetic data for the overall reaction ( k=0.8 l mol -1 s-1, A=1.71×10 6 l mol -1 s-1, E a=8.6 kcal mol -1) suggest that there is a need for refined kinetic measurements.

  13. [Effects of organic and inorganic fertilizers on emission and sources of N2O in vegetable soils.

    PubMed

    Lin, Wei; Ding, Jun Jun; Li, Yu Zhong; Xu, Chun Ying; Li, Qiao Zhen; Zheng, Qian; Zhuang, Shan

    2018-05-01

    To clarify the microbial pathway of the N 2 O production and consumption under different fertilizers and provide theoretical basis for the reduction of N 2 O emission and rational management of fertilization in vegetable soils, we examined dynamics of N 2 O flux and isotope signatures under different fertilizer treatments in the vegetable soils of Beijing, by setting up four treatments (organic-acetylene, organic-nonacetylene, inorganic-acetylene, inorganic-nonacetylene) and using the stable isotope technique of natural N 2 O abundance. The results showed that the cumulative N 2 O emission from organic-acetylene group, organic-nonacetylene group, inorganic-acetylene group and inorganic-nonacetylene group was (374±37), (283±34), (458±36), (355±41) g·m -2 in cabbage growing season, respectively. N 2 O fluxes were significantly lower in treatments with organic fertilizer than those with inorganic fertilizer and significantly higher in acetylene group than nonacetylene group. The degree of N 2 O reduction were similar in both fertilizer treatments, and higher nitrification was found in inorganic fertilizer than organic fertilizer treatments. Acetylene only inhibited partial nitrification and partial N 2 O reduction at the peak of N 2 O emission. When the emission was reduced, N 2 O reduction could be completely suppressed. Therefore, the inorganic fertilizer might trigger nitrification and promote higher N 2 O emission. The high concentration of N 2 O could withstand that acetylene to inhibite N 2 O reduction. Hence, using organic fertilizers instead of some inorganic ones could effectively reduce N 2 O emission in vegetable soils of Beijing. The N 2 O concentration threshold should be considered when we identify N 2 O source by acetylene inhibition method.

  14. Soot Formation in Laminar Acetylene/Air Diffusion Flames at Atmospheric Pressure. Appendix C

    NASA Technical Reports Server (NTRS)

    Xu, F.; Faeth, G. M.; Urban, D. L. (Technical Monitor); Yuan, Z.-G. (Technical Monitor)

    2000-01-01

    The flame structure and soot-formation (soot nucleation and growth) properties of axisymmetric laminar coflowing jet diffusion flames were studied experimentally. Test conditions involved acetylene-nitrogen jets burning in coflowing air at atmospheric pressure. Measurements were limited to the axes of the flames and included soot concentrations, soot temperatures, soot structure, major gas species concentrations, radical species (H, OH, and O) concentrations, and gas velocities. The results show that as distance increases along the axes of the flames, detectable soot formation begins when significant H concentrations are present, and ends when acetylene concentrations become small. Species potentially associated with soot oxidation-O2, CO2, H2O, O, and OH-are present throughout the soot-formation region so that soot formation and oxidation proceed at the same time. Strong rates of soot growth compared to soot nucleation early in the soot-formation process, combined with increased rates of soot nucleation and oxidation as soot formation proceeds, causes primary soot particle diameters to reach a maximum relatively early in the soot-formation process. Aggregation of primary soot particles proceeds, however, until the final stages of soot oxidation. Present measurements of soot growth (corrected for soot oxidation) in laminar diffusion flames were consistent with earlier measurements of soot growth in laminar premixed flames and exhibited encouraging agreement with existing hydrogen-abstraction/carbon-addition (HACA) soot growth mechanisms in the literature that were developed based on measurements within laminar premixed flames. Measured primary soot particle nucleation rates in the present laminar diffusion flames also were consistent with corresponding rates measured in laminar premixed flames and yielded a crude correlation in terms of acetylene and H concentrations and the temperature.

  15. Soot Formation in Laminar Acetylene/Air Diffusion Flames at Atmospheric Pressure. Appendix H

    NASA Technical Reports Server (NTRS)

    Xu, F.; Faeth, G. M.; Yuan, Z.-G. (Technical Monitor); Urban, D. L. (Technical Monitor); Yuan, Z.-G. (Technical Monitor)

    2001-01-01

    The flame structure and soot-formation (soot nucleation and growth) properties of axisymmetric laminar coflowing jet diffusion flames were studied experimentally. Test conditions involved acetylene-nitrogen jets burning in coflowing air at atmospheric pressure. Measurements were limited to the axes of the flames and included soot concentrations, soot temperatures, soot structure, major gas species concentrations, radical species (H, OH, and O) concentrations, and gas velocities. The results show that as distance increases along the axes of the flames, detectable soot formation begins when significant H concentrations are present, and ends when acetylene concentrations become small. Species potentially associated with soot oxidation-O2, CO2, H2O, O, and OH-are present throughout the soot-formation region so that soot formation and oxidation proceed at the same time. Strong rates of soot growth compared to soot nucleation early in the soot-formation process, combined with increased rates of soot nucleation and oxidation as soot formation proceeds, causes primary soot particle diameters to reach a maximum relatively early in the soot-formation process. Aggregation of primary soot particles proceeds, however, until the final stages of soot oxidation. Present measurements of soot growth (corrected for soot oxidation) in laminar diffusion flames were consistent with earlier measurements of soot growth in laminar premixed flames and exhibited encouraging agreement with existing hydrogen-abstraction/carbon-addition (HACA) soot growth mechanisms in the literature that were developed based on measurements within laminar premixed flames. Measured primary soot particle nucleation rates in the present laminar diffusion flames also were consistent with corresponding rates measured in laminar premixed flames and yielded a crude correlation in terms of acetylene and H concentrations and the temperature.

  16. Soot Formation in Laminar Acetylene/Air Diffusion Flames at Atmospheric Pressure. Appendix J

    NASA Technical Reports Server (NTRS)

    Xu, F.; Faeth, G. M.; Urban, D. L. (Technical Monitor); Yuan, Z.-G. (Technical Monitor)

    2001-01-01

    The flame structure and soot-formation (soot nucleation and growth) properties of axisymmetric laminar coflowing jet diffusion flames were studied experimentally. Test conditions involved acetylene-nitrogen jets burning in coflowing air at atmospheric pressure. Measurements were limited to the axes of the flames and included soot concentrations, soot temperatures, soot structure, major gas species concentrations, radical species (H, OH, and O) concentrations, and gas velocities. The results show that as distance increases along the axes of the flames, detectable soot formation begins when significant H concentrations are present, and ends when acetylene concentrations become small. Species potentially associated with soot oxidation--O2, CO2, H2O, O, and OH-are present throughout the soot-formation region so that soot formation and oxidation proceed at the same time. Strong rates of soot growth compared to soot nucleation early in the soot-formation process, combined with increased rates of soot nucleation and oxidation as soot formation proceeds, causes primary soot particle diameters to reach a maximum relatively early in the soot-formation process. Aggregation of primary soot particles proceeds, however, until the final stages of soot oxidation. Present measurements of soot growth (corrected for soot oxidation) in laminar diffusion flames were consistent with earlier measurements of soot growth in laminar premixed flames and exhibited encouraging agreement with existing hydrogen-abstraction/carbon-addition (HACA) soot growth mechanisms in the literature that were developed based on measurements within laminar premixed flames. Measured primary soot particle nucleation rates in the present laminar diffusion flames also were consistent with corresponding rates measured in laminar premixed flames and yielded a crude correlation in terms of acetylene and H concentrations and the temperature.

  17. COMPUTATIONAL MODELING AND EXPERIMENTAL STUDIES ON NOx REDUCTION UNDER PULVERIZED COAL COMBUSTION CONDITIONS

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

    Subha K. Kumpaty; Kannikeswaran Subramanian; Victor P. Nokku

    1998-06-01

    In this work, both computer simulation and experimental studies were conducted to investigate several strategies for NO{sub x} reduction under pulverized coal combustion conditions with an aim to meet the stringent environmental standards for NO{sub x} control. Both computer predictions and reburning experiments yielded favorable results in terms of NO{sub x} control by reburning with a combination of methane and acetylene as well as non-selective catalytic reduction of NO{sub x} with ammonia following reburning with methane. The greatest reduction was achieved at the reburning stoichiometric ratio of 0.9; the reduction was very significant, as clearly shown in Chapters III andmore » V. Both the experimental and computational results favored mixing gases: methane and acetylene (90% and 10% respectively) and methane and ammonia (98% and 2%) in order to get optimum reduction levels which can not be achieved by individual gases at any amounts. Also, the above gaseous compositions as reburning fuels seemed to have a larger window of stoichiometric ratio (SR2 < 0.9) as opposed to just methane (SR2=0.9) so as to reduce and keep NO{sub x} at low ppm levels. From the various computational runs, it has been observed that although there are several pathways that contribute to NO{sub x} reduction, the key pathway is NO {r_arrow} HCN {r_arrow} NH{sub 3} {r_arrow} N{sub 2} + H{sub 2}. With the trends established in this work, it is possible to scale the experimental results to real time industrial applications using computational calculations.« less

  18. The Synthesis and Isothermal Aging Behavior of Oxygen-Free Acetylene Terminated Quinoxalines

    DTIC Science & Technology

    1981-05-01

    Sabourin (Reference 10), to the acetylene-terminated quinoxalines which were purified by chromatog- raphy on silica gel. Overall yields, Tg values, onset and...10. E. J. Sabourin , ACS Petroleum Chem. Prep., 24 (1), 233 (1979). 8 AFWAL-TR-81-4004 KEY TO FIGURES 1, 2 AND 3 HCrCC 0 0= 0 W r0 CECH 0 0 N ý IN HCC-N

  19. TOXICITY OF ACETYLENIC ALCOHOLS TO THE FATHEAD MINNOW, PIMEPHALES PROMELAS: NARCOSIS AND PROELECTROPHILE ACTIVATION

    EPA Science Inventory

    The 96-h LC50 values for 16 acetylenic alcohols in the fathead minnow (Pimephales promelas) were determined using continuous-flow diluters. The measured LC50 values for seven tertiary propargylic alcohols agreed closely with the QSAR predictions based upon data for other organic ...

  20. The electronic structure and second-order nonlinear optical properties of donor-acceptor acetylenes - A detailed investigation of structure-property relationships

    NASA Technical Reports Server (NTRS)

    Stiegman, A. E.; Graham, Eva; Khundkar, Lutfur R.; Perry, Joseph W.; Cheng, L.-T.; Perry, Kelly J.

    1991-01-01

    A series of donor-acceptor acetylene compounds was synthesized in which systematic changes in both the conjugation length and the donor-acceptor strength were made. The effect of these structural changes on the spectroscopic and electronic properties of the molecules and, ultimately, on the measured second-order molecular hyperpolarizabilities (beta) was investigated. It was found that increases in the donor-acceptor strength resulted in increases in the magnitude of beta. For this class of molecules, the increase is dominated by the energy of the intramolecular charge-transfer transition, while factors such as the ground to excited-state dipole moment change and the transition-moment integral are much less important. Increasing the conjugation length from one to two acetylene linkers did not result in an increase in the value of beta; however, beta increased sharply in going from two acetylenes to three. This increase is attributed to the superposition of several nearly isoenergetic excited states.

  1. Conformational polymorphs of a novel TCNQ derivative carrying an acetylene group

    NASA Astrophysics Data System (ADS)

    Iida, Yuki; Kataoka, Makoto; Okuno, Tsunehisa

    2018-01-01

    TCNQ is one of the most important organic acceptors and lots of its derivatives have been prepared. However the reports on their crystal polymorphs are limited to their complexes, and simple polymorphs of TCNQ derivatives are uncommon. We succeeded in preparation of a novel TCNQ derivative, 2,2'-(2-(prop-2-yn-1-yloxy)cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile, having a propynyloxy group on a substituent. This compound was found to have two crystal polymorphs depending on a solvent for recrystallization. In polymorph I, dimeric hydrogen bonds are formed between acetylenic hydrogens and cyano nitrogens with the molecule in an inversion symmetry. While, in polymorph II, the molecules make intermolecular hydrogen bonds between acetylenic hydrogens and cyano nitrogens with the molecule in 21 symmetry, forming a hydrogen bonded molecular helix along the b axis. Besides patterns of the intermolecular hydrogen bonds, difference was recognized in conformation of propynyloxy group. The molecule has an anti conformation in polymorph I and a gauche conformation in polymorph II. DFT calculation indicates that the anti conformer is less stable than the gauche one. But a solvation model suggests the anti conformer is estimated to be more stable in a toluene solution.

  2. Carbon Dioxide Reduction Post-Processing Sub-System Development

    NASA Technical Reports Server (NTRS)

    Abney, Morgan B.; Miller, Lee A.; Greenwood, Zachary; Barton, Katherine

    2012-01-01

    The state-of-the-art Carbon Dioxide (CO2) Reduction Assembly (CRA) on the International Space Station (ISS) facilitates the recovery of oxygen from metabolic CO2. The CRA utilizes the Sabatier process to produce water with methane as a byproduct. The methane is currently vented overboard as a waste product. Because the CRA relies on hydrogen for oxygen recovery, the loss of methane ultimately results in a loss of oxygen. For missions beyond low earth orbit, it will prove essential to maximize oxygen recovery. For this purpose, NASA is exploring an integrated post-processor system to recover hydrogen from CRA methane. The post-processor, called a Plasma Pyrolysis Assembly (PPA) partially pyrolyzes methane to recover hydrogen with acetylene as a byproduct. In-flight operation of post-processor will require a Methane Purification Assembly (MePA) and an Acetylene Separation Assembly (ASepA). Recent efforts have focused on the design, fabrication, and testing of these components. The results and conclusions of these efforts will be discussed as well as future plans.

  3. Taple-top imaging of the non-adiabatically driven isomerization in the acetylene cation

    NASA Astrophysics Data System (ADS)

    Beaulieu, Samuel; Ibrahim, Heide; Wales, Benji; Schmidt, Bruno E.; Thiré, Nicolas; Bisson, Éric; Hebeisen, Christoph T.; Wanie, Vincent; Giguere, Mathieu; Kieffer, Jean-Claude; Sanderson, Joe; Schuurman, Michael S.; Légaré, François

    2014-05-01

    One of the primary goals of modern ultrafast science is to follow nuclear and electronic evolution of molecules as they undergo a photo-chemical reaction. Most of the interesting dynamics phenomena in molecules occur when an electronically excited state is populated. When the energy difference between electronic ground and excited states is large, Free Electron Laser (FEL) and HHG-based VUV sources were, up to date, the only light sources able to efficiently initiate those non-adiabatic dynamics. We have developed a simple table-top approach to initiate those rich dynamics via multiphoton absorption. As a proof of principle, we studied the ultrafast isomerization of the acetylene cation. We have chosen this model system for isomerization since the internal conversion mechanism which leads to proton migration is still under debate since decades. Using 266 nm multiphoton absorption as a pump and 800 nm induced Coulomb Explosion as a probe, we have shoot the first high-resolution molecular movie of the non-adiabatically driven proton migration in the acetylene cation. The experimental results are in excellent agreement with high level ab initio trajectory simulations.

  4. 2-methyl-3-butyn-2-ol as an acetylene precursor in the Mannich reaction. A new synthesis of suicide inactivators of monoamine oxidase

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

    Fowler, J.S.

    A two-step reaction process is reported for the synthesis of /sup 11/C, /sup 13/C, or /sup 14/C-labelled propargylamines in moderate yields. The propargylamines were prepared by a modified Mannich scheme without the use of acetylene. The reaction scheme involved the use of 2-methyl-3-butyn-2-ol followed by KOH-catalyzed elimination of acetone from the acetylenic carbinols. (BLM)

  5. A biogeochemical and genetic survey of acetylene fermentation by environmental samples and bacterial isolates

    USGS Publications Warehouse

    Miller, Laurence G.; Baesman, Shaun M.; Kirshtein, Julie; Voytek, Mary A.; Oremland, Ronald S.

    2013-01-01

    Anoxic samples (sediment and groundwater) from 13 chemically diverse field sites were assayed for their ability to consume acetylene (C2H2). Over incubation periods ranging from ˜ 10 to 80 days, selected samples from 7 of the 13 tested sites displayed significant C2H2 removal. No significant formation of ethylene was noted in these incubations; therefore, C2H2 consumption could be attributed to acetylene hydratase (AH) rather than nitrogenase activity. This putative AH (PAH) activity was observed in only 21% of the total of assayed samples, while amplification of AH genes from extracted DNA using degenerate primers derived from Pelobacter acetylenicus occurred in even fewer (9.8%) samples. Acetylene-fermenting bacteria were isolated as a pure culture from the sediments of a tidal mudflat in San Francisco Bay (SFB93) and as an enrichment culture from freshwater Searsville Lake (SV7). Comparison of 16S rDNA clone libraries revealed that SFB93 was closely related to P. carbolinicus, while SV7 consisted of several unrelated bacteria. AH gene was amplified from SFB93 but not SV7. The inability of the primers to generate amplicons in the SV7 enrichment, as well as from several of the environmental samples that displayed PAH activity, implied that either the primers were too highly constrained in their specificity or that there was a different type of AH gene in these environmental samples than occurs in P. acetylenicus. The significance of this work with regard to the search for life in the outer Solar System, where C2HL2 is abundant, is discussed.

  6. Large-scale synthesis of high-purity well-aligned carbon nanotubes using pyrolysis of iron(II) phthalocyanine and acetylene

    NASA Astrophysics Data System (ADS)

    Liu, B. C.; Lee, T. J.; Lee, S. H.; Park, C. Y.; Lee, C. J.

    2003-08-01

    Well-aligned carbon nanotubes (CNTs) with high purity have been produced by pyrolysis of iron(II) phthalocyanine and acetylene at 800 °C. The synthesized CNTs have a length of 75 μm and diameters ranging from 20 to 60 nm. The CNTs have a bamboo-like structure and exhibit good crystallinity of graphite sheets. The growth rate of the CNTs was rapidly increased with adding C 2H 2. Our results demonstrate that the proposed growth method is suitable to large-scale synthesis of high-purity well-aligned CNTs on various substrates.

  7. Interpenetrating polymer networks from acetylene terminated materials

    NASA Technical Reports Server (NTRS)

    Connell, J. W.; Hergenrother, P. M.

    1989-01-01

    As part of a program to develop high temperature/high performance structural resins for aerospace applications, the chemistry and properties of a novel class of interpenetrating polymer networks (IPNs) were investigated. These IPNs consist of a simple diacetylenic compound (aspartimide) blended with an acetylene terminated arylene ether oligomer. Various compositional blends were prepared and thermally cured to evaluate the effect of crosslink density on resin properties. The cured IPNs exhibited glass transition temperatures ranging from 197 to 254 C depending upon the composition and cure temperature. The solvent resistance, fracture toughness and coefficient of thermal expansion of the cured blends were related to the crosslink density. Isothermal aging of neat resin moldings, adhesive and composite specimens showed a postcure effect which resulted in improved elevated temperature properties. The chemistry, physical and mechanical properties of these materials will be discussed.

  8. A potential plant-derived antifungal acetylenic acid mediates its activity by interfering with fatty acid homeostasis

    USDA-ARS?s Scientific Manuscript database

    6-Nonadecynoic acid (6-NDA), a plant-derived acetylenic acid, exhibits strong inhibitory activity against the human fungal pathogens Candida albicans, Aspergillus fumigatus, and Trichophyton mentagrophytes. In the present study, transcriptional profiling coupled with mutant and biochemical analyses...

  9. Mechanism-based inactivation of cytochrome P-450 dependent benzo(a)pyrene hydroxylase activity by acetylenic and olefinic polycyclic arylhydrocarbons

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

    Gan, L.S.

    A series of aryl acetylenes and aryl olefins have been examined as substrates and inhibitors of cytochrome P-450 dependent monooxygenases in liver microsomes from 5,6-benzoflavone or phenobarbital pretreated rats. 1-Ethynylpyrene (EP), 3-ethynylperylene (EPL), cis- and trans-1-(2-bromo-vinyl)pyrene (c-BVP and t-BVP), and 1-allylpyrene (AP) serve as mechanism-based irreversible inactivators (suicide inhibitors) of benzo(a)pyrene (BP) hydroxylase, while 1-vinyl-pyrene (VP) and phenyl 1-pyrenyl acetylene (PPA) do not cause a detectable suicide inhibition of the BP hydroxylase. The mechanism-based loss of BP hydroxylase activity caused by the aryl acetylenes is not accompanied by a corresponding loss of the P-450 content of the microsomes. In themore » presence of NADPH, /sup 3/H-labeled EP covalently attached to P-450 isozymes with a measured stoichiometry of one mole of EP per mole of the P-450 heme. The results of the effects of these aryl derivatives in the mammalian cell-mediated mutagenesis assay and toxicity assay show that none of the compounds examined nor any of the their metabolites produced in the incubation system are cytotoxic to V79 cells.« less

  10. Excited-state dynamics of acetylene excited to individual rotational level of the V04K01 subband

    NASA Astrophysics Data System (ADS)

    Makarov, Vladimir I.; Kochubei, Sergei A.; Khmelinskii, Igor V.

    2006-01-01

    Dynamics of the IR emission induced by excitation of the acetylene molecule using the (32Ka0,1,2,ÃAu1←41la1,X˜Σg+1) transition was investigated. The observed IR emission was assigned to transitions between the ground-state vibrational levels. Acetylene fluorescence quenching induced by external electric and magnetic fields acting upon the system prepared using the (34Ka1,ÃAu1←00la0,X˜Σg+1) excitation was also studied. External electric field creates an additional radiationless pathway to the ground-state levels, coupling levels of the ÃAu1 excited state to the quasiresonant levels of the X˜Σg+1 ground state. The level density of the ground state in the vicinity of the excited state is very high, thus the electric-field-induced transition is irreversible, with the rate constant described by the Fermi rule. Magnetic field alters the decay profile without changing the fluorescence quantum yield in collisionless conditions. IR emission from the CCH transient was detected, and was also affected by the external electric and magnetic fields. Acetylene predissociation was demonstrated to proceed by the direct S1→S0 mechanism. The results were explained using the previously developed theoretical approach, yielding values of the relevant model parameters.

  11. Wavelength locking of CW and Q-switched Er(3+) microchip lasers to acetylene absorption lines using pump-power modulation.

    PubMed

    Brunel, Marc; Vallet, Marc

    2007-02-19

    We show that modulating the diode-pump power of a microchip solid-state laser enables to lock its wavelength to a reference molecular line. The method is applied to two different types of Er,Yb:glass monolithic microchip lasers operating at 1.53 microm. First, wavelength locking of a continuous-wave dual-polarization microchip laser to acetylene absorption lines is demonstrated, without using any additional modulator, internal or external. We then show that, remarkably, this simple method is also suitable for stabilizing a passively Q-switched microchip laser. A pulsed wavelength stability of 10(-8) over 1 hour is readily observed. Applications to lidars and to microwave photonics are discussed.

  12. Indole synthesis by conjugate addition of anilines to activated acetylenes and an unusual ligand-free copper(II)-mediated intramolecular cross-coupling.

    PubMed

    Gao, Detian; Back, Thomas G

    2012-11-12

    A versatile new synthesis of indoles was achieved by the conjugate addition of N-formyl-2-haloanilines to acetylenic sulfones, ketones, and esters followed by a copper-catalyzed intramolecular C-arylation. The conjugate addition step was conducted under exceptionally mild conditions at room temperature in basic, aqueous DMF. Surprisingly, the C-arylation was performed most effectively by employing copper(II) acetate as the catalyst in the absence of external ligands, without the need for protection from air or water. An unusual feature of this process, for the case of acetylenic ketones, is the ability of the initial conjugate-addition product to serve as a ligand for the catalyst, which enables it to participate in the catalysis of its further transformation to the final indole product. Mechanistic studies, including EPR experiments, indicated that copper(II) is reduced to the active copper(I) species by the formate ion that is produced by the base-catalyzed hydrolysis of DMF. This process also served to recycle any copper(II) that was produced by the adventitious oxidation of copper(I), thereby preventing deactivation of the catalyst. Several examples of reactions involving acetylenic sulfones attached to a modified Merrifield resin demonstrated the feasibility of solid-phase synthesis of indoles by using this protocol, and tricyclic products were obtained in one pot by employing acetylenic sulfones that contain chloroalkyl substituents. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Acetylene fuel from atmospheric CO2 on Mars

    NASA Technical Reports Server (NTRS)

    Landis, Geoffrey A.; Linne, Diane L.

    1992-01-01

    The Mars mission scenario proposed by Baker and Zubrin (1990) intended for an unmanned preliminary mission is extended to maximize the total impulse of fuel produced with a minimum mass of hydrogen from Earth. The hydrogen along with atmospheric carbon dioxide is processed into methane and oxygen by the exothermic reaction in an atmospheric processing module. Use of simple chemical reactions to produce acetylene/oxygen rocket fuel on Mars from hydrogen makes it possible to produce an amount of fuel that is nearly 100 times the mass of hydrogen brought from earth. If such a process produces the return propellant for a manned Mars mission, the required mission mass in LEO is significantly reduced over a system using all earth-derived propellants.

  14. A detailed kinetic modeling study of aromatics formation in laminar premixed acetylene and ethylene flames

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

    Wang, H.; Frenklach, M.

    1997-07-01

    A computational study was performed for the formation and growth of polycyclic aromatic hydrocarbons (PAHs) in laminar premixed acetylene and ethylene flames. A new detailed reaction mechanism describing fuel pyrolysis and oxidation, benzene formation, and PAH mass growth and oxidation is presented and critically tested. It is shown that the reaction model predicts reasonably well the concentration profiles of major and intermediate species and aromatic molecules in a number of acetylene and ethylene flames reported in the literature. It is demonstrated that reactions of n-C{sub 4}H{sub x} + C{sub 2}H{sub 2} leading to the formation of one-ring aromatics are asmore » important as the propargyl recombination, and hence must be included in kinetic modeling of PAH formation in hydrocarbon flames. It is further demonstrated that the mass growth of PAHs can be accounted for by the previously proposed H-abstraction-C{sub 2}H{sub 2}-addiction mechanism.« less

  15. Complete basis set extrapolations for low-lying triplet electronic states of acetylene and vinylidene

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

    Sherrill, C. David; Byrd, Edward F. C.; Head-Gordon, Martin

    2000-07-22

    A recent study by Ahmed, Peterka, and Suits [J. Chem. Phys. 110, 4248 (1999)] has presented the first experimentally derived estimate of the singlet-triplet gap in the simplest alkyne, acetylene. Their value, T{sub 0}(a(tilde sign) {sup 3}B{sub 2})=28 900 cm{sup -1}, does not agree with previous theoretical predictions using the coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] method and a triple-{zeta} plus double polarization plus f-function basis set (TZ2P f ), which yields 30 500{+-}1000 cm{sup -1}. This discrepancy has prompted us to investigate possible deficiencies in this usually-accurate theoretical approach. Employing extrapolations to the complete basis set limit alongmore » with corrections for full connected triple excitations, core correlation, and even relativistic effects, we obtain a value of 30 900 cm-1 (estimated uncertainty {+-}230 cm-1), demonstrating that the experimental value is underestimated. To assist in the interpretation of anticipated future experiments, we also present highly accurate excitation energies for the other three low-lying triplet states of acetylene, a(tilde sign) {sup 3}B{sub u}(33 570{+-}230 cm{sup -1}), b(tilde sign) {sup 3}A{sub u}(36 040{+-}260 cm{sup -1}), and b(tilde sign) {sup 3}A{sub 2}(38 380{+-}260 cm{sup -1}), and the three lowest-lying states of vinylidene, X(tilde sign) {sup 1}A{sub 1}(15 150{+-}230 cm{sup -1}), a(tilde sign) {sup 3}B{sub 2}(31 870{+-}230 cm{sup -1}), and b(tilde sign) {sup 3}A{sub 2}(36 840{+-}350 cm{sup -1}). Finally, we assess the ability of density functional theory (DFT) and the Gaussian-3 method to match our benchmark results for adiabatic excitation energies of C{sub 2}H{sub 2}. (c) 2000 American Institute of Physics.« less

  16. Separation of Acetylene from Carbon Dioxide and Ethylene by a Water-Stable Microporous Metal-Organic Framework with Aligned Imidazolium Groups inside the Channels.

    PubMed

    Lee, Jaechul; Chuah, Chong Yang; Kim, Jaheon; Kim, Youngsuk; Ko, Nakeun; Seo, Younggyu; Kim, Kimoon; Bae, Tae Hyun; Lee, Eunsung

    2018-04-24

    Separation of acetylene from carbon dioxide and ethylene is challenging in view of their similar sizes and physical properties. Metal-organic frameworks (MOFs) in general are strong candidates for these separations owing to the presence of functional pore surfaces that can selectively capture a specific target molecule. Here, we report a novel 3D microporous cationic framework named JCM-1. This structure possesses imidazolium functional groups on the pore surfaces and pyrazolate as a metal binding group, which is well known to form strong metal-to-ligand bonds. The selective sorption of acetylene over carbon dioxide and ethylene in JCM-1 was successfully demonstrated by equilibrium gas adsorption analysis as well as dynamic breakthrough measurement. Furthermore, its excellent hydrolytic stability makes the separation processes highly recyclable without a substantial loss in acetylene uptake capacity. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Aromatic ring generation as a dust precursor in acetylene discharges

    NASA Astrophysics Data System (ADS)

    De Bleecker, Kathleen; Bogaerts, Annemie; Goedheer, Wim

    2006-04-01

    Production of aromatic hydrocarbon compounds as an intermediate step for particle formation in low-pressure acetylene discharges is investigated via a kinetic approach. The detailed chemical reaction mechanism contains 140 reactions among 55 species. The cyclic hydrocarbon chemistry is mainly based on studies of polycyclic aromatic hydrocarbon formation in cosmic environments. The model explicitly includes organic chain, cyclic molecules, radicals, and ions up to a size of 12 carbon atoms. The calculated density profiles show that the aromatic formation yields are quite significant, suggesting that aromatic compounds play a role in the underlying mechanisms of particle formation in hydrocarbon plasmas.

  18. Effect of injection pressure on performance, emission, and combustion characteristics of diesel-acetylene-fuelled single cylinder stationary CI engine.

    PubMed

    Srivastava, Anmesh Kumar; Soni, Shyam Lal; Sharma, Dilip; Jain, Narayan Lal

    2018-03-01

    In this paper, the effect of injection pressure on the performance, emission, and combustion characteristics of a diesel-acetylene fuelled single cylinder, four-stroke, direct injection (DI) diesel engine with a rated power of 3.5 kW at a rated speed of 1500 rpm was studied. Experiments were performed in dual-fuel mode at four different injection pressures of 180, 190, 200, and 210 bar with a flow rate of 120 LPH of acetylene and results were compared with that of baseline diesel operation. Experimental results showed that highest brake thermal efficiency of 27.57% was achieved at injection pressure of 200 bar for diesel-acetylene dual-fuel mode which was much higher than 23.32% obtained for baseline diesel. Carbon monoxide, hydrocarbon, and smoke emissions were also measured and found to be lower, while the NO x emissions were higher at 200 bar in dual fuel mode as compared to those in other injection pressures in dual fuel mode and also for baseline diesel mode. Peak cylinder pressure, net heat release rate, and rate of pressure rise were also calculated and were higher at 200 bar injection pressure in dual fuel mode.

  19. Development of a spectrofluorimetry-based device for determining the acetylene content in the oils of power transformers.

    PubMed

    Quintella, Cristina M; Meira, Marilena; Silva, Weidson Leal; Filho, Rogério G D; Araújo, André L C; Júnior, Elias T S; Sales, Lindolfo J O

    2013-12-15

    Power transformers are essential for a functioning electrical system and therefore require special attention by maintenance programs because a fault can harm both the company and society. The temperature inside a power transformer and the dissolved gases, which are primarily composed of acetylene, are the two main parameters monitored when detecting faults. This paper describes the development of a device for analyzing the acetylene content in insulating oil using spectrofluorimetry. Using this device introduces a new methodology for the maintaining and operating power transformers. The prototype is currently operating in a substation. The results presented by this system were satisfactory; when compared to chromatographic data, the errors did not exceed 15%. This prototype may be used to confirm the quality of an insulating oil sample to detect faults in power transformers. © 2013 Elsevier B.V. All rights reserved.

  20. Nitrogen-doped Carbon Derived from ZIF-8 as a High-performance Metal-free Catalyst for Acetylene Hydrochlorination

    NASA Astrophysics Data System (ADS)

    Chao, Songlin; Zou, Fang; Wan, Fanfan; Dong, Xiaobin; Wang, Yanlin; Wang, Yuxuan; Guan, Qingxin; Wang, Guichang; Li, Wei

    2017-01-01

    Acetylene hydrochlorination is a major industrial technology for manufacturing vinyl chloride monomer in regions with abundant coal resources; however, it is plagued by the use of mercury(II) chloride catalyst. The development of a nonmercury catalyst has been extensively explored. Herein, we report a N-doped carbon catalyst derived from ZIF-8 with both high activity and quite good stability. The acetylene conversion reached 92% and decreased slightly during a 200 h test at 220 °C and atmospheric pressure. Experimental studies and theoretical calculations indicate that C atoms adjacent to the pyridinic N are the active sites, and coke deposition covering pyridinic N is the main reason for catalyst deactivation. The performance of those N-doped carbons makes it possible for practical applications with further effort. Furthermore, the result also provides guidance for designing metal-free catalysts for similar reactions.

  1. Seasonal variations of temperature, acetylene and ethane in Saturn's atmosphere from 2005 to 2010, as observed by Cassini-CIRS

    NASA Astrophysics Data System (ADS)

    Sinclair, J. A.; Irwin, P. G. J.; Fletcher, L. N.; Moses, J. I.; Greathouse, T. K.; Friedson, A. J.; Hesman, B.; Hurley, J.; Merlet, C.

    2013-07-01

    Acetylene (C2H2) and ethane (C2H6) are by-products of complex photochemistry in the stratosphere of Saturn. Both hydrocarbons are important to the thermal balance of Saturn's stratosphere and serve as tracers of vertical motion in the lower stratosphere. Earlier studies of Saturn's hydrocarbons using Cassini-CIRS observations have provided only a snapshot of their behaviour. Following the vernal equinox in August 2009, Saturn's northern and southern hemispheres have entered spring and autumn, respectively, however the response of Saturn's hydrocarbons to this seasonal shift remains to be determined. In this paper, we investigate how the thermal structure and concentrations of acetylene and ethane have evolved with the changing season on Saturn. We retrieve the vertical temperature profiles and acetylene and ethane volume mixing ratios from Δν˜=15.5cm-1 Cassini-CIRS observations. In comparing 2005 (solar longitude, Ls ˜ 308°), 2009 (Ls ˜ 3°) and 2010 (Ls ˜ 15°) results, we observe the disappearance of Saturn's warm southern polar hood with cooling of up to 17.1 K ± 0.8 K at 1.1 mbar at high-southern latitudes. Comparison of the derived temperature trend in this region with a radiative climate model (Section 4 of Fletcher et al., 2010 and Greathouse et al. (2013, in preparation)) indicates that this cooling is radiative although dynamical changes in this region cannot be ruled out. We observe a 21 ± 12% enrichment of acetylene and a 29 ± 11% enrichment of ethane at 25°N from 2005 to 2009, suggesting downwelling at this latitude. At 15°S, both acetylene and ethane exhibit a decrease in concentration of 6 ± 11% and 17 ± 9% from 2005 to 2010, respectively, which suggests upwelling at this latitude (though a statistically significant change is only exhibited by ethane). These implied vertical motions at 15°S and 25°N are consistent with a recently-developed global circulation model of Saturn's tropopause and stratosphere(Friedson and Moses, 2012), which

  2. ASD-1000: High-resolution, high-temperature acetylene spectroscopic databank

    NASA Astrophysics Data System (ADS)

    Lyulin, O. M.; Perevalov, V. I.

    2017-11-01

    We present a high-resolution, high-temperature version of the Acetylene Spectroscopic Databank called ASD-1000. The databank contains the line parameters (position, intensity, Einstein coefficient for spontaneous emission, term value of the lower states, self- and air-broadening coefficients, temperature dependence exponents of the self- and air-broadening coefficients) of the principal isotopologue of C2H2. The reference temperature for line intensity is 296 K and the intensity cutoff is 10-27 cm-1/(molecule cm-2) at 1000 K. The databank has 33,890,981 entries and covers the 3-10,000 cm-1 spectral range. The databank is based on the global modeling of the line positions and intensities performed within the framework of the method of effective operators. The parameters of the effective Hamiltonian and the effective dipole moment operator have been fitted to the observed values of the line positions and intensities collected from the literature. The broadening coefficients as well as their temperature dependence exponents were calculated using the empirical equations. The databank is useful for studying high-temperature radiative properties of C2H2. ASD-1000 is freely accessible via the Internet site of V.E. Zuev Institute of Atmospheric Optics SB RAS ftp://ftp.iao.ru/pub/ASD1000/.

  3. Three-dimensional carbon allotropes comprising phenyl rings and acetylenic chains in sp+ sp 2 hybrid networks

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

    Wang, Jian -Tao; Chen, Changfeng; Li, Han -Dong

    Here, we here identify by ab initio calculations a new type of three-dimensional (3D) carbon allotropes that consist of phenyl rings connected by linear acetylenic chains in sp+ sp 2 bonding networks. These structures are constructed by inserting acetylenic or diacetylenic bonds into an all sp 2-hybridized rhombohedral polybenzene lattice, and the resulting 3D phenylacetylene and phenyldiacetylene nets comprise a 12-atom and 18-atom rhombohedral primitive unit cells R - 3m symmetry, which are characterized as the 3D chiral crystalline modification of 2D graphyne and graphdiyne, respectively. Simulated phonon spectra reveal that these structures are dynamically stable. Electronic band calculations indicatemore » that phenylacetylene is metallic, while phenyldiacetylene is a semiconductor with an indirect band gap of 0.58 eV. The present results establish a new type of carbon phases and offer insights into their outstanding structural and electronic properties.« less

  4. Three-dimensional carbon allotropes comprising phenyl rings and acetylenic chains in sp+ sp 2 hybrid networks

    DOE PAGES

    Wang, Jian -Tao; Chen, Changfeng; Li, Han -Dong; ...

    2016-04-18

    Here, we here identify by ab initio calculations a new type of three-dimensional (3D) carbon allotropes that consist of phenyl rings connected by linear acetylenic chains in sp+ sp 2 bonding networks. These structures are constructed by inserting acetylenic or diacetylenic bonds into an all sp 2-hybridized rhombohedral polybenzene lattice, and the resulting 3D phenylacetylene and phenyldiacetylene nets comprise a 12-atom and 18-atom rhombohedral primitive unit cells R - 3m symmetry, which are characterized as the 3D chiral crystalline modification of 2D graphyne and graphdiyne, respectively. Simulated phonon spectra reveal that these structures are dynamically stable. Electronic band calculations indicatemore » that phenylacetylene is metallic, while phenyldiacetylene is a semiconductor with an indirect band gap of 0.58 eV. The present results establish a new type of carbon phases and offer insights into their outstanding structural and electronic properties.« less

  5. Transient quantum coherent effects in the acetylene-filled hollow-core photonic crystal fiber

    NASA Astrophysics Data System (ADS)

    Stepanov, S.; Rodríguez Casillas, N.; Ocegueda Miramontes, M.; Hernández Hernández, E.

    2017-02-01

    Low-pressure acetylene in the hollow-core photonic crystal structure fibers is an excellent medium for the room-temperature investigation of the coherent quantum effects in communication wavelength region. Pulsed excitation enables observation of new coherent phenomena like optical nutation or photon echo and evaluation of important temporal characteristics of the light-molecule interactions. We also report original experimental results on the pulsed excitation of the electromagnetically induced transparency in co- and counter-propagation configurations.

  6. Adhesive and composite evaluation of acetylene-terminated phenylquinoxaline resins

    NASA Technical Reports Server (NTRS)

    Hergenrother, P. M.

    1981-01-01

    A series of acetylene-terminated phenylquinoxaline (ATPQ) oligomers of various molecular weights were prepared and subsequently chain extended by the thermally induced reaction of the ethynyl groups. The processability and thermal properties of these oligomers and their cured resins were compared with that of a relatively high molecular weight linear polyphenylquinoxaline (PPQ) with the same chemical backbone. The ATPQ oligomers exhibited significantly better processability than the linear PPQ but the PPQ displayed substantially better thermooxidative stability. Adhesive (Ti/Ti) and composite (graphite filament reinforcement) work was performed to evaluate the potential of these materials for structural applications. The PPQ exhibited better retention of adhesive and laminate properties than the ATPQ resins at 260 C after aging for 500 hr at 260 C in circulating air.

  7. Highly oxygenated bisabolenes and an acetylene from Matricaria aurea.

    PubMed

    Ahmed, A A; Abou Elela, M

    1999-06-01

    Reinvestigation of the aerial parts of Matricaria aurea led to the isolation of three new bisabolenes and a new acetylene. The structures of the four compounds, namely (1R*,2R*,3R*,6R*,7R*)1,2,3,6,7- pentahydroxy-bisabol-10(11)-ene, (1R*,2R*,3R*,6R*,7R*)1,2,3,6,7-pentahydroxy-1-acetoxy-bisabol-10(1 1)-ene, (1R*,2R*,3R*,6R*,7R*)1,2,3,6,7-pentahydroxy-2-acetoxy-bisabol-10(1 1)-ene and (3S*,4S*,5R*)-(E)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6- dioxaspiro-(4,5)decane, were deduced from the high field NMR studies.

  8. Toward power scaling in an acetylene mid-infrared hollow-core optical fiber gas laser: effects of pressure, fiber length, and pump power

    NASA Astrophysics Data System (ADS)

    Weerasinghe, H. W. Kushan; Dadashzadeh, Neda; Thirugnanasambandam, Manasadevi P.; Debord, Benoît.; Chafer, Matthieu; Gérôme, Frédéric; Benabid, Fetah; Corwin, Kristan L.; Washburn, Brian R.

    2018-02-01

    The effect of gas pressure, fiber length, and optical pump power on an acetylene mid-infrared hollow-core optical fiber gas laser (HOFGLAS) is experimentally determined in order to scale the laser to higher powers. The absorbed optical power and threshold power are measured for different pressures providing an optimum pressure for a given fiber length. We observe a linear dependence of both absorbed pump energy and lasing threshold for the acetylene HOFGLAS, while maintaining a good mode quality with an M-squared of 1.15. The threshold and mode behavior are encouraging for scaling to higher pressures and pump powers.

  9. An Empirical Spectroscopic Database for Acetylene in the Regions of 5850-9415 CM^{-1}

    NASA Astrophysics Data System (ADS)

    Campargue, Alain; Lyulin, Oleg

    2017-06-01

    Six studies have been recently devoted to a systematic analysis of the high-resolution near infrared absorption spectrum of acetylene recorded by Cavity Ring Down spectroscopy (CRDS) in Grenoble and by Fourier-transform spectroscopy (FTS) in Brussels and Hefei. On the basis of these works, in the present contribution, we construct an empirical database for acetylene in the 5850 - 9415 \\wn region excluding the 6341-7000 \\wn interval corresponding to the very strong νb{1}+ νb{3} manifold. The database gathers and extends information included in our CRDS and FTS studies. In particular, the intensities of about 1700 lines measured by CRDS in the 7244-7920 \\wn are reported for the first time together with those of several bands of ^{12}C^{13}CH_{2} present in natural isotopic abundance in the acetylene sample. The Herman-Wallis coefficients of most of the bands are derived from a fit of the measured intensity values. A recommended line list is provided with positions calculated using empirical spectroscopic parameters of the lower and upper energy vibrational levels and intensities calculated using the derived Herman-Wallis coefficients. This approach allows completing the experimental list by adding missing lines and improving poorly determined positions and intensities. As a result the constructed line list includes a total of 10973 lines belonging to 146 bands of ^{12}C_{2}H_{2} and 29 bands of ^{12}C^{13}CH_{2}. For comparison the HITRAN2012 database in the same region includes 869 lines of 14 bands, all belonging to ^{12}C_{2}H_{2}. Our weakest lines have an intensity on the order of 10^{-29} cm/molecule,about three orders of magnitude smaller than the HITRAN intensity cut off. Line profile parameters are added to the line list which is provided in HITRAN format. The comparison to the HITRAN2012 line list or to results obtained using the global effective operator approach is discussed in terms of completeness and accuracy.

  10. Methane Post-Processor Development to Increase Oxygen Recovery beyond State-of-the-Art Carbon Dioxide Reduction Technology

    NASA Technical Reports Server (NTRS)

    Abney, Morgan; Miller, Lee; Greenwood, Zach; Iannantuono, Michelle; Jones, Kenny

    2013-01-01

    State-of-the-art life support carbon dioxide (CO2) reduction technology, based on the Sabatier reaction, is theoretically capable of 50% recovery of oxygen from metabolic CO2. This recovery is constrained by the limited availability of reactant hydrogen. Post-processing of the methane byproduct from the Sabatier reactor results in hydrogen recycle and a subsequent increase in oxygen recovery. For this purpose, a Methane Post-Processor Assembly containing three sub-systems has been developed and tested. The assembly includes a Methane Purification Assembly (MePA) to remove residual CO2 and water vapor from the Sabatier product stream, a Plasma Pyrolysis Assembly (PPA) to partially pyrolyze methane into hydrogen and acetylene, and an Acetylene Separation Assembly (ASepA) to purify the hydrogen product for recycle. The results of partially integrated testing of the sub-systems are reported.

  11. Methane Post-Processor Development to Increase Oxygen Recovery beyond State-of-the-Art Carbon Dioxide Reduction Technology

    NASA Technical Reports Server (NTRS)

    Abney, Morgan B.; Greenwood, Zachary; Miller, Lee A.; Alvarez, Giraldo; Iannantuono, Michelle; Jones, Kenny

    2013-01-01

    State-of-the-art life support carbon dioxide (CO2) reduction technology, based on the Sabatier reaction, is theoretically capable of 50% recovery of oxygen from metabolic CO2. This recovery is constrained by the limited availability of reactant hydrogen. Post-processing of the methane byproduct from the Sabatier reactor results in hydrogen recycle and a subsequent increase in oxygen recovery. For this purpose, a Methane Post-Processor Assembly containing three sub-systems has been developed and tested. The assembly includes a Methane Purification Assembly (MePA) to remove residual CO2 and water vapor from the Sabatier product stream, a Plasma Pyrolysis Assembly (PPA) to partially pyrolyze methane into hydrogen and acetylene, and an Acetylene Separation Assembly (ASepA) to purify the hydrogen product for recycle. The results of partially integrated testing of the sub-systems are reported

  12. An empirical spectroscopic database for acetylene in the regions of 5850-6341 cm-1 and 7000-9415 cm-1

    NASA Astrophysics Data System (ADS)

    Lyulin, O. M.; Campargue, A.

    2017-12-01

    Six studies have been recently devoted to a systematic analysis of the high-resolution near infrared absorption spectrum of acetylene recorded by Cavity Ring Down spectroscopy (CRDS) in Grenoble and by Fourier-transform spectroscopy (FTS) in Brussels and Hefei. On the basis of these works, in the present contribution, we construct an empirical database for acetylene in the 5850-9415 cm-1 region excluding the 6341-7000 cm-1 interval corresponding to the very strong ν1+ν3 manifold. Our database gathers and extends information included in our CRDS and FTS studies. In particular, the intensities of about 1700 lines measured by CRDS in the 7244-7920 cm-1 region are reported for the first time together with those of several bands of 12C13CH2 present in natural isotopic abundance in the acetylene sample. The Herman-Wallis coefficients of most of the bands are derived from a fit of the measured intensity values. A recommended line list is provided with positions calculated using empirical spectroscopic parameters of the lower and upper energy vibrational levels and intensities calculated using the derived Herman-Wallis coefficients. This approach allows completing the experimental list by adding missing lines and improving poorly determined positions and intensities. As a result the constructed line list includes a total of 11113 transitions belonging to 150 bands of 12C2H2 and 29 bands of 12C13CH2. For comparison the HITRAN database in the same region includes 869 transitions of 14 bands, all belonging to 12C2H2. Our weakest lines have an intensity on the order of 10-29 cm/molecule, about three orders of magnitude smaller than the HITRAN intensity cut off. Line profile parameters are added to the line list which is provided in HITRAN format. The comparison of the acetylene database to the HITRAN2012 line list or to results obtained using the global effective operator approach is discussed in terms of completeness and accuracy.

  13. Hydrothermal Synthesis and Acetylene Sensing Properties of Variety Low Dimensional Zinc Oxide Nanostructures

    PubMed Central

    Chen, Weigen; Peng, Shudi; Zeng, Wen

    2014-01-01

    Various morphologies of low dimensional ZnO nanostructures, including spheres, rods, sheets, and wires, were successfully synthesized using a simple and facile hydrothermal method assisted with different surfactants. Zinc acetate dihydrate was chosen as the precursors of ZnO nanostructures. We found that polyethylene glycol (PEG), polyvinylpyrrolidone (PVP), glycine, and ethylene glycol (EG) play critical roles in the morphologies and microstructures of the synthesized nanostructures, and a series of possible growth processes were discussed in detail. Gas sensors were fabricated using screen-printing technology, and their sensing properties towards acetylene gas (C2H2), one of the most important arc discharge characteristic gases dissolved in oil-filled power equipments, were systematically measured. The ZnO nanowires based sensor exhibits excellent C2H2 sensing behaviors than those of ZnO nanosheets, nanorods, and nanospheres, indicating a feasible way to develop high-performance C2H2 gas sensor for practical application. PMID:24672324

  14. Dimension reduction method for SPH equations

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

    Tartakovsky, Alexandre M.; Scheibe, Timothy D.

    2011-08-26

    Smoothed Particle Hydrodynamics model of a complex multiscale processe often results in a system of ODEs with an enormous number of unknowns. Furthermore, a time integration of the SPH equations usually requires time steps that are smaller than the observation time by many orders of magnitude. A direct solution of these ODEs can be extremely expensive. Here we propose a novel dimension reduction method that gives an approximate solution of the SPH ODEs and provides an accurate prediction of the average behavior of the modeled system. The method consists of two main elements. First, effective equationss for evolution of averagemore » variables (e.g. average velocity, concentration and mass of a mineral precipitate) are obtained by averaging the SPH ODEs over the entire computational domain. These effective ODEs contain non-local terms in the form of volume integrals of functions of the SPH variables. Second, a computational closure is used to close the system of the effective equations. The computational closure is achieved via short bursts of the SPH model. The dimension reduction model is used to simulate flow and transport with mixing controlled reactions and mineral precipitation. An SPH model is used model transport at the porescale. Good agreement between direct solutions of the SPH equations and solutions obtained with the dimension reduction method for different boundary conditions confirms the accuracy and computational efficiency of the dimension reduction model. The method significantly accelerates SPH simulations, while providing accurate approximation of the solution and accurate prediction of the average behavior of the system.« less

  15. Dubinin-Astakhov model for acetylene adsorption on metal-organic frameworks

    NASA Astrophysics Data System (ADS)

    Cheng, Peifu; Hu, Yun Hang

    2016-07-01

    Acetylene (C2H2) is explosive at a pressure above 29 psi, causing a safety issue for its storage and applications. C2H2 adsorption on metal-organic frameworks (MOFs) has been explored to solve the issue. However, a suitable isotherm equation for C2H2 adsorption on various MOFs has not been found. In this paper, it was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model to depict C2H2 adsorption on MOF-5, ZIF-8, HKUST-1, and MIL-53. In contrast, commonly used Langmuir and BET models exhibited their inapplicability for C2H2 adsorption on those MOFs.

  16. Direct determination of total sulfur in wine using a continuum-source atomic-absorption spectrometer and an air-acetylene flame.

    PubMed

    Huang, Mao Dong; Becker-Ross, Helmut; Florek, Stefan; Heitmann, Uwe; Okruss, Michael

    2005-08-01

    Determination of sulfur in wine is an important analytical task, particularly with regard to food safety legislation, wine trade, and oenology. Hitherto existing methods for sulfur determination all have specific drawbacks, for example high cost and time consumption, poor precision or selectivity, or matrix effects. In this paper a new method, with low running costs, is introduced for direct, reliable, rapid, and accurate determination of the total sulfur content of wine samples. The method is based on measurement of the molecular absorption of carbon monosulfide (CS) in an ordinary air-acetylene flame by using a high-resolution continuum-source atomic-absorption spectrometer including a novel high-intensity short-arc xenon lamp. First results for total sulfur concentrations in different wine samples were compared with data from comparative ICP-MS measurements. Very good agreement within a few percent was obtained.

  17. The Synthesis of Phenyl Acetylene Phenols for Development of New Explosives

    NASA Astrophysics Data System (ADS)

    Chikhradze, Nikoloz; Nadirashvili, Merab; Khomeriki, Sergo; Varshanidze, Iasha

    2017-12-01

    The purpose of this research is to produce derivatives of simple phenols as “raw material” for the synthesis of new phenolic explosives. A big number of valuable products is synthesized from phenol and its homologues including well-known explosives - picric acid, methyl picrate, cresolite, etc. In general, a structural modification of well-known explosives’ molecules is the most important among the methods for the synthesis of new explosives. This method can be used in certain modifications. For example, the synthesis of methyl picrate is possible not only to replace picric acid’s hydroxyl with metoxyl, but with nitration of anisole as well, i. e, by the reciprocating synthesis. Thus, to produce the new analogues of well-known phenolic explosives, the preliminary modification of simple phenols’ molecules and further nitration, presumably by a formation of dinitro derivatives may be performed. The alkylation of phenol, anisole and m - cresol by the secondary phenyl acetylene alcohols in the presence of concentrated phosphoric acid was carried out. Para-substituted alkynyl phenols with high yields were developed. The chemical transformations were carried out by a participation of their molecules’ active centres. The corresponding ethers, esters and saturated isologues have been synthesized. The article describes the conditions of a synthesis of 14 new phenyl acetylenes’ substances that may be used as substrates in a nitration reaction.

  18. van Manen's method and reduction in a phenomenological hermeneutic study.

    PubMed

    Heinonen, Kristiina

    2015-03-01

    To describe van Manen's method and concept of reduction in a study that used a phenomenological hermeneutic approach. Nurse researchers have used van Manen's method in different ways. Participants' lifeworlds are described in depth, but descriptions of reduction have been brief. The literature and knowledge review and manual search of research articles. Databases Web Science, PubMed, CINAHL and PsycINFO, without applying a time period, to identify uses of van Manen's method. This paper shows how van Manen's method has been used in nursing research and gives some examples of van Manen's reduction. Reduction enables us to conduct in-depth phenomenological hermeneutic research and understand people's lifeworlds. As there are many variations in adapting reduction, it is complex and confusing. This paper contributes to the discussion of phenomenology, hermeneutic study and reduction. It opens up reduction as a method for researchers to exploit.

  19. Recent advances in reduction methods for nonlinear problems. [in structural mechanics

    NASA Technical Reports Server (NTRS)

    Noor, A. K.

    1981-01-01

    Status and some recent developments in the application of reduction methods to nonlinear structural mechanics problems are summarized. The aspects of reduction methods discussed herein include: (1) selection of basis vectors in nonlinear static and dynamic problems, (2) application of reduction methods in nonlinear static analysis of structures subjected to prescribed edge displacements, and (3) use of reduction methods in conjunction with mixed finite element models. Numerical examples are presented to demonstrate the effectiveness of reduction methods in nonlinear problems. Also, a number of research areas which have high potential for application of reduction methods are identified.

  20. Veiling glare reduction methods compared for ophthalmic applications

    NASA Technical Reports Server (NTRS)

    Buchele, D. R.

    1981-01-01

    Veiling glare in ocular viewing was simulated by viewing the retina of an eye model through a sheet of light-scattering material lit from the front. Four methods of glare reduction were compared, namely, optical scanning, polarized light, viewing and illumination paths either coaxial or intersecting at the object, and closed circuit TV. Photographs show the effect of these methods on visibility. Polarized light was required to eliminate light specularly reflected from the instrument optics. The greatest glare reduction was obtained when the first three methods were utilized together. Glare reduction using TV was limited by nonuniform distribution of scattered light over the image.

  1. An Experimental and Theoretical Study of Nitrogen-Broadened Acetylene Lines

    NASA Technical Reports Server (NTRS)

    Thibault, Franck; Martinez, Raul Z.; Bermejo, Dionisio; Ivanov, Sergey V.; Buzykin, Oleg G.; Ma, Qiancheng

    2014-01-01

    We present experimental nitrogen-broadening coefficients derived from Voigt profiles of isotropic Raman Q-lines measured in the 2 band of acetylene (C2H2) at 150 K and 298 K, and compare them to theoretical values obtained through calculations that were carried out specifically for this work. Namely, full classical calculations based on Gordon's approach, two kinds of semi-classical calculations based on Robert Bonamy method as well as full quantum dynamical calculations were performed. All the computations employed exactly the same ab initio potential energy surface for the C2H2N2 system which is, to our knowledge, the most realistic, accurate and up-to-date one. The resulting calculated collisional half-widths are in good agreement with the experimental ones only for the full classical and quantum dynamical methods. In addition, we have performed similar calculations for IR absorption lines and compared the results to bibliographic values. Results obtained with the full classical method are again in good agreement with the available room temperature experimental data. The quantum dynamical close-coupling calculations are too time consuming to provide a complete set of values and therefore have been performed only for the R(0) line of C2H2. The broadening coefficient obtained for this line at 173 K and 297 K also compares quite well with the available experimental data. The traditional Robert Bonamy semi-classical formalism, however, strongly overestimates the values of half-width for both Qand R-lines. The refined semi-classical Robert Bonamy method, first proposed for the calculations of pressure broadening coefficients of isotropic Raman lines, is also used for IR lines. By using this improved model that takes into account effects from line coupling, the calculated semi-classical widths are significantly reduced and closer to the measured ones.

  2. Acetylene-chromene terminated resins as high temperature thermosets

    NASA Technical Reports Server (NTRS)

    Godschalx, J. P.; Inbasekaran, M. N.; Bartos, B. R.; Scheck, D. M.; Laman, S. A.

    1990-01-01

    A novel phase transfer catalyzed process for the preparation of propargyl ethers has been developed. The propargyl ethers serve as precursors to a new class of thermosetting resins called acetylene-chromene terminated (ACT) resins. Heat treatment of a solution of propargyl ethers with various catalysts, followed by removal of solvent leads to the ACT resins via partial conversion of the propargyl ether groups to chromenes. This process reduces the energy content of the resin systems and reduces the amount of shrinkage found during cure. Due to the presence of the solvent the process is safe and gives rise to low viscosity products suitable for resin transfer molding and filament winding type applications. Due to the high glass transition temperature, high modulus, and low moisture uptake the cured resins display better than 232 C/wet performance. The thermal stability of the ACT resins in air at 204 C is superior to that of conventional bismaleimide resins. The resins also display excellent electrical properties.

  3. Synthesis of 3-iodoindoles by the Pd/Cu-catalyzed coupling of N,N-dialkyl-2-iodoanilines and terminal acetylenes, followed by electrophilic cyclization.

    PubMed

    Yue, Dawei; Yao, Tuanli; Larock, Richard C

    2006-01-06

    [reaction: see text] 3-Iodoindoles have been prepared in excellent yields by coupling terminal acetylenes with N,N-dialkyl-o-iodoanilines in the presence of a Pd/Cu catalyst, followed by an electrophilic cyclization of the resulting N,N-dialkyl-o-(1-alkynyl)anilines using I2 in CH2Cl2. Aryl-, vinylic-, alkyl-, and silyl-substituted terminal acetylenes undergo this process to produce excellent yields of 3-iodoindoles. The reactivity of the carbon-nitrogen bond cleavage during cyclization follows the following order: Me > n-Bu, Me > Ph, and cyclohexyl > Me. Subsequent palladium-catalyzed Sonogashira, Suzuki, and Heck reactions of the resulting 3-iodoindoles proceed smoothly in good yields.

  4. APPLICATION OF RADON REDUCTION METHODS

    EPA Science Inventory

    The document is intended to aid homeowners and contractors in diagnosing and solving indoor radon problems. It will also be useful to State and Federal regulatory officials and many other persons who provide advice on the selection, design and operation of radon reduction methods...

  5. Reactions of gas phase H atoms with ethylene, acetylene and ethane adsorbed on Ni( 1 1 1 )

    NASA Astrophysics Data System (ADS)

    Bürgi, T.; Trautman, T. R.; Gostein, M.; Lahr, D. L.; Haug, K. L.; Ceyer, S. T.

    2002-03-01

    The products of the reaction of the most energetic form of hydrogen, gas phase H atoms, with ethylene, acetylene and ethane adsorbed on a Ni(1 1 1) surface at 60 K are probed. Adsorbed ethylidyne (CCH 3) is identified by high resolution electron energy loss spectroscopy to be the major product (30% yield) in all three cases. Adsorbed acetylene is a minor product (3% yield) and arises as a consequence of a dynamic equilibrium between CCH 3 and C 2H 2 in the presence of gas phase H atoms. The observation of the same product for the reaction of H atoms with all three hydrocarbons implies that CCH 3 is the most stable C 2 species in the presence of coadsorbed hydrogen. The rates of CCH 3 production are measured as a function of the time of exposure of H atoms to each hydrocarbon. A simple kinetic model treating each reaction as a pseudo-first order reaction in the hydrocarbon coverage is fit to these data. A mechanism for the formation of CCH 3 via a CHCH 2 intermediate common to all three reactants is proposed to describe this model. The observed instability of the CH 2CH 3 species relative to C 2H 4 plays a role in the formulation of this mechanism as does the observed stability of CHCH 2 species in the presence of coadsorbed hydrogen. The CH 2CH 3 and the CHCH 2 species are produced by the translational activation of ethane and the dissociative ionization of ethane and ethylene, respectively. In addition, the binding energy and the vibrational spectrum of ethane adsorbed on Ni(1 1 1) are determined and exceptionally high resolution vibrational spectra of adsorbed ethylene and acetylene are presented.

  6. Al or Si decorated graphene-oxide: A promising material for capture and activation of ethylene and acetylene

    NASA Astrophysics Data System (ADS)

    Esrafili, Mehdi D.; Dinparast, Leila

    2018-06-01

    In this work, quantum chemical calculations are performed to compare adsorption behavior of ethylene and acetylene molecules over Al- or Si-decorated graphene oxide (Al/Si-GO). The corresponding adsorption energies, geometrical parameters and net charge-transfer values are calculated using the dispersion-corrected DFT calculations. The obtained large adsorption energies of the Al and Si atoms over GO suggest that both Al-GO and Si-GO are stable enough to be used as a stable substrate to capture and activate ethylene or acetylene. The results show that the adsorption of C2H4 or C2H2 on Al-GO is more favorable than over Si-GO surface, mainly due to the orbital interactions between the adsorbate and surface. Also, the DFT calculations reveal that the interaction of C2H2 with both surfaces is stronger than that of C2H4. Our findings are applicable for future theoretical and experimental studies about the interaction of hydrocarbons with light metal decorated graphene-based materials as well as heterogeneous catalysis.

  7. Method of making soluble polyacetylenic and polyaromatic polymers

    DOEpatents

    Aldissi, Mahmoud; Liepins, Raimond

    1985-01-01

    A soluble polyene polymer and a method of making the same are disclosed. The polymer is of the class suitable for doping to produce an electrically conductive polymer. The method is generally applicable to acetylenic and aromatic monomers, proven examples of which include acetylene, benzene, anthracene and napthalene. In accordance with the method, the monomer is dissolved in arsenic trifluoride. Arsenic pentafluoride is then introduced into the solution to induce polymerization by what is speculated to be an ionic polymerization reaction. The resulting polymer differs from other polyene polymers in that it is soluble in common organic solvents, and further in that it can be melted without undergoing decomposition, thereby rendering it particularly suitable for processing to form various polymeric articles.

  8. Methods for SBS Threshold Reduction

    DTIC Science & Technology

    1994-01-30

    We have investigated methods for reducing the threshold for stimulated Brillouin scattering (SBS) using a frequency-narrowed Cr,Tm,Ho:YAG laser...operating at 2.12 micrometers. The SBS medium was carbon disulfide. Single-focus SBS and threshold reduction by using two foci, a loop, and a ring have

  9. CO2-broadening and shift coefficients in the ν3 and ν2 + (ν4 +ν5)+0 bands of acetylene

    NASA Astrophysics Data System (ADS)

    Lyulin, O. M.; Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Perevalov, V. I.

    2018-03-01

    The absorption spectra of the mixture of C2H2 and CO2 at different partial pressures of both gases have been recorded at room temperature in the 3 μm region using the Bruker IFS 125 HR FTIR spectrometer. The multispectrum fitting procedure has been applied to these spectra to recover the broadening and shift parameters of the acetylene spectral lines. The CO2 broadening and pressure induced shift coefficients for 119 lines of the ν3 and ν2 + (ν4 +ν5)+0 bands of acetylene have been derived. The rotational dependence of the values of these coefficients is discussed. The comparison of the obtained coefficients to those published by other authors for the ν1 + ν3 and (ν4 +ν5)+0 bands is performed.

  10. ACETYLENE ON TITAN’S SURFACE

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

    Singh, S.; McCord, T. B.; Combe, J-Ph.

    2016-09-01

    Titan’s atmosphere is opaque in the near-infrared due to gaseous absorptions, mainly by methane, and scattering by aerosols, except in a few “transparency windows.” Thus, the composition of Titan’s surface remains difficult to access from space and is still poorly constrained. Photochemical models suggest that most of the organic compounds formed in the atmosphere are heavy enough to condense and build up at the surface in liquid and solid states over geological timescales. Acetylene (C{sub 2}H{sub 2}) net production in the atmosphere is predicted to be larger than any other compound and C{sub 2}H{sub 2} has been speculated to existmore » on the surface of Titan. C{sub 2}H{sub 2} was detected as a trace gas sublimated/evaporated from the surface using the Gas Chromatograph Mass Spectrometer after the landing of the Huygens probe. Here we show evidence of C{sub 2}H{sub 2} on the surface of Titan by detecting absorption bands at 1.55 and 4.93 μ m using the Cassini Visual and Infrared Mapping Spectrometer at three different equatorial areas—Tui Regio, eastern Shangri La, and Fensal–Aztlan/Quivira. We found that C{sub 2}H{sub 2} is preferentially detected in low-albedo areas, such as sand dunes and near the Huygens landing site. The specific location of the C{sub 2}H{sub 2} detections suggests that C{sub 2}H{sub 2} is mobilized by surface processes, such as surface weathering by liquids through dissolution/evaporation processes.« less

  11. Light-driven dinitrogen reduction catalyzed by a CdS:nitrogenase MoFe protein biohybrid.

    PubMed

    Brown, Katherine A; Harris, Derek F; Wilker, Molly B; Rasmussen, Andrew; Khadka, Nimesh; Hamby, Hayden; Keable, Stephen; Dukovic, Gordana; Peters, John W; Seefeldt, Lance C; King, Paul W

    2016-04-22

    The splitting of dinitrogen (N2) and reduction to ammonia (NH3) is a kinetically complex and energetically challenging multistep reaction. In the Haber-Bosch process, N2 reduction is accomplished at high temperature and pressure, whereas N2 fixation by the enzyme nitrogenase occurs under ambient conditions using chemical energy from adenosine 5'-triphosphate (ATP) hydrolysis. We show that cadmium sulfide (CdS) nanocrystals can be used to photosensitize the nitrogenase molybdenum-iron (MoFe) protein, where light harvesting replaces ATP hydrolysis to drive the enzymatic reduction of N2 into NH3 The turnover rate was 75 per minute, 63% of the ATP-coupled reaction rate for the nitrogenase complex under optimal conditions. Inhibitors of nitrogenase (i.e., acetylene, carbon monoxide, and dihydrogen) suppressed N2 reduction. The CdS:MoFe protein biohybrids provide a photochemical model for achieving light-driven N2 reduction to NH3. Copyright © 2016, American Association for the Advancement of Science.

  12. Light-driven dinitrogen reduction catalyzed by a CdS:nitrogenase MoFe protein biohybrid

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

    Brown, K. A.; Harris, D. F.; Wilker, M. B.

    The splitting of dinitrogen (N2) and reduction to ammonia (NH3) is a kinetically complex and energetically challenging multistep reaction. In the Haber-Bosch process, N2 reduction is accomplished at high temperature and pressure, whereas N2 fixation by the enzyme nitrogenase occurs under ambient conditions using chemical energy from adenosine 5'-triphosphate (ATP) hydrolysis. We show that cadmium sulfide (CdS) nanocrystals can be used to photosensitize the nitrogenase molybdenum-iron (MoFe) protein, where light harvesting replaces ATP hydrolysis to drive the enzymatic reduction of N2 into NH3. The turnover rate was 75 per minute, 63% of the ATP-coupled reaction rate for the nitrogenase complexmore » under optimal conditions. Inhibitors of nitrogenase (i.e., acetylene, carbon monoxide, and dihydrogen) suppressed N2 reduction. The CdS:MoFe protein biohybrids provide a photochemical model for achieving light-driven N2 reduction to NH3.« less

  13. An improved processible acetylene-terminated polyimide for composites

    NASA Technical Reports Server (NTRS)

    Landis, A. L.; Naselow, A. B.

    1985-01-01

    The newest member of a family of thermosetting acetylene-substituted polyimide oligomers is HR600P. This oligomer is the isoimide version of the oligomer known as HR600P and Thermid 600. Although both types of material yield the same heat resistant end products after cure, HR600P has much superior processing characteristics. This attributed to its lower melting temperature (160 + or - 10 C, 320 + or - 20 F) in contrast to 202 C (396 F) for Thermid MC-600, its longer gel time at its processing temperature (16 to 30 minutes bvs 3 minutes), and its excellent solubility in low boiling solvents such as tetrahydrofuran, glymes, or 4:1 methyl ethyl ketone/toluene mixtures. These advantages provide more acceptable coating and impregnation procedures, allow for more complete removal at lower temperatures, provide a longer pot life or working time, and allow composite structure fabrication in conventional autoclaves used for epoxy composite curing. The excellent processing characteristics of HR600P allow its use in large area laminated structures, structural composites, and molding compositions.

  14. Comparison of four different reduction methods for anterior dislocation of the shoulder.

    PubMed

    Guler, Olcay; Ekinci, Safak; Akyildiz, Faruk; Tirmik, Uzeyir; Cakmak, Selami; Ugras, Akin; Piskin, Ahmet; Mahirogullari, Mahir

    2015-05-28

    Shoulder dislocations account for almost 50% of all major joint dislocations and are mainly anterior. The aim is a comparative retrospective study of different reduction maneuvers without anesthesia to reduce the dislocated shoulder. Patients were treated with different reduction maneuvers, including various forms of traction and external rotation, in the emergency departments of four training hospitals between 2009 and 2012. Each of the four hospitals had different treatment protocols for reduction and applying one of four maneuvers: Spaso, Chair, Kocher, and Matsen methods. Thirty-nine patients were treated by the Spaso method, 47 by the Chair reduction method, 40 by the Kocher method, and 27 patients by Matsen's traction-countertraction method. All patients' demographic data were recorded. Dislocation number, reduction time, time interval between dislocation and reduction, and associated complications, pre- and post-reduction period, were recorded prospectively. No anesthetic method was used for the reduction. All of the methods used included traction and some external rotation. The Chair method had the shortest reduction time. All surgeons involved in the study agreed that the Kocher and Matsen methods needed more force for the reduction. Patients could contract their muscles because of the pain in these two methods. The Spaso method includes flexion of the shoulder and blocks muscle contraction somewhat. The Chair method was found to be the easiest because the patients could not contract their muscles while sitting on a chair with the affected arm at their side. We suggest that the Chair method is an effective and fast reduction maneuver that may be an alternative for the treatment of anterior shoulder dislocations. Further prospective studies with larger sample size are needed to compare safety of different reduction techniques.

  15. Frequency metrology of the acetylene lines near 789 nm from lamb-dip measurements

    NASA Astrophysics Data System (ADS)

    Tao, Lei-Gang; Hua, Tian-Peng; Sun, Yu R.; Wang, Jin; Liu, An-Wen; Hu, Shui-Ming

    2018-05-01

    Lamb-dips of the ro-vibrational lines of 12C2H2 near 789 nm were recorded using cavity ring-down saturation spectroscopy. Calibrated by an optical frequency comb, frequencies of 45 acetylene lines were determined with an accuracy of 1.1 ×10-7 cm-1 (δν / ν = 8 ×10-12), which is over two orders of magnitude more accurate than previous Doppler-limited studies. An averaged shift of about 0.01 cm-1 were found by comparing the upper energies obtained in this work to those recently presented by Chubb et al. from a MARVEL analysis.

  16. Forming a Two-Ring Polycyclic Aromatic Hydrocarbon without a Benzene Intermediate: the Reaction of Propargyl with Acetylene

    NASA Astrophysics Data System (ADS)

    Osborn, David; Savee, John; Selby, Talitha; Welz, Oliver; Taatjes, Craig

    The reaction of acetylene (HCCH) with a resonance-stabilized free radical is a commonly invoked mechanism for the generation of polycyclic aromatic hydrocarbons (PAH), which are likely precursors of soot particles in combustion. In this work, we examine the sequential addition of acetylene to the propargyl radical (H2CCCH) at temperatures of 800 and 1000 K. Using time-resolved multiplexed photoionization mass spectrometry with tunable ionizing radiation, we identified the isomeric forms of the C5H5 and C7H7 intermediates in this reaction sequence, and confirmed that the final C9H8 product is the two-ring aromatic compound indene. We identified two different resonance-stabilized C5H5 intermediates, with different temperature dependencies. Furthermore, the C7H7 intermediate is the tropyl radical (c-C7H7) , not the benzyl radical (C6H5CH2) , as is usually assumed in combustion environments. These experimental results are in general agreement with the latest electronic structure / master equation results of da Silva et al. This work shows a pathway for PAH formation that bypasses benzene / benzyl intermediates.

  17. The energy separation between the classical and nonclassical isomers of protonated acetylene - An extensive study in one- and n-particle space saturation

    NASA Technical Reports Server (NTRS)

    Lindh, Roland; Rice, Julia E.; Lee, Timothy J.

    1991-01-01

    The energy separation between the classical and nonclassical forms of protonated acetylene has been reinvestigated in light of the recent experimentally deduced lower bound to this value of 6.0 kcal/mol. The objective of the present study is to use state-of-the-art ab initio quantum mechanical methods to establish this energy difference to within chemical accuracy (i.e., about 1 kcal/mol). The one-particle basis sets include up to g-type functions and the electron correlation methods include single and double excitation coupled-cluster (CCSD), the CCSD(T) extension, multireference configuration interaction, and the averaged coupled-pair functional methods. A correction for zero-point vibrational energies has also been included, yielding a best estimate for the energy difference between the classical and nonclassical forms of 3.7 + or - 1.3 kcal/mol.

  18. Single metal catalysis: DFT and CAS modelling of species involved in the Fe cation assisted transformation of acetylene to benzene

    NASA Astrophysics Data System (ADS)

    Altun, Zikri; Bleda, Erdi; Trindle, Carl

    2017-09-01

    Gas phase conversion of acetylene to benzene, assisted by a single metal cation such as Fe(+), Ru(+) and Rh(+), offers an attractive prospect for application of computational modelling techniques to catalytic processes. Gas phase processes are not complicated by environmental effects and the participation of a single metal atom is a significant simplification. Still the process is complex, owing to the possibility of several low-energy spin states and the abundance of alternative structures. By density functional theory modelling using recently developed models with range and dispersion corrections, we locate and characterise a number of extreme points on the FeC6H6(+) surface, some of which have not been described previously. These include eta-1, eta-2 and eta-3 complexes of Fe(+) with the C4H4 ring. We identify new FeC6H6(+) structures as well, which may be landmarks for the Fe(+)-catalysed production of benzene from acetylene. The Fe(+) benzene complex is the most stable species on the FeC6H6 cation surface. With the abundant energy of complexation available in the isolated gas phase species, detachment of the Fe(+) and production of benzene can be efficient. We address the issue raised by other investigators whether multi-configurational self-consistent field methods are essential to the proper description of these systems. We find that the relative energy of intrinsically multi-determinant doublets is strongly affected, but judge that the density functional theory (DFT) description provides more accurate estimates of energetics and a more plausible reaction path.

  19. Morphology and phase identification of synthesized precipitated calcium carbonate from acetylene gas industry waste

    NASA Astrophysics Data System (ADS)

    Sabri, Siti Noorzidah Mohd; Othman, Rohaya; Othman, Anuar

    2017-12-01

    Precipitated calcium carbonate (PCC) is also known as synthetic calcium carbonate. In this paper, PCC was synthesized from carbide lime, which is the by-product from acetylene gas industry. The method used to produce PCC from carbide lime waste was ionic sucrose precipitation technique. The experiments were performed by varying the stirring rate. In this technique, carbide lime was first dissolved in ionic sucrose solution and then chilled at 10 °C for 24 hours before carbon dioxide gasses was introduced into the solution. The carbonation and precipitation process was took place and PCC was formed. The PCC was further filtered to obtain the solid PCC. The sample was then further characterised by using FESEM and XRD to determine the morphology and to identify the phase that exists in the synthesized compound respectively. The XRD and FESEM results clearly shown that the PCC obtained has mixed phases of calcite and vaterite, with mixtures of spherical and irregular shape morphologies formed. The irregular shapes corresponded to vaterite formation, meanwhile spherical shapes corresponded to calcite formation.

  20. Fast Reduction Method in Dominance-Based Information Systems

    NASA Astrophysics Data System (ADS)

    Li, Yan; Zhou, Qinghua; Wen, Yongchuan

    2018-01-01

    In real world applications, there are often some data with continuous values or preference-ordered values. Rough sets based on dominance relations can effectively deal with these kinds of data. Attribute reduction can be done in the framework of dominance-relation based approach to better extract decision rules. However, the computational cost of the dominance classes greatly affects the efficiency of attribute reduction and rule extraction. This paper presents an efficient method of computing dominance classes, and further compares it with traditional method with increasing attributes and samples. Experiments on UCI data sets show that the proposed algorithm obviously improves the efficiency of the traditional method, especially for large-scale data.

  1. Soluble polyacetylenic and polyaromatic polymers and method of mking the same

    DOEpatents

    Aldissi, M.; Liepins, R.

    1983-12-16

    A soluble polyene polymer and a method of making the same are disclosed. The polymer is of the class suitable for doping to produce an electrically conductive polymer. The method is generally applicable to acetylenic and aromatic monomers, proven examples of which include acetylene, benzene, anthracene and napthalene. In accordance with the method, the monomer is dissolved in arsenic trifluoride. Arsenic pentafluoride is then introduced into the solution to induce polymerization by what is speculated to be an ionic polymerization reaction. The resulting polymer differs from other polyene polymers in that it is soluble in common organic solvents, and further in that it can be melted without undergoing decomposition, thereby rendering it particularly suitable for processing to form various polymeric articles.

  2. Forest fuel reduction: Current methods and future possibilities

    Treesearch

    Chad Bolding; Bobby Lanford; Loren Kellogg

    2003-01-01

    Due to recent catastrophic wildfires, forest fuel reduction has become one of the most discussed topics in forest engineering research. Considerable money and resources are being spent in an attempt to seek answers for tough questions. Lack of information, especially concerning mechanical fuel reduction methods, has stemmed several studies. This paper compiles the...

  3. Heat of Combustion of the Product Formed by the Reaction of Acetylene, Ethylene, and Diborane

    NASA Technical Reports Server (NTRS)

    Tannenbaum, Stanley

    1957-01-01

    The net heat of combustion of the product formed by the reaction of diborane with a mixture of acetylene and ethylene was found to be 20,440 +/- 150 Btu per pound for the reaction of liquid fuel to gaseous carbon dioxide, gaseous water, and solid boric oxide. The measurements were made in a Parr oxygen-bomb calorimeter, and the combustion was believed to be 98 percent complete. The estimated net-heat of combustion for complete combustion would therefore be 20,850 +/- 150 Btu per pound.

  4. Soot Volume Fraction Maps for Normal and Reduced Gravity Laminar Acetylene Jet Diffusion Flames

    NASA Technical Reports Server (NTRS)

    Greenberg, Paul S.; Ku, Jerry C.

    1997-01-01

    The study of soot particulate distribution inside gas jet diffusion flames is important to the understanding of fundamental soot particle and thermal radiative transport processes, as well as providing findings relevant to spacecraft fire safety, soot emissions, and radiant heat loads for combustors used in air-breathing propulsion systems. Compared to those under normal gravity (1-g) conditions, the elimination of buoyancy-induced flows is expected to significantly change the flow field in microgravity (O g) flames, resulting in taller and wider flames with longer particle residence times. Work by Bahadori and Edelman demonstrate many previously unreported qualitative and semi-quantitative results, including flame shape and radiation, for sooting laminar zas jet diffusion flames. Work by Ku et al. report soot aggregate size and morphology analyses and data and model predictions of soot volume fraction maps for various gas jet diffusion flames. In this study, we present the first 1-g and 0-g comparisons of soot volume fraction maps for laminar acetylene and nitrogen-diluted acetylene jet diffusion flames. Volume fraction is one of the most useful properties in the study of sooting diffusion flames. The amount of radiation heat transfer depends directly on the volume fraction and this parameter can be measured from line-of-sight extinction measurements. Although most Soot aggregates are submicron in size, the primary particles (20 to 50 nm in diameter) are in the Rayleigh limit, so the extinction absorption) cross section of aggregates can be accurately approximated by the Rayleigh solution as a function of incident wavelength, particles' complex refractive index, and particles' volume fraction.

  5. Broad-band frequency references in the near-infrared: Accurate dual comb spectroscopy of methane and acetylene

    NASA Astrophysics Data System (ADS)

    Zolot, A. M.; Giorgetta, F. R.; Baumann, E.; Swann, W. C.; Coddington, I.; Newbury, N. R.

    2013-03-01

    The Doppler-limited spectra of methane between 176 THz and 184 THz (5870-6130 cm-1) and acetylene between 193 THz and 199 THz (6430-6630 cm-1) are acquired via comb-tooth resolved dual comb spectroscopy with frequency accuracy traceable to atomic standards. A least squares analysis of the measured absorbance and phase line shapes provides line center frequencies with absolute accuracy of 0.2 MHz, or less than one thousandth of the room temperature Doppler width. This accuracy is verified through comparison with previous saturated absorption spectroscopy of 37 strong isolated lines of acetylene. For the methane spectrum, the center frequencies of 46 well-isolated strong lines are determined with similar high accuracy, along with the center frequencies for 1107 non-isolated lines at lower accuracy. The measured methane line-center frequencies have an uncertainty comparable to the few available laser heterodyne measurements in this region but span a much larger optical bandwidth, marking the first broad-band measurements of the methane 2ν3 region directly referenced to atomic frequency standards. This study demonstrates the promise of dual comb spectroscopy to obtain high resolution broadband spectra that are comparable to state-of-the-art Fourier-transform spectrometer measurements but with much improved frequency accuracy.Work of the US government, not subject to US copyright.

  6. Sequential allylic substitution/Pauson-Khand reaction: a strategy to bicyclic fused cyclopentenones from MBH-acetates of acetylenic aldehydes.

    PubMed

    Raji Reddy, Chada; Kumaraswamy, Paridala; Singarapu, Kiran K

    2014-09-05

    An efficient approach for the construction of novel bicyclic fused cyclopentenones starting from Morita-Baylis-Hillman (MBH) acetates of acetylenic aldehydes with flexible scaffold diversity has been achieved using a two-step reaction sequence involving allylic substitution and the Pauson-Khand reaction. This strategy provided a facile access to various bicyclic cyclopentenones fused with either a carbocyclic or a heterocyclic ring system in good yield.

  7. Dissociative Excitation of Acetylene Induced by Electron Impact: Excitation-emission Cross-sections

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

    Országh, Juraj; Danko, Marián; Čechvala, Peter

    The optical emission spectrum of acetylene excited by monoenergetic electrons was studied in the range of 190–660 nm. The dissociative excitation and dissociative ionization associated with excitation of the ions initiated by electron impact were dominant processes contributing to the spectrum. The spectrum was dominated by the atomic lines (hydrogen Balmer series, carbon) and molecular bands (CH(A–X), CH(B–X), CH{sup +}(B–A), and C{sub 2}). Besides the discrete transitions, we have detected the continuum emission radiation of ethynyl radical C{sub 2}H(A–X). For most important lines and bands of the spectrum we have measured absolute excitation-emission cross sections and determined the energy thresholdsmore » of the particular dissociative channels.« less

  8. Selective Hydrogenation of Acetylene and Physicochemical Properties of Pd-Fe/Al2O3 Bimetallic Catalysts

    NASA Astrophysics Data System (ADS)

    Stytsenko, V. D.; Mel'nikov, D. P.; Tkachenko, O. P.; Savel'eva, E. V.; Semenov, A. P.; Kustov, L. M.

    2018-05-01

    The selective hydrogenation of acetylene on Pd-Fe/Al2O3 catalysts prepared by decomposition of ferrocene on reduced Pd/Al2O3 was studied. The effect of the conditions of treatment of the Pd-ferrocene/ Al2O3 precursor on the catalyst activity and selectivity was investigated, and the optimum conditions were determined at which the Pd-Fe/Al2O3 catalyst has higher selectivity than Pd/Al2O3 without any loss of activity.

  9. Infrared spectroscopy and Mie scattering of acetylene aerosols formed in a low temperature diffusion cell

    NASA Technical Reports Server (NTRS)

    Dunder, T.; Miller, R. E.

    1990-01-01

    A method is described for forming and spectroscopically characterizing cryogenic aerosols formed in a low temperature gas cell. By adjusting the cell pressure, gas composition and flow rate, the size distribution of aerosol particles can be varied over a wide range. The combination of pressure and flow rate determine the residence time of the aerosols in the cell and hence the time available for the particles to grow. FTIR spectroscopy, over the range from 600/cm to 6000/cm, is used to characterize the aerosols. The particle size distribution can be varied so that, at one extreme, the spectra show only absorption features associated with the infrared active vibrational bands and, at the other, they display both absorption and Mie scattering. In the latter case, Mie scattering theory is used to obtain semiquantitative aerosol size distributions, which can be understood in terms of the interplay between nucleation and condensation. In the case of acetylene aerosols, the infrared spectra suggest that the particles exist in the high temperature cubic phase of the solid.

  10. Speckle reduction methods in laser-based picture projectors

    NASA Astrophysics Data System (ADS)

    Akram, M. Nadeem; Chen, Xuyuan

    2016-02-01

    Laser sources have been promised for many years to be better light sources as compared to traditional lamps or light-emitting diodes (LEDs) for projectors, which enable projectors having wide colour gamut for vivid image, super brightness and high contrast for the best picture quality, long lifetime for maintain free operation, mercury free, and low power consumption for green environment. A major technology obstacle in using lasers for projection has been the speckle noise caused by to the coherent nature of the lasers. For speckle reduction, current state of the art solutions apply moving parts with large physical space demand. Solutions beyond the state of the art need to be developed such as integrated optical components, hybrid MOEMS devices, and active phase modulators for compact speckle reduction. In this article, major methods reported in the literature for the speckle reduction in laser projectors are presented and explained. With the advancement in semiconductor lasers with largely reduced cost for the red, green and the blue primary colours, and the developed methods for their speckle reduction, it is hoped that the lasers will be widely utilized in different projector applications in the near future.

  11. Infrared Spectra and Optical Constants of Astronomical Ices: I. Amorphous and Crystalline Acetylene

    NASA Technical Reports Server (NTRS)

    Hudson, R. L.; Ferrante, R. F.; Moore, M. H.

    2013-01-01

    Here we report recent measurements on acetylene (C2H2) ices at temperatures applicable to the outer Solar System and the interstellar medium. New near- and mid-infrared data, including optical constants (n, k), absorption coefficients (alpha), and absolute band strengths (A), are presented for both amorphous and crystalline phases of C2H2 that exist below 70 K. Comparisons are made to earlier work. Electronic versions of the data are made available, as is a computer routine to use our reported n and k values to simulate the observed IR spectra. Suggestions are given for the use of the data and a comparison to a spectrum of Makemake is made.

  12. Computational simulations of hydrogen circular migration in protonated acetylene induced by circularly polarized light

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

    Shi, Xuetao; Li, Wen; Schlegel, H. Bernhard, E-mail: hbs@chem.wayne.edu

    2016-08-28

    The hydrogens in protonated acetylene are very mobile and can easily migrate around the C{sub 2} core by moving between classical and non-classical structures of the cation. The lowest energy structure is the T-shaped, non-classical cation with a hydrogen bridging the two carbons. Conversion to the classical H{sub 2}CCH{sup +} ion requires only 4 kcal/mol. The effect of circularly polarized light on the migration of hydrogens in oriented C{sub 2}H{sub 3}{sup +} has been simulated by Born-Oppenheimer molecular dynamics. Classical trajectory calculations were carried out with the M062X/6-311+G(3df,2pd) level of theory using linearly and circularly polarized 32 cycle 7 μmmore » cosine squared pulses with peak intensity of 5.6 × 10{sup 13} W/cm{sup 2} and 3.15 × 10{sup 13} W/cm{sup 2}, respectively. These linearly and circularly polarized pulses transfer similar amounts of energy and total angular momentum to C{sub 2}H{sub 3}{sup +}. The average angular momentum vectors of the three hydrogens show opposite directions of rotation for right and left circularly polarized light, but no directional preference for linearly polarized light. This difference results in an appreciable amount of angular displacement of the three hydrogens relative to the C{sub 2} core for circularly polarized light, but only an insignificant amount for linearly polarized light. Over the course of the simulation with circularly polarized light, this corresponds to a propeller-like motion of the three hydrogens around the C{sub 2} core of protonated acetylene.« less

  13. Recommended acetylene line list in the 20-240 cm-1 and 400-630 cm-1 regions: New measurements and global modeling

    NASA Astrophysics Data System (ADS)

    Jacquemart, David; Lyulin, Oleg; Perevalov, Valery I.

    2017-12-01

    A new recommended 12C2H2 line list for the 13-248 cm-1 and 390-634 cm-1 regions is presented. It is based on the results of the global modeling of the line positions and intensities performed in Tomsk within the framework of the method of effective operators. To validate the Tomsk calculations new measurements of both line positions and intensities were performed using acetylene spectra recorded between 25 and 680 cm-1 with the AILES-A beamline of SOLEIL synchrotron. Line positions and intensities of 627 transitions belonging to 9 bands have been measured for the first time in this region. Using the results of these new measurements and the published results of the measurements in the 13-248 cm-1 and 390-634 cm-1 regions performed with the same facilities new fittings of the line intensities for the ΔP=0 and ΔP=1 series of transitions have been performed. Here P=5v1+3v2+5v3+v4+v5 is a polyad number, where v1, v2, v3, v4, and v5 are the principal quantum numbers of the acetylene harmonic oscillators. These new sets of the effective dipole moment parameters were used to generate the line list which contains the line positions and intensities of 39 and 29 bands, respectively for the ΔP=0 and ΔP=1 series of transitions. None of these bands is present in the HITRAN 2012 [8] and GEISA 2015 [9] databases. This paper presents the first part of a global work on the validation of Tomsk calculations.

  14. Just Click It: Undergraduate Procedures for the Copper(I)-Catalyzed Formation of 1,2,3-Triazoles from Azides and Terminal Acetylenes

    ERIC Educational Resources Information Center

    Sharpless, William D.; Peng Wu; Hansen, Trond Vidar; Lindberg, James G.

    2005-01-01

    The click chemistry uses only the most reliable reactions to build complex molecules from olefins, electrophiles and heteroatom linkers. A variation on Huisgen's azide-alkyne 1,2,3-triazole synthesis, the addition of the copper (I), the premium example of the click reaction, catalyst strongly activates terminal acetylenes towards the 1,3-dipole in…

  15. Analysis of Drag Reduction Methods and Mechanisms of Turbulent.

    PubMed

    Yunqing, Gu; Tao, Liu; Jiegang, Mu; Zhengzan, Shi; Peijian, Zhou

    2017-01-01

    Turbulent flow is a difficult issue in fluid dynamics, the rules of which have not been totally revealed up to now. Fluid in turbulent state will result in a greater frictional force, which must consume great energy. Therefore, it is not only an important influence in saving energy and improving energy utilization rate but also an extensive application prospect in many fields, such as ship domain and aerospace. Firstly, bionic drag reduction technology is reviewed and is a hot research issue now, the drag reduction mechanism of body surface structure is analyzed, such as sharks, earthworms, and dolphins. Besides, we make a thorough study of drag reduction characteristics and mechanisms of microgrooved surface and compliant wall. Then, the relevant drag reduction technologies and mechanisms are discussed, focusing on the microbubbles, the vibrant flexible wall, the coating, the polymer drag reduction additives, superhydrophobic surface, jet surface, traveling wave surface drag reduction, and the composite drag reduction methods. Finally, applications and advancements of the drag reduction technology in turbulence are prospected.

  16. Analysis of Drag Reduction Methods and Mechanisms of Turbulent

    PubMed Central

    Tao, Liu; Jiegang, Mu; Zhengzan, Shi; Peijian, Zhou

    2017-01-01

    Turbulent flow is a difficult issue in fluid dynamics, the rules of which have not been totally revealed up to now. Fluid in turbulent state will result in a greater frictional force, which must consume great energy. Therefore, it is not only an important influence in saving energy and improving energy utilization rate but also an extensive application prospect in many fields, such as ship domain and aerospace. Firstly, bionic drag reduction technology is reviewed and is a hot research issue now, the drag reduction mechanism of body surface structure is analyzed, such as sharks, earthworms, and dolphins. Besides, we make a thorough study of drag reduction characteristics and mechanisms of microgrooved surface and compliant wall. Then, the relevant drag reduction technologies and mechanisms are discussed, focusing on the microbubbles, the vibrant flexible wall, the coating, the polymer drag reduction additives, superhydrophobic surface, jet surface, traveling wave surface drag reduction, and the composite drag reduction methods. Finally, applications and advancements of the drag reduction technology in turbulence are prospected. PMID:29104425

  17. Automated variance reduction for MCNP using deterministic methods.

    PubMed

    Sweezy, J; Brown, F; Booth, T; Chiaramonte, J; Preeg, B

    2005-01-01

    In order to reduce the user's time and the computer time needed to solve deep penetration problems, an automated variance reduction capability has been developed for the MCNP Monte Carlo transport code. This new variance reduction capability developed for MCNP5 employs the PARTISN multigroup discrete ordinates code to generate mesh-based weight windows. The technique of using deterministic methods to generate importance maps has been widely used to increase the efficiency of deep penetration Monte Carlo calculations. The application of this method in MCNP uses the existing mesh-based weight window feature to translate the MCNP geometry into geometry suitable for PARTISN. The adjoint flux, which is calculated with PARTISN, is used to generate mesh-based weight windows for MCNP. Additionally, the MCNP source energy spectrum can be biased based on the adjoint energy spectrum at the source location. This method can also use angle-dependent weight windows.

  18. Quantum Chemical Evaluation of the Astrochemical Significance of Reactions between S Atom and Acetylene or Ethylene

    NASA Technical Reports Server (NTRS)

    Woon, David E.

    2007-01-01

    Addition-elimination reactions of S atom in its P-3 ground state with acetylene (C2H2) and ethylene (C2H4) were characterized with both molecular orbital and density functional theory calculations employing correlation consistent basis sets in order to assess the likelihood either reaction might play a general role in astrochemistry or a specific role in the formation of S2 (X (sup 3 SIGMA (sub g) (sup -)) via a mechanism proposed by Saxena and Misra (Mon. Not. R. Astron. Soc. 1995, 272, 89). The acetylene and ethylene reactions proceed through C2H2S ((sup 3)A")) and C2H4S ((sup 3)A")) intermediates, respectively, to yield HCCS ((sup 2)II)) and C2H3S ((sup 2)A')). Substantial barriers were found in the exit channels for every combination of method and basis set considered in this work, which effectively precludes hydrogen elimination pathways for both S + C2H2 and S + C2H4 in the ultracold interstellar medium where only very modest barriers can be surmounted and processes without barriers tend to predominate. However, if one or both intermediates is formed and stabilized efficiently under cometary or dense interstellar cloud conditions, they could serve as temporary reservoirs for S atom and participate in reactions such as S + C2H2S (right arrow) S2 = C2H2 or S + C2H4S (right arrow) S2 + C2H4. For formation and stabilization to be efficient, the reaction must possess a barrier height small enough to be surmountable at low temperatures yet large enough to prevent redissociation to reactants. Barrier heights computed with B3LYP and large basis sets are very low, but more rigorous QCISD(T) and RCCSD(T) results indicate that the barrier heights are closer to 3-4 kcal/mol. The calculations therefore indicate that S + C2H2 or S + C2H4 could contribute to the formation of S2 in comets and may serve as a means to gauge coma temperature. The energetics of the ethylene reaction are more favorable.

  19. Reductive methods for isotopic labeling of antibiotics

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

    Champney, W.S.

    1989-08-15

    Methods for the reductive methylation of the amino groups of eight different antibiotics using {sup 3}HCOH or H{sup 14}COH are presented. The reductive labeling of an additional seven antibiotics by NaB{sub 3}H{sub 4} is also described. The specific activity of the methyl-labeled drugs was determined by a phosphocellulose paper binding assay. Two quantitative assays for these compounds based on the reactivity of the antibiotic amino groups with fluorescamine and of the aldehyde and ketone groups with 2,4-dinitrophenylhydrazine are also presented. Data on the cellular uptake and ribosome binding of these labeled compounds are also presented.

  20. Systems and methods to reduce reductant consumption in exhaust aftertreament systems

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

    Gupta, Aniket; Cunningham, Michael J.

    Systems, apparatus and methods are provided for reducing reductant consumption in an exhaust aftertreatment system that includes a first SCR device and a downstream second SCR device, a first reductant injector upstream of the first SCR device, and a second reductant injector between the first and second SCR devices. NOx conversion occurs with reductant injection by the first reductant injector to the first SCR device in a first temperature range and with reductant injection by the second reductant injector to the second SCR device when the temperature of the first SCR device is above a reductant oxidation conversion threshold.

  1. Effects of specific inhibitors on anammox and denitrification in marine sediments.

    PubMed

    Jensen, Marlene Mark; Thamdrup, Bo; Dalsgaard, Tage

    2007-05-01

    The effects of three metabolic inhibitors (acetylene, methanol, and allylthiourea [ATU]) on the pathways of N2 production were investigated by using short anoxic incubations of marine sediment with a 15N isotope technique. Acetylene inhibited ammonium oxidation through the anammox pathway as the oxidation rate decreased exponentially with increasing acetylene concentration; the rate decay constant was 0.10+/-0.02 microM-1, and there was 95% inhibition at approximately 30 microM. Nitrous oxide reduction, the final step of denitrification, was not sensitive to acetylene concentrations below 10 microM. However, nitrous oxide reduction was inhibited by higher concentrations, and the sensitivity was approximately one-half the sensitivity of anammox (decay constant, 0.049+/-0.004 microM-1; 95% inhibition at approximately 70 microM). Methanol specifically inhibited anammox with a decay constant of 0.79+/-0.12 mM-1, and thus 3 to 4 mM methanol was required for nearly complete inhibition. This level of methanol stimulated denitrification by approximately 50%. ATU did not have marked effects on the rates of anammox and denitrification. The profile of inhibitor effects on anammox agreed with the results of studies of the process in wastewater bioreactors, which confirmed the similarity between the anammox bacteria in bioreactors and natural environments. Acetylene and methanol can be used to separate anammox and denitrification, but the effects of these compounds on nitrification limits their use in studies of these processes in systems where nitrification is an important source of nitrate. The observed differential effects of acetylene and methanol on anammox and denitrification support our current understanding of the two main pathways of N2 production in marine sediments and the use of 15N isotope methods for their quantification.

  2. Method development for the determination of fluorine in toothpaste via molecular absorption of aluminum mono fluoride using a high-resolution continuum source nitrous oxide/acetylene flame atomic absorption spectrophotometer.

    PubMed

    Ozbek, Nil; Akman, Suleyman

    2012-05-30

    Fluorine was determined via the rotational molecular absorption line of aluminum mono fluoride (AlF) generated in C(2)H(2)/N(2)O flame at 227.4613 nm using a high-resolution continuum source flame atomic absorption spectrophotometer (HR-CS-FAAS). The effects of AlF wavelength, burner height, fuel rate (C(2)H(2)/N(2)O) and amount of Al on the accuracy, precision and sensitivity were investigated and optimized. The Al-F absorption band at 227.4613 nm was found to be the most suitable analytical line with respect to sensitivity and spectral interferences. Maximum sensitivity and a good linearity were obtained in acetylene-nitrous oxide flame at a flow rate of 210 L h(-1) and a burner height of 8mm using 3000 mg L(-1) of Al for 10-1000 mg L(-1)of F. The accuracy and precision of the method were tested by analyzing spiked samples and waste water certified reference material. The results were in good agreement with the certified and spiked amounts as well as the precision of several days during this study was satisfactory (RSD<10%). The limit of detection and characteristic concentration of the method were 5.5 mg L(-1) and 72.8 mg L(-1), respectively. Finally, the fluorine concentrations in several toothpaste samples were determined. The results found and given by the producers were not significantly different. The method was simple, fast, accurate and sensitive. Copyright © 2012 Elsevier B.V. All rights reserved.

  3. NOx reduction methods and apparatuses

    DOEpatents

    Tonkyn, Russell G.; Barlow, Stephan E.; Balmer, M. Lou; Maupin, Gary D.

    2004-10-26

    A NO.sub.x reduction method includes treating a first gas containing NO.sub.x, producing a second gas containing NO.sub.2, reducing a portion of the NO.sub.2 in the second gas to N.sub.2, and producing a third gas containing less NO.sub.x than the first gas, substantially all of the third gas NO.sub.x being NO. The method also includes treating the third gas, producing a fourth gas containing NO.sub.2, reducing a portion of the NO.sub.2 in the fourth gas to N.sub.2, and producing a fifth gas containing less NO.sub.x than the third gas, substantially all of the fifth gas NO.sub.x being NO. Treating the first and/or third gas can include treatment with a plasma. Reducing a portion of the NO.sub.2 in the second and/or fourth gas can include reducing with a catalyst. The method can further include controlling energy consumption of the plasmas independent of each other.

  4. Identification of Acetylene on Titan's Surface

    NASA Astrophysics Data System (ADS)

    Singh, S.; McCord, T. B.; Rodriguez, S.; Combe, J. P.; Cornet, T.; Le Mouelic, S.; Maltagliati, L.; Chevrier, V.; Clark, R. N.

    2015-12-01

    Titan's atmosphere is opaque in the near infrared due to gaseous absorptions, mainly by methane, and scattering by aerosols, except in a few "transparency windows" (e.g., Sotin et al., 2005). Thus, the composition of Titan surface remains difficult to access from space and is still poorly constrained, limited to ethane in the polar lakes (Brown et al., 2008) and a few possible organic molecules on the surface (Clark et al., 2010). Photochemical models suggest that most of the organic compounds formed in the atmosphere are heavy enough to condense and build up at the surface in liquid and solid states over geological timescale (Cordier et al., 2009, 2011). Acetylene (C2H2) is one of the most abundant organic molecules in the atmosphere and thus thought to present on the surface as well. Here we report direct evidence of solid C2H2 on Titan's surface using Cassini Visual and Infrared Mapping Spectrometer (VIMS) data. By comparing VIMS observations and laboratory measurements of solid and liquid C2H2, we identify a specific absorption at 1.55 µm that is widespread over Titan but is particularly strong in the brightest terrains. This surface variability suggests that C2H2 is mobilized by surface processes, such as surface weathering, topography, and dissolution/evaporation. The detection of C2H2 on the surface of Titan opens new paths to understand and constrain Titan's surface activity. Since C2H2 is highly soluble in Titan liquids (Singh et al. 2015), it can easily dissolve in methane/ethane and may play an important role in carving of fluvial channels and existence of karstic lakes at higher latitudes on Titan. These processes imply the existence of a dynamic surface with a continued history of erosion and deposition of C2H2 on Titan.

  5. Photo- and heterotrophic nitrogenase activity by the cyano-bacterium Nostoc in symbiosis with the bryophyte Anthoceros

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

    Steinberg, N.A.; Meeks, J.C.

    1987-04-01

    In symbiosis with Anthoceros, Nostoc is thought to do little or no photosynthesis. However, light-dependent /sup 14/CO/sub 2/ fixation by symbiotic Nostoc, freshly isolated from pure cultures of the reconstituted Anthoceros-Nostoc association, was 16% of that by free-living Nostoc. A DCMU-resistant mutant of Nostoc was isolated that fixed CO/sub 2/ at rates comparable to wild-type in both symbiotic and free-living growth states. To determine if symbiotic Nostoc can use its photosynthate directly to fix nitrogen, acetylene reduction by Anthoceros associations reconstituted with wild-type Nostoc was compared to associations with the DCMU-resistant mutant. In wild-type Anthoceros-Nostoc acetylene reduction was inhibited 97%more » by 5 ..mu..M DCMU, while inhibition of the DCMU-resistant Nostoc association was only 63%. Additions of glucose, fructose, maltose or sucrose to wild-type associations completely restored DCMU-inhibited acetylene reduction in the light. Acetylene reduction in the dark was stimulated by glucose, attaining 84% of the uninhibited light-dependent value. The authors conclude that symbiotic Nostoc maintains a pool of photosynthate which supports nitrogenase activity. The pool can also be supplemented from plant sources.« less

  6. Heat of Combustion of the Product Formed by the Reaction of Acetylene and Diborane (LFPL-CZ-3)

    NASA Technical Reports Server (NTRS)

    Allen, Harrison, Jr.; Tannenbaum, Stanley

    1957-01-01

    The heat of combustion of the product formed by the reaction acetylene and diborane was found to be 20,100 +/- 100 Btu per pound for the reaction of liquid fuel to gaseous carbon dioxide, gaseous water, and solid boric oxide. The measurements were made in a Parr oxygen-bomb calorimeter, and chemical analyses both of the sample and of the combustion products indicated combustion in the bomb calorimeter to have been 97 percent complete. The estimated net heat of combustion for complete combustion would therefore be 20,700 +/- 100 Btu per pound.

  7. Vibration of carbon nanotubes with defects: order reduction methods

    NASA Astrophysics Data System (ADS)

    Hudson, Robert B.; Sinha, Alok

    2018-03-01

    Order reduction methods are widely used to reduce computational effort when calculating the impact of defects on the vibrational properties of nearly periodic structures in engineering applications, such as a gas-turbine bladed disc. However, despite obvious similarities these techniques have not yet been adapted for use in analysing atomic structures with inevitable defects. Two order reduction techniques, modal domain analysis and modified modal domain analysis, are successfully used in this paper to examine the changes in vibrational frequencies, mode shapes and mode localization caused by defects in carbon nanotubes. The defects considered are isotope defects and Stone-Wales defects, though the methods described can be extended to other defects.

  8. Simulation of multivariate stationary stochastic processes using dimension-reduction representation methods

    NASA Astrophysics Data System (ADS)

    Liu, Zhangjun; Liu, Zenghui; Peng, Yongbo

    2018-03-01

    In view of the Fourier-Stieltjes integral formula of multivariate stationary stochastic processes, a unified formulation accommodating spectral representation method (SRM) and proper orthogonal decomposition (POD) is deduced. By introducing random functions as constraints correlating the orthogonal random variables involved in the unified formulation, the dimension-reduction spectral representation method (DR-SRM) and the dimension-reduction proper orthogonal decomposition (DR-POD) are addressed. The proposed schemes are capable of representing the multivariate stationary stochastic process with a few elementary random variables, bypassing the challenges of high-dimensional random variables inherent in the conventional Monte Carlo methods. In order to accelerate the numerical simulation, the technique of Fast Fourier Transform (FFT) is integrated with the proposed schemes. For illustrative purposes, the simulation of horizontal wind velocity field along the deck of a large-span bridge is proceeded using the proposed methods containing 2 and 3 elementary random variables. Numerical simulation reveals the usefulness of the dimension-reduction representation methods.

  9. The staircase method: integrals for periodic reductions of integrable lattice equations

    NASA Astrophysics Data System (ADS)

    van der Kamp, Peter H.; Quispel, G. R. W.

    2010-11-01

    We show, in full generality, that the staircase method (Papageorgiou et al 1990 Phys. Lett. A 147 106-14, Quispel et al 1991 Physica A 173 243-66) provides integrals for mappings, and correspondences, obtained as traveling wave reductions of (systems of) integrable partial difference equations. We apply the staircase method to a variety of equations, including the Korteweg-De Vries equation, the five-point Bruschi-Calogero-Droghei equation, the quotient-difference (QD)-algorithm and the Boussinesq system. We show that, in all these cases, if the staircase method provides r integrals for an n-dimensional mapping, with 2r, then one can introduce q <= 2r variables, which reduce the dimension of the mapping from n to q. These dimension-reducing variables are obtained as joint invariants of k-symmetries of the mappings. Our results support the idea that often the staircase method provides sufficiently many integrals for the periodic reductions of integrable lattice equations to be completely integrable. We also study reductions on other quad-graphs than the regular {\\ Z}^2 lattice, and we prove linear growth of the multi-valuedness of iterates of high-dimensional correspondences obtained as reductions of the QD-algorithm.

  10. Nonlinear dimensionality reduction methods for synthetic biology biobricks' visualization.

    PubMed

    Yang, Jiaoyun; Wang, Haipeng; Ding, Huitong; An, Ning; Alterovitz, Gil

    2017-01-19

    Visualizing data by dimensionality reduction is an important strategy in Bioinformatics, which could help to discover hidden data properties and detect data quality issues, e.g. data noise, inappropriately labeled data, etc. As crowdsourcing-based synthetic biology databases face similar data quality issues, we propose to visualize biobricks to tackle them. However, existing dimensionality reduction methods could not be directly applied on biobricks datasets. Hereby, we use normalized edit distance to enhance dimensionality reduction methods, including Isomap and Laplacian Eigenmaps. By extracting biobricks from synthetic biology database Registry of Standard Biological Parts, six combinations of various types of biobricks are tested. The visualization graphs illustrate discriminated biobricks and inappropriately labeled biobricks. Clustering algorithm K-means is adopted to quantify the reduction results. The average clustering accuracy for Isomap and Laplacian Eigenmaps are 0.857 and 0.844, respectively. Besides, Laplacian Eigenmaps is 5 times faster than Isomap, and its visualization graph is more concentrated to discriminate biobricks. By combining normalized edit distance with Isomap and Laplacian Eigenmaps, synthetic biology biobircks are successfully visualized in two dimensional space. Various types of biobricks could be discriminated and inappropriately labeled biobricks could be determined, which could help to assess crowdsourcing-based synthetic biology databases' quality, and make biobricks selection.

  11. Laboratory studies, analysis, and interpretation of the spectra of hydrocarbons present in planetary atmospheres including cyanoacetylene, acetylene, propane, and ethane

    NASA Technical Reports Server (NTRS)

    Blass, William E.; Daunt, Stephen J.; Peters, Antoni V.; Weber, Mark C.

    1990-01-01

    Combining broadband Fourier transform spectrometers (FTS) from the McMath facility at NSO and from NRC in Ottawa and narrow band TDL data from the laboratories with computational physics techniques has produced a broad range of results for the study of planetary atmospheres. Motivation for the effort flows from the Voyager/IRIS observations and the needs of Voyager analysis for laboratory results. In addition, anticipation of the Cassini mission adds incentive to pursue studies of observed and potentially observable constituents of planetary atmospheres. Current studies include cyanoacetylene, acetylene, propane, and ethane. Particular attention is devoted to cyanoacetylen (H3CN) which is observed in the atmosphere of Titan. The results of a high resolution infrared laboratory study of the line positions of the 663, 449, and 22.5/cm fundamental bands are presented. Line position, reproducible to better than 5 MHz for the first two bands, are available for infrared astrophysical searches. Intensity and broadening studies are in progress. Acetylene is a nearly ubiquitous atmospheric constituent of the outer planets and Titan due to the nature of methane photochemistry. Results of ambient temperature absolute intensity measurements are presented for the fundamental and two two-quantum hotband in the 730/cm region. Low temperature hotband intensity and linewidth measurements are planned.

  12. Stability analysis of Caisson Cofferdam Based on Strength Reduction Method

    NASA Astrophysics Data System (ADS)

    Xu, B. B.; Zhang, N. S.

    2018-05-01

    The working mechanism of the caisson cofferdam depends on the self-weight of the structure and internal filling to ensure its skid resistance and overturn resistance stability. Using the strength reduction method, the safety factor of the caisson cofferdam can be obtained. The potential slide surface can be searched automatically without constraining the range of the arc center. According to the results, the slippage surface goes through the bottom of the caisson. Based on the judgement criterion of the strength reduction method, the final safety factor is about 1.65.

  13. Graphenes in the absence of metals as carbocatalysts for selective acetylene hydrogenation and alkene hydrogenation

    NASA Astrophysics Data System (ADS)

    Primo, Ana; Neatu, Florentina; Florea, Mihaela; Parvulescu, Vasile; Garcia, Hermenegildo

    2014-10-01

    Catalysis makes possible a chemical reaction by increasing the transformation rate. Hydrogenation of carbon-carbon multiple bonds is one of the most important examples of catalytic reactions. Currently, this type of reaction is carried out in petrochemistry at very large scale, using noble metals such as platinum and palladium or first row transition metals such as nickel. Catalysis is dominated by metals and in many cases by precious ones. Here we report that graphene (a single layer of one-atom-thick carbon atoms) can replace metals for hydrogenation of carbon-carbon multiple bonds. Besides alkene hydrogenation, we have shown that graphenes also exhibit high selectivity for the hydrogenation of acetylene in the presence of a large excess of ethylene.

  14. Infrared spectra of M-η2-C2H2 and HMsbnd CCH produced in reactions of laser-ablated Fe and Os atoms with acetylene

    NASA Astrophysics Data System (ADS)

    Cho, Han-Gook; Andrews, Lester

    2015-04-01

    The π- and Csbnd H insertion products (M-η2-C2H2 and HMsbnd CCH) are identified in the matrix infrared spectra from reactions of laser-ablated Fe and Os atoms with acetylene isotopomers, but the vinylidene product (H2CCM) is not, in contrast to the recently studied Ru case. The π-complex is produced in deposition and annealing, and it converts to the insertion complex during photolysis. While the vinylidene product is energetically comparable with the two primary products, the energy barrier is considerably higher in contrast to the Ru case. The relatively short Csbnd C bonds of the π-complexes indicate weak back-donations from the group 8 metals to the acetylene π∗ orbitals. The highly bent structure of HOssbnd CCH evidently originates from the high d contributions to the Csbnd Os and Ossbnd H bonds. The C2v structures of the vinylidene products arise from the p-d π bonding between C and M.

  15. Method to grow carbon thin films consisting entirely of diamond grains 3-5 nm in size and high-energy grain boundaries

    DOEpatents

    Carlisle, John A.; Auciello, Orlando; Birrell, James

    2006-10-31

    An ultrananocrystalline diamond (UNCD) having an average grain size between 3 and 5 nanometers (nm) with not more than about 8% by volume diamond having an average grain size larger than 10 nm. A method of manufacturing UNCD film is also disclosed in which a vapor of acetylene and hydrogen in an inert gas other than He wherein the volume ratio of acetylene to hydrogen is greater than 0.35 and less than 0.85, with the balance being an inert gas, is subjected to a suitable amount of energy to fragment at least some of the acetylene to form a UNCD film having an average grain size of 3 to 5 nm with not more than about 8% by volume diamond having an average grain size larger than 10 nm.

  16. High performance addition-type thermoplastics (ATTs) - Evidence for the formation of a Diels-Alder adduct in the reaction of an acetylene-terminated material and a bismaleimide

    NASA Technical Reports Server (NTRS)

    Pater, R. H.; Soucek, M. D.; Chang, A. C.; Partos, R. D.

    1991-01-01

    Recently, the concept and demonstration of a new versatile synthetic reaction for making a large number of high-performance addition-type thermoplastics (ATTs) were reported. The synthesis shows promise for providing polymers having an attractive combination of easy processability, good toughness, respectable high temperature mechanical performance, and excellent thermo-oxidative stability. The new chemistry involves the reaction of an acetylene-terminated material with a bismaleimide or benzoquinone. In order to clarify the reaction mechanism, model compound studies were undertaken in solutions as well as in the solid state. The reaction products were purified by flash chromatography and characterized by conventional analytical techniques including NMR, FT-IR, UV-visible, mass spectroscopy, and high pressure liquid chromatography. The results are presented of the model compound studies which strongly support the formation of a Diels-Alder adduct in the reaction of an acetylene-terminated compound and a bismaleimide or benzoquinone.

  17. High-order harmonic generation from highly excited states in acetylene

    NASA Astrophysics Data System (ADS)

    Mulholland, Peter; Dundas, Daniel

    2018-04-01

    High-order harmonic generation (HHG) from aligned acetylene molecules interacting with mid infra-red (IR), linearly polarized laser pulses is studied theoretically using a mixed quantum-classical approach in which the electrons are described using time-dependent density-functional theory while the ions are treated classically. We find that for molecules aligned perpendicular to the laser polarization axis, HHG arises from the highest-occupied molecular orbital (HOMO), while for molecules aligned along the laser polarization axis, HHG is dominated by the HOMO-1. In the parallel orientation we observe a double plateau with an inner plateau that is produced by ionization from and recombination back to an autoionizing state. Two pieces of evidence support this idea. First, by choosing a suitably tuned vacuum ultraviolet pump pulse that directly excites the autoionizing state we observe a dramatic enhancement of all harmonics in the inner plateau. Second, in certain circumstances, the position of the inner plateau cutoff does not agree with the classical three-step model. We show that this discrepancy can be understood in terms of a minimum in the dipole recombination matrix element from the continuum to the autoionizing state.

  18. Asymmetric Synthesis of Secondary and Tertiary Propargylic Alcohols by Umpolung of Acetylenic Sulfones and ortho-Sulfinyl Carbanions.

    PubMed

    Rodríguez, Ricardo I; Ramírez, Elsie; Yuste, Francisco; Sánchez-Obregón, Rubén; Alemán, José

    2018-02-16

    The generation of diastereomerically enriched secondary benzyl propargyl alcohols by the asymmetric addition of ortho-sulfinylbenzyl carbanions to sulfonylacetylene derivatives via formation of a Csp-Csp 3 bond is described. This reaction proceeds through an unusual α-attack (anti-Michael addition) of the ortho-sulfinylbenzyl carbanions, followed by elimination of the arylsulfonyl moiety. The scope of this alkynylation reaction is also discussed. Moreover, the development of a new approach for the synthesis of optically active tertiary benzylpropargyl alcohols is described, discussing the possible stereocourse of the reaction so as the influence of the ether 18-crown-6 and steric importance of acetylenic substituent.

  19. Titan haze: structure and properties of cyanoacetylene and cyanoacetylene-acetylene photopolymers

    NASA Technical Reports Server (NTRS)

    Clarke, D. W.; Ferris, J. P.

    1997-01-01

    The structure and morphological properties of polymers produced photochemically from the UV irradiation of cyanoacetylene and cyanoacetylene mixtures have been examined to evaluate their possible contribution to the haze layers found on Titan. A structural analysis of these polymers may contribute to our understanding of the data returned from the Huygens probe of the Cassini mission that will pass through the atmosphere of Titan in the year 2004. Infrared analysis, elemental analysis, and thermal methods (thermogravimetric analysis, thermolysis, pyrolysis) were used to examine structures of polycyanoacetylenes produced by irradiation of the gas phase HC3N at 185 and 254 nm. The resulting brown to black polymer, which exists as small particles, is believed to be a branched chain of conjugated carbon-carbon double bonds, which, on exposure to heat, cyclizes to form a graphitic structure. Similar methods of analysis were used to show that when HC3N is photolyzed in the presence of Titan's other atmospheric constituents (CH4, C2H6, C2H2, and CO), a copolymer is formed in which the added gases are incorporated as substituents on the polymer chain. Of special significance is the copolymer of HC3N and acetylene (C2H2). Even in experiments where C2H2 was absorbing nearly all of the incident photons, the ratio of C2H2 to HC3N found in the resulting polymer was only 2:1. Scanning electron microscopy was used to visually examine the polymer particles. While pure polyacetylene particles are amorphous spheres roughly 1 micrometer in diameter, polycyanoacetylenes appear to be strands of rough, solid particles slightly smaller in size. The copolymer of HC3N and C2H2 exhibits characteristics of both pure polymers. This is particularly important as pure polyacetylenes do not match the optical constants measured for Titan's atmospheric hazes. The copolymers produced by the incorporation of other minor atmospheric constituents, like HC3N, into the polyacetylenes are expected to have

  20. Levels of reduction in van Manen's phenomenological hermeneutic method: an empirical example.

    PubMed

    Heinonen, Kristiina

    2015-05-01

    To describe reduction as a method using van Manen's phenomenological hermeneutic research approach. Reduction involves several levels that can be distinguished for their methodological usefulness. Researchers can use reduction in different ways and dimensions for their methodological needs. A study of Finnish multiple-birth families in which open interviews (n=38) were conducted with public health nurses, family care workers and parents of twins. A systematic literature and knowledge review showed there were no articles on multiple-birth families that used van Manen's method. Discussion The phenomena of the 'lifeworlds' of multiple-birth families consist of three core essential themes as told by parents: 'a state of constant vigilance', 'ensuring that they can continue to cope' and 'opportunities to share with other people'. Reduction provides the opportunity to carry out in-depth phenomenological hermeneutic research and understand people's lives. It helps to keep research stages separate but also enables a consolidated view. Social care and healthcare professionals have to hear parents' voices better to comprehensively understand their situation; they need further tools and training to be able to empower parents of twins. This paper adds an empirical example to the discussion of phenomenology, hermeneutic study and reduction as a method. It opens up reduction for researchers to exploit.

  1. Stable Carbon Isotope Fractionation during Bacterial Acetylene Fermentation: Potential for Life Detection in Hydrocarbon-Rich Volatiles of Icy Planet(oid)s.

    PubMed

    Miller, Laurence G; Baesman, Shaun M; Oremland, Ronald S

    2015-11-01

    We report the first study of stable carbon isotope fractionation during microbial fermentation of acetylene (C2H2) in sediments, sediment enrichments, and bacterial cultures. Kinetic isotope effects (KIEs) averaged 3.7 ± 0.5‰ for slurries prepared with sediment collected at an intertidal mudflat in San Francisco Bay and 2.7 ± 0.2‰ for a pure culture of Pelobacter sp. isolated from these sediments. A similar KIE of 1.8 ± 0.7‰ was obtained for methanogenic enrichments derived from sediment collected at freshwater Searsville Lake, California. However, C2H2 uptake by a highly enriched mixed culture (strain SV7) obtained from Searsville Lake sediments resulted in a larger KIE of 9.0 ± 0.7‰. These are modest KIEs when compared with fractionation observed during oxidation of C1 compounds such as methane and methyl halides but are comparable to results obtained with other C2 compounds. These observations may be useful in distinguishing biologically active processes operating at distant locales in the Solar System where C2H2 is present. These locales include the surface of Saturn's largest moon Titan and the vaporous water- and hydrocarbon-rich jets emanating from Enceladus. Acetylene-Fermentation-Isotope fractionation-Enceladus-Life detection.

  2. Mixed models and reduction method for dynamic analysis of anisotropic shells

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Peters, J. M.

    1985-01-01

    A time-domain computational procedure is presented for predicting the dynamic response of laminated anisotropic shells. The two key elements of the procedure are: (1) use of mixed finite element models having independent interpolation (shape) functions for stress resultants and generalized displacements for the spatial discretization of the shell, with the stress resultants allowed to be discontinuous at interelement boundaries; and (2) use of a dynamic reduction method, with the global approximation vectors consisting of the static solution and an orthogonal set of Lanczos vectors. The dynamic reduction is accomplished by means of successive application of the finite element method and the classical Rayleigh-Ritz technique. The finite element method is first used to generate the global approximation vectors. Then the Rayleigh-Ritz technique is used to generate a reduced system of ordinary differential equations in the amplitudes of these modes. The temporal integration of the reduced differential equations is performed by using an explicit half-station central difference scheme (Leap-frog method). The effectiveness of the proposed procedure is demonstrated by means of a numerical example and its advantages over reduction methods used with the displacement formulation are discussed.

  3. A systematic way for the cost reduction of density fitting methods

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

    Kállay, Mihály, E-mail: kallay@mail.bme.hu

    2014-12-28

    We present a simple approach for the reduction of the size of auxiliary basis sets used in methods exploiting the density fitting (resolution of identity) approximation for electron repulsion integrals. Starting out of the singular value decomposition of three-center two-electron integrals, new auxiliary functions are constructed as linear combinations of the original fitting functions. The new functions, which we term natural auxiliary functions (NAFs), are analogous to the natural orbitals widely used for the cost reduction of correlation methods. The use of the NAF basis enables the systematic truncation of the fitting basis, and thereby potentially the reduction of themore » computational expenses of the methods, though the scaling with the system size is not altered. The performance of the new approach has been tested for several quantum chemical methods. It is demonstrated that the most pronounced gain in computational efficiency can be expected for iterative models which scale quadratically with the size of the fitting basis set, such as the direct random phase approximation. The approach also has the promise of accelerating local correlation methods, for which the processing of three-center Coulomb integrals is a bottleneck.« less

  4. Vapor-liquid equilibria for 1,1-difluoroethane + acetylene and 1,1-difluoroethane + 1,1-dichloroethane at 303.2 K and 323.2 K

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

    Lim, J.S.; Lee, Y.W.; Kim, J.D.

    1996-09-01

    Isothermal vapor-liquid equilibria for 1,1-difluoroethane (HFC-152a) + acetylene and 1,1-difluoroethane + 1,1-dichloroethane (HCC-150a) were measured in a circulation type apparatus at 303.2 K and 323.2 K. The experimental data were correlated with the Peng-Robinson equation of state using the Wong and Sandler mixing rule, and the relevant parameters are presented.

  5. A Fourier Method for Sidelobe Reduction in Equally Spaced Linear Arrays

    NASA Astrophysics Data System (ADS)

    Safaai-Jazi, Ahmad; Stutzman, Warren L.

    2018-04-01

    Uniformly excited, equally spaced linear arrays have a sidelobe level larger than -13.3 dB, which is too high for many applications. This limitation can be remedied by nonuniform excitation of array elements. We present an efficient method for sidelobe reduction in equally spaced linear arrays with low penalty on the directivity. The method involves the following steps: construction of a periodic function containing only the sidelobes of the uniformly excited array, calculation of the Fourier series of this periodic function, subtracting the series from the array factor of the original uniformly excited array after it is truncated, and finally mitigating the truncation effects which yields significant increase in sidelobe level reduction. A sidelobe reduction factor is incorporated into element currents that makes much larger sidelobe reductions possible and also allows varying the sidelobe level incrementally. It is shown that such newly formed arrays can provide sidelobe levels that are at least 22.7 dB below those of the uniformly excited arrays with the same size and number of elements. Analytical expressions for element currents are presented. Radiation characteristics of the sidelobe-reduced arrays introduced here are examined, and numerical results for directivity, sidelobe level, and half-power beam width are presented for example cases. Performance improvements over popular conventional array synthesis methods, such as Chebyshev and linear current tapered arrays, are obtained with the new method.

  6. Tabletop imaging of structural evolutions in chemical reactions demonstrated for the acetylene cation

    NASA Astrophysics Data System (ADS)

    Ibrahim, Heide; Wales, Benji; Beaulieu, Samuel; Schmidt, Bruno E.; Thiré, Nicolas; Fowe, Emmanuel P.; Bisson, Éric; Hebeisen, Christoph T.; Wanie, Vincent; Giguére, Mathieu; Kieffer, Jean-Claude; Spanner, Michael; Bandrauk, André D.; Sanderson, Joseph; Schuurman, Michael S.; Légaré, François

    2014-07-01

    The introduction of femto-chemistry has made it a primary goal to follow the nuclear and electronic evolution of a molecule in time and space as it undergoes a chemical reaction. Using Coulomb Explosion Imaging, we have shot the first high-resolution molecular movie of a to and fro isomerization process in the acetylene cation. So far, this kind of phenomenon could only be observed using vacuum ultraviolet light from a free-electron laser. Here we show that 266 nm ultrashort laser pulses are capable of initiating rich dynamics through multiphoton ionization. With our generally applicable tabletop approach that can be used for other small organic molecules, we have investigated two basic chemical reactions simultaneously: proton migration and C=C bond breaking, triggered by multiphoton ionization. The experimental results are in excellent agreement with the timescales and relaxation pathways predicted by new and quantitative ab initio trajectory simulations.

  7. Synthesis, structure and cytotoxic activity of acetylenic derivatives of betulonic and betulinic acids

    NASA Astrophysics Data System (ADS)

    Bębenek, Ewa; Chrobak, Elwira; Wietrzyk, Joanna; Kadela, Monika; Chrobak, Artur; Kusz, Joachim; Książek, Maria; Jastrzębska, Maria; Boryczka, Stanisław

    2016-02-01

    A series of acetylenic derivatives of betulonic and betulinic acids has been synthesized and characterized by 1H and 13C NMR, IR and MS spectroscopy. The structure of propargyl betulonate 4 and propargyl betulinate-DMF solvate 8A was solved by X-ray diffraction. Thermal properties were examined using a DSC technique. The resulting alkynyl derivatives, as well as betulin 1 and betulinic acid 3, were evaluated in vitro for their cytotoxic activity against human T47D breast cancer, CCRF/CEM leukemia, SW707 colorectal, murine P388 leukemia and BALB3T3 normal fibroblasts cell lines. Several of the obtained compounds have a favorable cytotoxic profile than betulin 1. Propargyl betulinate 8 was the most active derivative, being up to 3-fold more potent than betulin 1 against the human leukemia (CCRF/CEM) cell line, with an IC50 value of 3.9 μg/mL.

  8. A new route for the prebiotic synthesis of nucleobases and hydantoins in water/ice solutions involving the photochemistry of acetylene.

    PubMed

    Menor-Salván, César; Marín-Yaseli, Margarita R

    2013-05-10

    The origin of nucleobases and other heterocycles is a classic question in the chemistry of the origins of life. The construction of laboratory models for the abiotic synthesis of nitrogen heterocycles in plausible natural conditions also aids the understanding and prediction of chemical species in the Solar System. Here, we report a new explanation for the origin of hydantoins, purines, and pyrimidines in eutectic water/ice/urea solutions driven by ultraviolet irradiation (in the 185-254 nm range, UVC) of acetylene under anoxic conditions. An analysis of the products indicates the synthesis of hydantoin and 5-hydroxyhydantoin, the purines uric acid, xanthine, and guanine, and the pyrimidines uracil and cytosine. The synthesis occurred together with the photo-oxidation of bases in a complex process for which possible pathways are proposed. In conclusion, an acetylene-containing atmosphere could contribute to the origin of nucleobases in the presence of a urea/water system by an HCN-independent mechanism. The presence of ice has a dual role as a favorable medium for the synthesis of nucleobases and protection against degradation and as a source of free radicals for the synthesis of highly oxidized heterocycles. A mechanism for the origin of hydantoins and uracil from urea in plausible conditions for prebiotic chemistry is also proposed. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Model and controller reduction of large-scale structures based on projection methods

    NASA Astrophysics Data System (ADS)

    Gildin, Eduardo

    The design of low-order controllers for high-order plants is a challenging problem theoretically as well as from a computational point of view. Frequently, robust controller design techniques result in high-order controllers. It is then interesting to achieve reduced-order models and controllers while maintaining robustness properties. Controller designed for large structures based on models obtained by finite element techniques yield large state-space dimensions. In this case, problems related to storage, accuracy and computational speed may arise. Thus, model reduction methods capable of addressing controller reduction problems are of primary importance to allow the practical applicability of advanced controller design methods for high-order systems. A challenging large-scale control problem that has emerged recently is the protection of civil structures, such as high-rise buildings and long-span bridges, from dynamic loadings such as earthquakes, high wind, heavy traffic, and deliberate attacks. Even though significant effort has been spent in the application of control theory to the design of civil structures in order increase their safety and reliability, several challenging issues are open problems for real-time implementation. This dissertation addresses with the development of methodologies for controller reduction for real-time implementation in seismic protection of civil structures using projection methods. Three classes of schemes are analyzed for model and controller reduction: nodal truncation, singular value decomposition methods and Krylov-based methods. A family of benchmark problems for structural control are used as a framework for a comparative study of model and controller reduction techniques. It is shown that classical model and controller reduction techniques, such as balanced truncation, modal truncation and moment matching by Krylov techniques, yield reduced-order controllers that do not guarantee stability of the closed-loop system, that

  10. Influence of model order reduction methods on dynamical-optical simulations

    NASA Astrophysics Data System (ADS)

    Störkle, Johannes; Eberhard, Peter

    2017-04-01

    In this work, the influence of model order reduction (MOR) methods on optical aberrations is analyzed within a dynamical-optical simulation of a high precision optomechanical system. Therefore, an integrated modeling process and new methods have to be introduced for the computation and investigation of the overall dynamical-optical behavior. For instance, this optical system can be a telescope optic or a lithographic objective. In order to derive a simplified mechanical model for transient time simulations with low computational cost, the method of elastic multibody systems in combination with MOR methods can be used. For this, software tools and interfaces are defined and created. Furthermore, mechanical and optical simulation models are derived and implemented. With these, on the one hand, the mechanical sensitivity can be investigated for arbitrary external excitations and on the other hand, the related optical behavior can be predicted. In order to clarify these methods, academic examples are chosen and the influences of the MOR methods and simulation strategies are analyzed. Finally, the systems are investigated with respect to the mechanical-optical frequency responses, and in conclusion, some recommendations for the application of reduction methods are given.

  11. Review of noise reduction methods for centrifugal fans

    NASA Astrophysics Data System (ADS)

    Neise, W.

    1981-11-01

    Several methods for the reduction of centrifugal fan noise are presented, the most of which are aimed at a lower blade passage frequency level. The methods are grouped into five categories: casing modifications to increase the distance between impeller and cutoff, the introduction of a phase shift of the source pressure fluctuations, impeller modifications, radial clearance between impeller eye and inlet nozzle, and acoustical measures. Resonators mounted at the cutoff of centrifugal fans appear to be a highly efficient and simple means of reducing the blade passage tone, and the method can be used for new fan construction and existing installations without affecting the aerodynamic performance of the fan.

  12. Real-time speckle reduction in optical coherence tomography using the dual window method

    PubMed Central

    Zhao, Yang; Chu, Kengyeh K.; Eldridge, Will J.; Jelly, Evan T.; Crose, Michael; Wax, Adam

    2018-01-01

    Speckle is an intrinsic noise of interferometric signals which reduces contrast and degrades the quality of optical coherence tomography (OCT) images. Here, we present a frequency compounding speckle reduction technique using the dual window (DW) method. Using the DW method, speckle noise is reduced without the need to acquire multiple frames. A ~25% improvement in the contrast-to-noise ratio (CNR) was achieved using the DW speckle reduction method with only minimal loss (~17%) in axial resolution. We also demonstrate that real-time speckle reduction can be achieved at a B-scan rate of ~21 frames per second using a graphic processing unit (GPU). The DW speckle reduction technique can work on any existing OCT instrument without further system modification or extra components. This makes it applicable both in real-time imaging systems and during post-processing. PMID:29552398

  13. Real-time speckle reduction in optical coherence tomography using the dual window method.

    PubMed

    Zhao, Yang; Chu, Kengyeh K; Eldridge, Will J; Jelly, Evan T; Crose, Michael; Wax, Adam

    2018-02-01

    Speckle is an intrinsic noise of interferometric signals which reduces contrast and degrades the quality of optical coherence tomography (OCT) images. Here, we present a frequency compounding speckle reduction technique using the dual window (DW) method. Using the DW method, speckle noise is reduced without the need to acquire multiple frames. A ~25% improvement in the contrast-to-noise ratio (CNR) was achieved using the DW speckle reduction method with only minimal loss (~17%) in axial resolution. We also demonstrate that real-time speckle reduction can be achieved at a B-scan rate of ~21 frames per second using a graphic processing unit (GPU). The DW speckle reduction technique can work on any existing OCT instrument without further system modification or extra components. This makes it applicable both in real-time imaging systems and during post-processing.

  14. Apparatus and method to inject a reductant into an exhaust gas feedstream

    DOEpatents

    Viola, Michael B [Macomb Township, MI

    2009-09-22

    An exhaust aftertreatment system for an internal combustion engine is provided including an apparatus and method to inject a reductant into the exhaust gas feedstream. Included is a fuel metering device adapted to inject reductant into the exhaust gas feedstream and a controllable pressure regulating device. A control module is operatively connected to the reductant metering device and the controllable pressure regulating device, and, adapted to effect flow of reductant into the exhaust gas feedstream over a controllable flow range.

  15. Component model reduction via the projection and assembly method

    NASA Technical Reports Server (NTRS)

    Bernard, Douglas E.

    1989-01-01

    The problem of acquiring a simple but sufficiently accurate model of a dynamic system is made more difficult when the dynamic system of interest is a multibody system comprised of several components. A low order system model may be created by reducing the order of the component models and making use of various available multibody dynamics programs to assemble them into a system model. The difficulty is in choosing the reduced order component models to meet system level requirements. The projection and assembly method, proposed originally by Eke, solves this difficulty by forming the full order system model, performing model reduction at the the system level using system level requirements, and then projecting the desired modes onto the components for component level model reduction. The projection and assembly method is analyzed to show the conditions under which the desired modes are captured exactly; to the numerical precision of the algorithm.

  16. Analysis of Effluent Gases During the CCVD Growth of Multi Wall Carbon Nanotubes from Acetylene

    NASA Technical Reports Server (NTRS)

    Schmitt, T. C.; Biris, A. S.; Miller, D. W.; Biris, A. R.; Lupu, D.; Trigwell, S.; Rahman, Z. U.

    2005-01-01

    Catalytic chemical vapor deposition was used to grow multi-walled carbon nanotubes on a Fe:Co:CaCO3 catalyst from acetylene. The influent and effluent gases were analyzed by gas chromatography and mass spectrometry at different time intervals during the nanotubes growth process in order to better understand and optimize the overall reaction. A large number of byproducts were identified and it was found that the number and the level for some of the carbon byproducts significantly increased over time. The CaCO3 catalytic support thermally decomposed into CaO and CO2 resulting in a mixture of two catalysts for growing the nanotubes, which were found to have outer diameters belonging to two main groups 8 to 35 nm and 40 to 60 nm, respectively.

  17. NOx reduction by sulfur tolerant coronal-catalytic apparatus and method

    DOEpatents

    Mathur, V.K.; Breault, R.W.; McLarnon, C.R.; Medros, F.G.

    1993-08-31

    This invention presents an NO[sub x] environment effective reduction apparatus comprising a sulfur tolerant coronal-catalyst such as high dielectric coronal-catalysts like glass wool, ceramic-glass wool or zirconium glass wool and method of use. In one embodiment the invention comprises an NO[sub x] reduction apparatus of sulfur tolerant coronal-catalyst adapted and configured for hypercritical presentation to an NO[sub x] bearing gas stream at a minimum of at least about 75 watts/cubic meter.

  18. Methods of Model Reduction for Large-Scale Biological Systems: A Survey of Current Methods and Trends.

    PubMed

    Snowden, Thomas J; van der Graaf, Piet H; Tindall, Marcus J

    2017-07-01

    Complex models of biochemical reaction systems have become increasingly common in the systems biology literature. The complexity of such models can present a number of obstacles for their practical use, often making problems difficult to intuit or computationally intractable. Methods of model reduction can be employed to alleviate the issue of complexity by seeking to eliminate those portions of a reaction network that have little or no effect upon the outcomes of interest, hence yielding simplified systems that retain an accurate predictive capacity. This review paper seeks to provide a brief overview of a range of such methods and their application in the context of biochemical reaction network models. To achieve this, we provide a brief mathematical account of the main methods including timescale exploitation approaches, reduction via sensitivity analysis, optimisation methods, lumping, and singular value decomposition-based approaches. Methods are reviewed in the context of large-scale systems biology type models, and future areas of research are briefly discussed.

  19. Method of preparing copper-dendritic composite alloys for mechanical reduction

    DOEpatents

    Verhoeven, John D.; Gibson, Edwin D.; Schmidt, Frederick A.; Spitzig, William A.

    1988-01-01

    Copper-dendritic composite alloys are prepared for mechanical reduction to increase tensile strength by dispersing molten droplets of the composite alloy into an inert gas; solidifying the droplets in the form of minute spheres or platelets; and compacting a mass of the spheres or platelets into an integrated body. The spheres preferably have diameters of from 50 to 2000 .mu.m, and the platelets thicknesses of 100 to 2000 .mu.m. The resulting spheres or platelets will contain ultra-fine dendrites which produce higher strengths on mechanical reduction of the bodies formed therefrom, or comparable strengths at lower reduction values. The method is applicable to alloys of copper with vanadium, niobium, tantalum, chromium, molybdenum, tungsten, iron and cobalt.

  20. Acetylene and Ethylene Adsorption on a β-Mo 2C(100) Surface: A Periodic DFT Study on the Role of C- and Mo-Terminations for Bonding and Hydrogenation Reactions

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

    Jimenez-Orozco, Carlos; Florez, Elizabeth; Moreno, Andres

    Mo 2C catalysts are widely used in hydrogenation reactions; however, the role of the C and Mo terminations in these catalysts is not clear. Understanding the binding of adsorbates is key for explaining the activity of Mo 2C. The adsorption of acetylene and ethylene, probe molecules representing alkynes and olefins, respectively, was studied in this paper on a β-Mo 2C(100) surface with C and Mo terminations using calculations based on periodic density functional theory. Moreover, the role of the C/Mo molar ratio was investigated to compare the catalytic potential of cubic (δ-MoC) and orthorhombic (β-Mo 2C) surfaces. The geometry andmore » electronic properties of the clean δ-MoC(001) and β-Mo 2C(100) surfaces have a strong influence on the binding of unsaturated hydrocarbons. The adsorption of ethylene is weaker than that of acetylene on the surfaces of the cubic and orthorhombic systems; adsorption of the hydrocarbons was stronger on β-Mo 2C(100) than on δ-MoC(001). The C termination in β-Mo 2C(100) actively participates in both acetylene and ethylene adsorption and is not merely a spectator. Finally, the results of this work suggest that the β-Mo 2C(100)-C surface could be the one responsible for the catalytic activity during the hydrogenation of unsaturated C≡C and C=C bonds, while the Mo-terminated surface could be poisoned or transformed by the strong adsorption of C and CH x fragments.« less

  1. Acetylene and Ethylene Adsorption on a β-Mo 2C(100) Surface: A Periodic DFT Study on the Role of C- and Mo-Terminations for Bonding and Hydrogenation Reactions

    DOE PAGES

    Jimenez-Orozco, Carlos; Florez, Elizabeth; Moreno, Andres; ...

    2017-08-18

    Mo 2C catalysts are widely used in hydrogenation reactions; however, the role of the C and Mo terminations in these catalysts is not clear. Understanding the binding of adsorbates is key for explaining the activity of Mo 2C. The adsorption of acetylene and ethylene, probe molecules representing alkynes and olefins, respectively, was studied in this paper on a β-Mo 2C(100) surface with C and Mo terminations using calculations based on periodic density functional theory. Moreover, the role of the C/Mo molar ratio was investigated to compare the catalytic potential of cubic (δ-MoC) and orthorhombic (β-Mo 2C) surfaces. The geometry andmore » electronic properties of the clean δ-MoC(001) and β-Mo 2C(100) surfaces have a strong influence on the binding of unsaturated hydrocarbons. The adsorption of ethylene is weaker than that of acetylene on the surfaces of the cubic and orthorhombic systems; adsorption of the hydrocarbons was stronger on β-Mo 2C(100) than on δ-MoC(001). The C termination in β-Mo 2C(100) actively participates in both acetylene and ethylene adsorption and is not merely a spectator. Finally, the results of this work suggest that the β-Mo 2C(100)-C surface could be the one responsible for the catalytic activity during the hydrogenation of unsaturated C≡C and C=C bonds, while the Mo-terminated surface could be poisoned or transformed by the strong adsorption of C and CH x fragments.« less

  2. Pressure-induced polymerization of acetylene: Structure-directed stereoselectivity and a possible route to graphane

    DOE PAGES

    Sun, Jiangman; Dong, Xiao; Wang, Yajie; ...

    2017-05-02

    Geometric isomerism in polyacetylene is a basic concept in chemistry textbooks. Polymerization to cis-isomer is kinetically preferred at low temperature, not only in the classic catalytic reaction in solution but also, unexpectedly, in the crystalline phase when it is driven by external pressure without a catalyst. Until now, no perfect reaction route has been proposed for this pressure-induced polymerization. Using in situ neutron diffraction and meta-dynamic simulation, we discovered that under high pressure, acetylene molecules react along a specific crystallographic direction that is perpendicular to those previously proposed. Moreover, following this route produces a pure cis-isomer and more surprisingly, predictsmore » that graphane is the final product. Experimentally, polycyclic polymers with a layered structure were identified in the recovered product by solid-state nuclear magnetic resonance and neutron pair distribution functions, which indicates the possibility of synthesizing graphane under high pressure.« less

  3. Method of preparing copper-dendritic composite alloys for mechanical reduction

    DOEpatents

    Verhoeven, J.D.; Gibson, E.D.; Schmidt, F.A.; Spitzig, W.A.

    1988-09-13

    Copper-dendritic composite alloys are prepared for mechanical reduction to increase tensile strength by dispersing molten droplets of the composite alloy into an inert gas; solidifying the droplets in the form of minute spheres or platelets; and compacting a mass of the spheres or platelets into an integrated body. The spheres preferably have diameters of from 50 to 2,000 [mu]m, and the platelets thicknesses of 100 to 2,000 [mu]m. The resulting spheres or platelets will contain ultra-fine dendrites which produce higher strengths on mechanical reduction of the bodies formed therefrom, or comparable strengths at lower reduction values. The method is applicable to alloys of copper with vanadium, niobium, tantalum, chromium, molybdenum, tungsten, iron and cobalt. 3 figs.

  4. Method of carbonizing polyacrylonitrile fibers

    NASA Technical Reports Server (NTRS)

    Cagliostro, D. E.; Lerner, N. R. (Inventor)

    1983-01-01

    This invention relates to a method of carbonizing polyacrylonitrile fibers by exposing the fibers at an elevated temperature to an oxidizing atmosphere; then exposing the oxidized fibers to an atmosphere of an inert gas such as nitrogen containing a carbonaceous material such as acetylene. The fibers are preferably treated with an organic compound, for example benzoic acid, before the exposure to an oxidizing atmosphere. The invention also relates to the resulting fibers. The treated fibers have enhanced tensile strength.

  5. Measuring Reduction Methods for VR Sickness in Virtual Environments

    ERIC Educational Resources Information Center

    Magaki, Takurou; Vallance, Michael

    2017-01-01

    Recently, virtual reality (VR) technologies have developed remarkably. However, some users have negative symptoms during VR experiences or post-experiences. Consequently, alleviating VR sickness is a major challenge, but an effective reduction method has not yet been discovered. The purpose of this article is to compare and evaluate VR sickness in…

  6. Disposition and biotransformation of the acetylenic retinoid tazarotene in humans.

    PubMed

    Attar, Mayssa; Yu, Dale; Ni, Jinsong; Yu, Zhiling; Ling, Kah-Hiing John; Tang-Liu, Diane D-S

    2005-10-01

    Oral tazarotene, an acetylenic retinoid, is in clinical development for the treatment of psoriasis. The disposition and biotransformation of tazarotene were investigated in six healthy male volunteers, following a single oral administration of a 6 mg (100 microCi) dose of [14C]tazarotene, in a gelatin capsule. Blood levels of radioactivity peaked 2 h postdose and then rapidly declined. Total recovery of radioactivity was 89.2+/-8.0% of the administered dose, with 26.1+/-4.2% in urine and 63.0+/-7.0% in feces, within 7 days of dosing. Only tazarotenic acid, the principle active metabolite formed via esterase hydrolysis of tazarotene, was detected in blood. One major urinary oxidative metabolite, tazarotenic acid sulfoxide, accounted for 19.2+/-3.0% of the dose. The majority of radioactivity recovered in the feces was attributed to tazarotenic acid representing 46.9+/-9.9% of the dose and only 5.82+/-3.84% of dose was excreted as unchanged tazarotene. Thus following oral administration, tazarotene was rapidly absorbed and underwent extensive hydrolysis to tazarotenic acid, the major circulating species in the blood that was then excreted unchanged in feces. A smaller fraction of tazarotenic acid was further metabolized to an inactive sulfoxide that was excreted in the urine. Copyright (c) 2005 Wiley-Liss, Inc. and the American Pharmacists Association

  7. Highly stereoselective three-component reactions of phenylselenomagnesium bromide, acetylenic sulfones, and saturated aldehydes/ketones or alpha,beta-unsaturated enals or enones.

    PubMed

    Huang, Xian; Xie, Meihua

    2002-12-13

    beta-Phenylseleno-alpha-tolylsulfonyl-substituted alkenes were synthesized via the three-component conjugate-nucleophilic addition of acetylenic sulfones, phenylselenomagnesium bromide, and carbonyl compounds, such as aldehydes, aliphatic ketones, or alpha,beta-unsaturated enals or enones. The reaction is highly regio- and stereoselective with moderate to good yields. Functionalized allylic alcohols were obtained in the case of aldehydes and aliphatic ketones. In the case of alpha,beta-unsaturated enones, functionalized allylic alcohols or functionalized gamma,delta-unsaturated ketones were obtained, depending on the structures of the ketones.

  8. Atomistic mechanisms underlying selectivities in C 1 and C 2 products from electrochemical reduction of CO on Cu(111)

    DOE PAGES

    Xiao, Hai; Cheng, Tao; Goddard, III, William A.

    2016-12-07

    Practical environmental and energy applications of the electrochemical reduction of CO 2 to chemicals and fuels require far more efficient and selective electrocatalysts beyond the only working material Cu, but the wealth of experimental data on Cu can serve to validate any proposed mechanisms. To provide design guidelines, we use quantum mechanics to predict the detailed atomistic mechanisms responsible for C 1 and C 2 products on Cu. Thus, we report the pH dependent routes to the major products, methane and ethylene, and identify the key intermediates where branches to methanol, ketene, ethanol, acetylene, and ethane are kinetically blocked. Furthermore,more » we discovered that surface water on Cu plays a key role in the selectivity for hydrocarbon products over the oxygen-containing alcohol products by serving as a strong proton donor for electrochemical dehydration reductions. We suggest new experiments to validate our predicted mechanisms.« less

  9. Reactions of vanadium dioxide molecules with acetylene: infrared spectra of VO2(η(2)-C2H2)(x) (x = 1, 2) and OV(OH)CCH in solid neon.

    PubMed

    Zhou, Xiaojie; Chen, Mohua; Zhou, Mingfei

    2013-07-03

    Reactions of vanadium dioxide molecules with acetylene have been studied by matrix isolation infrared spectroscopy. Reaction intermediates and products are identified on the basis of isotopic substitutions as well as density functional frequency calculations. Ground state vanadium dioxide molecule reacts with acetylene in forming the side-on-bonded VO2(η(2)-C2H2) and VO2(η(2)-C2H2)2 complexes spontaneously on annealing in solid neon. The VO2(η(2)-C2H2) complex is characterized to have a (2)B2 ground state with C2v symmetry, whereas the VO2(η(2)-C2H2)2 complex has a (2)A ground state with C2 symmetry. The VO2(η(2)-C2H2) and VO2(η(2)-C2H2)2 complexes are photosensitive. The VO2(η(2)-C2H2) complex rearranges to the OV(OH)CCH molecule upon UV-vis light excitation.

  10. Microbial activity in aquatic environments measured by dimethyl sulfoxide reduction and intercomparison with commonly used methods.

    PubMed

    Griebler, C; Slezak, D

    2001-01-01

    A new method to determine microbial (bacterial and fungal) activity in various freshwater habitats is described. Based on microbial reduction of dimethyl sulfoxide (DMSO) to dimethyl sulfide (DMS), our DMSO reduction method allows measurement of the respiratory activity in interstitial water, as well as in the water column. DMSO is added to water samples at a concentration (0.75% [vol/vol] or 106 mM) high enough to compete with other naturally occurring electron acceptors, as determined with oxygen and nitrate, without stimulating or inhibiting microbial activity. Addition of NaN(3), KCN, and formaldehyde, as well as autoclaving, inhibited the production of DMS, which proves that the reduction of DMSO is a biotic process. DMSO reduction is readily detectable via the formation of DMS even at low microbial activities. All water samples showed significant DMSO reduction over several hours. Microbially reduced DMSO is recovered in the form of DMS from water samples by a purge and trap system and is quantified by gas chromatography and detection with a flame photometric detector. The DMSO reduction method was compared with other methods commonly used for assessment of microbial activity. DMSO reduction activity correlated well with bacterial production in predator-free batch cultures. Cell-production-specific DMSO reduction rates did not differ significantly in batch cultures with different nutrient regimes but were different in different growth phases. Overall, a cell-production-specific DMSO reduction rate of 1.26 x 10(-17) +/- 0. 12 x 10(-17) mol of DMS per produced cell (mean +/- standard error; R(2) = 0.78) was calculated. We suggest that the relationship of DMSO reduction rates to thymidine and leucine incorporation is linear (the R(2) values ranged from 0.783 to 0.944), whereas there is an exponential relationship between DMSO reduction rates and glucose uptake, as well as incorporation (the R(2) values ranged from 0.821 to 0.931). Based on our results, we

  11. Analysis for Mar Vel Black and acetylene soot low reflectivity surfaces for star tracker sunshade applications

    NASA Technical Reports Server (NTRS)

    Yung, E.

    1974-01-01

    Mar Vel Black is a revolutionary new extremely low reflectivity anodized coating developed by Martin Marietta of Denver. It is of great interest in optics in general, and in star trackers specifically because it can reduce extraneous light reflections. A sample of Mar Vel Black was evaluated. Mar Vel Black looks much like a super black surface with many small peaks and very steep sides so that any light incident upon the surface will tend to reflect many times before exiting that surface. Even a high reflectivity surface would thus appear to have a very low reflectivity under such conditions. Conversely, acetylene soot does not have the magnified surface appearance of a super black surface. Its performance is, however, predictable from the surface structure, considering the known configuration of virtually pure carbon.

  12. An indigenous method for closed reduction of pediatric mandibular parasymphysis fracture.

    PubMed

    Kumar, Naresh; Singh, Akhilesh Kumar; Pandey, Arun; Verma, Vishal

    2015-01-01

    Mandibular fractures in children are very rare as compared to adults due to protected anatomic features of child and less exposure to road traffic accidents. Management becomes complicated due to inherent dynamic nature, instability of mixed dentition and fear of surgery. Conservative management can be done with the help of acrylic cap splints along with circum-mandibular wiring, intermaxillary fixation with eyelet wires, arch wires or open reduction and internal fixation with bio-resorbable plates. Different methods have various pros and cons. The choice of anesthesia is also very crucial sometimes. This case report describes a new method of closed reduction with 18 gauge needle simulated as an arch bar performed under local anaesthesia.

  13. An indigenous method for closed reduction of pediatric mandibular parasymphysis fracture

    PubMed Central

    Kumar, Naresh; Singh, Akhilesh Kumar; Pandey, Arun; Verma, Vishal

    2015-01-01

    Mandibular fractures in children are very rare as compared to adults due to protected anatomic features of child and less exposure to road traffic accidents. Management becomes complicated due to inherent dynamic nature, instability of mixed dentition and fear of surgery. Conservative management can be done with the help of acrylic cap splints along with circum-mandibular wiring, intermaxillary fixation with eyelet wires, arch wires or open reduction and internal fixation with bio-resorbable plates. Different methods have various pros and cons. The choice of anesthesia is also very crucial sometimes. This case report describes a new method of closed reduction with 18 gauge needle simulated as an arch bar performed under local anaesthesia. PMID:27390498

  14. Pressure-Induced Polymerization of Acetylene: Structure-Directed Stereoselectivity and a Possible Route to Graphane.

    PubMed

    Sun, Jiangman; Dong, Xiao; Wang, Yajie; Li, Kuo; Zheng, Haiyan; Wang, Lijuan; Cody, George D; Tulk, Christopher A; Molaison, Jamie J; Lin, Xiaohuan; Meng, Yufei; Jin, Changqing; Mao, Ho-Kwang

    2017-06-01

    Geometric isomerism in polyacetylene is a basic concept in chemistry textbooks. Polymerization to cis-isomer is kinetically preferred at low temperature, not only in the classic catalytic reaction in solution but also, unexpectedly, in the crystalline phase when it is driven by external pressure without a catalyst. Until now, no perfect reaction route has been proposed for this pressure-induced polymerization. Using in situ neutron diffraction and meta-dynamic simulation, we discovered that under high pressure, acetylene molecules react along a specific crystallographic direction that is perpendicular to those previously proposed. Following this route produces a pure cis-isomer and more surprisingly, predicts that graphane is the final product. Experimentally, polycyclic polymers with a layered structure were identified in the recovered product by solid-state nuclear magnetic resonance and neutron pair distribution functions, which indicates the possibility of synthesizing graphane under high pressure. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. A New Method for the Reduction of Methemoglobin and Methemoglobin Derivatives

    DTIC Science & Technology

    1991-09-03

    preliminary report, Kajita et al. [11] published a method to regenerate oxyhemoglobin using phenazine methosulfate as the catalyst and NADH as the... phenazine methosulfate as a catalyst in the reduction of methemoglobin. We found the latter two to be quite inferior to FMN. The results obtained with... phenazine methosulfate as a catalyst for the reduction of Page 11 oxygen as well as methemoglobin are shown in Fig. 3. In the absence of light the

  16. Noise reduction methods for nucleic acid and macromolecule sequencing

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

    Schuller, Ivan K.; Di Ventra, Massimiliano; Balatsky, Alexander

    Methods, systems, and devices are disclosed for processing macromolecule sequencing data with substantial noise reduction. In one aspect, a method for reducing noise in a sequential measurement of a macromolecule comprising serial subunits includes cross-correlating multiple measured signals of a physical property of subunits of interest of the macromolecule, the multiple measured signals including the time data associated with the measurement of the signal, to remove or at least reduce signal noise that is not in the same frequency and in phase with the systematic signal contribution of the measured signals.

  17. Method to monitor HC-SCR catalyst NOx reduction performance for lean exhaust applications

    DOEpatents

    Viola, Michael B [Macomb Township, MI; Schmieg, Steven J [Troy, MI; Sloane, Thompson M [Oxford, MI; Hilden, David L [Shelby Township, MI; Mulawa, Patricia A [Clinton Township, MI; Lee, Jong H [Rochester Hills, MI; Cheng, Shi-Wai S [Troy, MI

    2012-05-29

    A method for initiating a regeneration mode in selective catalytic reduction device utilizing hydrocarbons as a reductant includes monitoring a temperature within the aftertreatment system, monitoring a fuel dosing rate to the selective catalytic reduction device, monitoring an initial conversion efficiency, selecting a determined equation to estimate changes in a conversion efficiency of the selective catalytic reduction device based upon the monitored temperature and the monitored fuel dosing rate, estimating changes in the conversion efficiency based upon the determined equation and the initial conversion efficiency, and initiating a regeneration mode for the selective catalytic reduction device based upon the estimated changes in conversion efficiency.

  18. Microbial Activity in Aquatic Environments Measured by Dimethyl Sulfoxide Reduction and Intercomparison with Commonly Used Methods

    PubMed Central

    Griebler, Christian; Slezak, Doris

    2001-01-01

    A new method to determine microbial (bacterial and fungal) activity in various freshwater habitats is described. Based on microbial reduction of dimethyl sulfoxide (DMSO) to dimethyl sulfide (DMS), our DMSO reduction method allows measurement of the respiratory activity in interstitial water, as well as in the water column. DMSO is added to water samples at a concentration (0.75% [vol/vol] or 106 mM) high enough to compete with other naturally occurring electron acceptors, as determined with oxygen and nitrate, without stimulating or inhibiting microbial activity. Addition of NaN3, KCN, and formaldehyde, as well as autoclaving, inhibited the production of DMS, which proves that the reduction of DMSO is a biotic process. DMSO reduction is readily detectable via the formation of DMS even at low microbial activities. All water samples showed significant DMSO reduction over several hours. Microbially reduced DMSO is recovered in the form of DMS from water samples by a purge and trap system and is quantified by gas chromatography and detection with a flame photometric detector. The DMSO reduction method was compared with other methods commonly used for assessment of microbial activity. DMSO reduction activity correlated well with bacterial production in predator-free batch cultures. Cell-production-specific DMSO reduction rates did not differ significantly in batch cultures with different nutrient regimes but were different in different growth phases. Overall, a cell-production-specific DMSO reduction rate of 1.26 × 10−17 ± 0.12 × 10−17 mol of DMS per produced cell (mean ± standard error; R2 = 0.78) was calculated. We suggest that the relationship of DMSO reduction rates to thymidine and leucine incorporation is linear (the R2 values ranged from 0.783 to 0.944), whereas there is an exponential relationship between DMSO reduction rates and glucose uptake, as well as incorporation (the R2 values ranged from 0.821 to 0.931). Based on our results, we conclude that

  19. Interference in acetylene intersystem crossing acts as the molecular analog of Young's double-slit experiment

    PubMed Central

    de Groot, Mattijs; Field, Robert W.; Buma, Wybren J.

    2009-01-01

    We report on an experimental approach that reveals crucial details of the composition of singlet-triplet mixed eigenstates in acetylene. Intersystem crossing in this prototypical polyatomic molecule embodies the mixing of the lowest excited singlet state (S1) with 3 triplet states (T1, T2, and T3). Using high-energy (157-nm) photons from an F2 laser to record excited-state photoelectron spectra, we have decomposed the mixed eigenstates into their S1, T3, T2, and T1 constituent parts. One example of the interpretive power that ensues from the selective sensitivity of the experiment to the individual electronic state characters is the discovery and examination of destructive interference between two doorway-mediated intersystem crossing pathways. This observation of an interference effect in nonradiative decay opens up possibilities for rational coherent control over molecular excited state dynamics. PMID:19179288

  20. Reduction of CO2 Emissions Due to Wind Energy - Methods and Issues in Estimating Operational Emission Reductions

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

    Holttinen, Hannele; Kiviluoma, Juha; McCann, John

    2015-10-05

    This paper presents ways of estimating CO2 reductions of wind power using different methodologies. Estimates based on historical data have more pitfalls in methodology than estimates based on dispatch simulations. Taking into account exchange of electricity with neighboring regions is challenging for all methods. Results for CO2 emission reductions are shown from several countries. Wind power will reduce emissions for about 0.3-0.4 MtCO2/MWh when replacing mainly gas and up to 0.7 MtCO2/MWh when replacing mainly coal powered generation. The paper focuses on CO2 emissions from power system operation phase, but long term impacts are shortly discussed.

  1. An Optimization Method for the Reduction of Propeller Unsteady Forces.

    DTIC Science & Technology

    1988-02-01

    unsteady forces and the determination of skew distribulee has been developed. The current method provides an efficient propeller design tool capable...62633N HM35 SF33321 DN305 123 11. TITLE (ft .WC*i=iW) An Optimization Method for the Reduction of Propeller Unsteady Forces 12. PERSONAL AUTHOR(S) T.S...of determining a variety of cubic or quadratic skew distributioms, subject to constraints, which minimize the unsteady forces produced by the various

  2. Method of reduction of nitroaromatics by enzymatic reaction with redox enzymes

    DOEpatents

    Shah, Manish M.

    2000-01-01

    A method for the controlled reduction of nitroaromatic compounds such as nitrobenzene and 2,4,6-trinitrotoluene by enzymatic reaction with redox enzymes, such as Oxyrase (Trademark of Oxyrase, Inc., Mansfield, Ohio).

  3. New Cogging Torque Reduction Methods for Permanent Magnet Machine

    NASA Astrophysics Data System (ADS)

    Bahrim, F. S.; Sulaiman, E.; Kumar, R.; Jusoh, L. I.

    2017-08-01

    Permanent magnet type motors (PMs) especially permanent magnet synchronous motor (PMSM) are expanding its limbs in industrial application system and widely used in various applications. The key features of this machine include high power and torque density, extending speed range, high efficiency, better dynamic performance and good flux-weakening capability. Nevertheless, high in cogging torque, which may cause noise and vibration, is one of the threat of the machine performance. Therefore, with the aid of 3-D finite element analysis (FEA) and simulation using JMAG Designer, this paper proposed new method for cogging torque reduction. Based on the simulation, methods of combining the skewing with radial pole pairing method and skewing with axial pole pairing method reduces the cogging torque effect up to 71.86% and 65.69% simultaneously.

  4. Method for simulating dose reduction in digital mammography using the Anscombe transformation

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

    Borges, Lucas R., E-mail: lucas.rodrigues.borges@usp.br; Oliveira, Helder C. R. de; Nunes, Polyana F.

    2016-06-15

    Purpose: This work proposes an accurate method for simulating dose reduction in digital mammography starting from a clinical image acquired with a standard dose. Methods: The method developed in this work consists of scaling a mammogram acquired at the standard radiation dose and adding signal-dependent noise. The algorithm accounts for specific issues relevant in digital mammography images, such as anisotropic noise, spatial variations in pixel gain, and the effect of dose reduction on the detective quantum efficiency. The scaling process takes into account the linearity of the system and the offset of the detector elements. The inserted noise is obtainedmore » by acquiring images of a flat-field phantom at the standard radiation dose and at the simulated dose. Using the Anscombe transformation, a relationship is created between the calculated noise mask and the scaled image, resulting in a clinical mammogram with the same noise and gray level characteristics as an image acquired at the lower-radiation dose. Results: The performance of the proposed algorithm was validated using real images acquired with an anthropomorphic breast phantom at four different doses, with five exposures for each dose and 256 nonoverlapping ROIs extracted from each image and with uniform images. The authors simulated lower-dose images and compared these with the real images. The authors evaluated the similarity between the normalized noise power spectrum (NNPS) and power spectrum (PS) of simulated images and real images acquired with the same dose. The maximum relative error was less than 2.5% for every ROI. The added noise was also evaluated by measuring the local variance in the real and simulated images. The relative average error for the local variance was smaller than 1%. Conclusions: A new method is proposed for simulating dose reduction in clinical mammograms. In this method, the dependency between image noise and image signal is addressed using a novel application of the

  5. Method for simulating dose reduction in digital mammography using the Anscombe transformation

    PubMed Central

    Borges, Lucas R.; de Oliveira, Helder C. R.; Nunes, Polyana F.; Bakic, Predrag R.; Maidment, Andrew D. A.; Vieira, Marcelo A. C.

    2016-01-01

    Purpose: This work proposes an accurate method for simulating dose reduction in digital mammography starting from a clinical image acquired with a standard dose. Methods: The method developed in this work consists of scaling a mammogram acquired at the standard radiation dose and adding signal-dependent noise. The algorithm accounts for specific issues relevant in digital mammography images, such as anisotropic noise, spatial variations in pixel gain, and the effect of dose reduction on the detective quantum efficiency. The scaling process takes into account the linearity of the system and the offset of the detector elements. The inserted noise is obtained by acquiring images of a flat-field phantom at the standard radiation dose and at the simulated dose. Using the Anscombe transformation, a relationship is created between the calculated noise mask and the scaled image, resulting in a clinical mammogram with the same noise and gray level characteristics as an image acquired at the lower-radiation dose. Results: The performance of the proposed algorithm was validated using real images acquired with an anthropomorphic breast phantom at four different doses, with five exposures for each dose and 256 nonoverlapping ROIs extracted from each image and with uniform images. The authors simulated lower-dose images and compared these with the real images. The authors evaluated the similarity between the normalized noise power spectrum (NNPS) and power spectrum (PS) of simulated images and real images acquired with the same dose. The maximum relative error was less than 2.5% for every ROI. The added noise was also evaluated by measuring the local variance in the real and simulated images. The relative average error for the local variance was smaller than 1%. Conclusions: A new method is proposed for simulating dose reduction in clinical mammograms. In this method, the dependency between image noise and image signal is addressed using a novel application of the Anscombe

  6. Does Marcus-Hush theory really work Optical studies of intervalence transfer in acetylene-bridged biferrocene monocation at infinite dilution and at finite ionic strengths

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

    Blackbourn, R.L.; Hupp, J.T.

    1990-03-08

    Intervalence charge-transfer data for acetylene-bridged biferrocene monocation (Bf{sup +}) have been collected in five solvents in the presence and absence of excess electrolyte and in the limit of infinite chromophore dilution. The study was motivated by earlier work which demonstrated that the intervalence absorption maximum for Bf{sup +} in methylene chloride could vary substantially with both chromophore concentration and added electrolyte concentration. In the present study similar (but smaller) variations are found in other solvents.

  7. Iterative methods for dose reduction and image enhancement in tomography

    DOEpatents

    Miao, Jianwei; Fahimian, Benjamin Pooya

    2012-09-18

    A system and method for creating a three dimensional cross sectional image of an object by the reconstruction of its projections that have been iteratively refined through modification in object space and Fourier space is disclosed. The invention provides systems and methods for use with any tomographic imaging system that reconstructs an object from its projections. In one embodiment, the invention presents a method to eliminate interpolations present in conventional tomography. The method has been experimentally shown to provide higher resolution and improved image quality parameters over existing approaches. A primary benefit of the method is radiation dose reduction since the invention can produce an image of a desired quality with a fewer number projections than seen with conventional methods.

  8. Recent Line-Shape and Doppler Thermometry Studies Involving Transitions in the ν1 +ν3 Band of Acetylene

    NASA Astrophysics Data System (ADS)

    Hashemi, Robab; Rozario, Hoimonti; Povey, Chad; Garber, Jolene; Derksen, Mark; Predoi-Cross, Adriana

    2014-06-01

    The line positions for transitions in the ν1 +ν3 band are often used as a frequency standard by the telecom industry and also needed for planetary atmospheric studies. Four relevant studies have been recently carried out in our group and will be discussed briefly below. (1) N2-broadened line widths and N2-pressure induced line shifts have been measured for transitions in the ν1 +ν3 band of acetylene at seven temperatures in the range 213333K to obtain the temperature dependences of broadening and shift coefficients. The Voigt and hard-collision line profile models were used to retrieve the line parameters. This study has been published in Molecular Physics, 110 Issue 21/22 (2012) 2645-2663. (2) Six nitrogen perturbed transitions of acetylene within the ν1 +ν3 absorption band have been recorded using a 3-channel diode laser spectrometer. We have examined C2H2 spectra using a hard collision (Rautian) profile over a range of five temperatures (213 K-333 K). From these fits we have obtained the N2-broadening and narrowing coefficients of C2H2 and examined their temperature dependence. The experimentally measured narrowing coefficients have been used to estimate the nitrogen diffusion coefficients. The broadening coefficients and corresponding temperature dependence exponents have also been compared to that of calculations completed using a classical impact approach on an ab initio potential energy surface. We have observed a good agreement between our theoretical and experimental results. This study was published in Canadian Journal of Physics 91(11) 896-905 (2013). (3) An extension of the previous study was to analyze the room temperature for the same six transitions using the Voigt, Rautian, Galatry, RautianGalatry and Correlated Rautian profiles. For the entire pressure range, we have tested the applicability of these line-shape models. Except for Voigt profile, Dicke narrowing effect has been considered in all mentioned line-shape models. The experimental

  9. Method for the preparation of novel polyacetylene-type polymers

    DOEpatents

    Zeigler, John M.

    1989-01-01

    Polymerization of acetylenic monomers is achieved by using a catalyst which is the reaction product of a tungsten compound and a reducing agent effective to reduce W(VI) to W(III) and/or IV), e.g., WCl.sub.6.(organo-Li, organo-Mg or polysilane). The resultant silylated polymers are of heretofore unachievable high molecular weight and can be used as precursors to a wide variety of new acetylenic polymers by application of substitution reactions.

  10. Selective hydrogenation of phenol to cyclohexanone over Pd@CN (N-doped porous carbon): Role of catalyst reduction method

    NASA Astrophysics Data System (ADS)

    Hu, Shuo; Yang, Guangxin; Jiang, Hong; Liu, Yefei; Chen, Rizhi

    2018-03-01

    Selective phenol hydrogenation is a green and sustainable technology to produce cyclohexanone. The work focused on investigating the role of catalyst reduction method in the liquid-phase phenol hydrogenation to cyclohexanone over Pd@CN (N-doped porous carbon). A series of reduction methods including flowing hydrogen reduction, in-situ reaction reduction and liquid-phase reduction were designed and performed. The results highlighted that the reduction method significantly affected the catalytic performance of Pd@CN in the liquid-phase hydrogenation of phenol to cyclohexanone, and the liquid-phase reduction with the addition of appropriate amount of phenol was highly efficient to improve the catalytic activity of Pd@CN. The influence mechanism was explored by a series of characterizations. The results of TEM, XPS and CO chemisorption confirmed that the reduction method mainly affected the size, surface composition and dispersion of Pd in the CN material. The addition of phenol during the liquid-phase reduction could inhibit the aggregation of Pd NPs and promote the reduction of Pd (2+), and then improved the catalytic activity of Pd@CN. The work would aid the development of high-performance Pd@CN catalysts for selective phenol hydrogenation.

  11. An adaptive band selection method for dimension reduction of hyper-spectral remote sensing image

    NASA Astrophysics Data System (ADS)

    Yu, Zhijie; Yu, Hui; Wang, Chen-sheng

    2014-11-01

    Hyper-spectral remote sensing data can be acquired by imaging the same area with multiple wavelengths, and it normally consists of hundreds of band-images. Hyper-spectral images can not only provide spatial information but also high resolution spectral information, and it has been widely used in environment monitoring, mineral investigation and military reconnaissance. However, because of the corresponding large data volume, it is very difficult to transmit and store Hyper-spectral images. Hyper-spectral image dimensional reduction technique is desired to resolve this problem. Because of the High relation and high redundancy of the hyper-spectral bands, it is very feasible that applying the dimensional reduction method to compress the data volume. This paper proposed a novel band selection-based dimension reduction method which can adaptively select the bands which contain more information and details. The proposed method is based on the principal component analysis (PCA), and then computes the index corresponding to every band. The indexes obtained are then ranked in order of magnitude from large to small. Based on the threshold, system can adaptively and reasonably select the bands. The proposed method can overcome the shortcomings induced by transform-based dimension reduction method and prevent the original spectral information from being lost. The performance of the proposed method has been validated by implementing several experiments. The experimental results show that the proposed algorithm can reduce the dimensions of hyper-spectral image with little information loss by adaptively selecting the band images.

  12. N-(3-ethynylphenyl)maleimide

    NASA Technical Reports Server (NTRS)

    Hergenrother, Paul M. (Inventor); Connell, John W. (Inventor); Havens, Stephen J. (Inventor)

    1990-01-01

    Acetylene terminated aspartimides are prepared using two methods. In the first, an amino-substituted aromatic acetylene is reacted with an aromatic bismaleimide in a solvent of glacial acetic acid and/or m-cresol. In the second method, an aromatic diamine is reacted with an ethynyl containing maleimide, such as N-(3-ethynylphenyl) maleimide, in a solvent of glacial acetic acid and/or m-cresol. In addition, acetylene terminated aspartimides are blended with various acetylene terminated oligomers and polymers to yield composite materials exhibiting improved mechanical properties.

  13. Synthesis, characterization, and reactivity of the first uranium metallocene 1,2 bis(diphenylphosphino)acetylene complexes.

    DOE PAGES

    Pagano, Justin Kane; Scott, Brian Lindley; Kiplinger, Jaqueline Loetsch

    2018-06-09

    Two new uranium metallacyclopropenes, (C 5Me 4R) 2U(η 2-Ph 2PC=CPPh 2) (R = Me, Et) were prepared by reducing the corresponding (C 5Me 4R) 2UCl 2 complexes with KC 8 in the presence of 1,2-bis(diphenylphosphino)acetylene (Ph 2P–C≡C–PPh 2). Both compounds were fully characterized by a combination of elemental analysis and multinuclear NMR, UV–visible–NIR, and IR spectroscopies. Differences in the electronic spectra of these novel compounds and the known (C 5Me 5) 2U(η 2-Me 3SiC=CSiMe 3) are discussed. Finally, also presented is the solid-state structure of (C 5Me 4Et) 2U(η 2-Ph 2PC=CPPh 2), which reveals significant distortions of the coordinated 1,2-bis(diphenylphosphino)acetylenemore » (Ph 2P–C≡C–PPh 2) ligand.« less

  14. Synthesis, characterization, and reactivity of the first uranium metallocene 1,2 bis(diphenylphosphino)acetylene complexes.

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

    Pagano, Justin Kane; Scott, Brian Lindley; Kiplinger, Jaqueline Loetsch

    Two new uranium metallacyclopropenes, (C 5Me 4R) 2U(η 2-Ph 2PC=CPPh 2) (R = Me, Et) were prepared by reducing the corresponding (C 5Me 4R) 2UCl 2 complexes with KC 8 in the presence of 1,2-bis(diphenylphosphino)acetylene (Ph 2P–C≡C–PPh 2). Both compounds were fully characterized by a combination of elemental analysis and multinuclear NMR, UV–visible–NIR, and IR spectroscopies. Differences in the electronic spectra of these novel compounds and the known (C 5Me 5) 2U(η 2-Me 3SiC=CSiMe 3) are discussed. Finally, also presented is the solid-state structure of (C 5Me 4Et) 2U(η 2-Ph 2PC=CPPh 2), which reveals significant distortions of the coordinated 1,2-bis(diphenylphosphino)acetylenemore » (Ph 2P–C≡C–PPh 2) ligand.« less

  15. Histrionicotoxins: Roentgen-Ray Analysis of the Novel Allenic and Acetylenic Spiroalkaloids Isolated from a Colombian Frog, Dendrobates histrionicus

    PubMed Central

    Daly, John W.; Karle, Isabella; Myers, Charles W.; Tokuyama, Takashi; Waters, James A.; Witkop, Bernhard

    1971-01-01

    The structures and absolute configuration of two unique alkaloids isolated from the Colombian frog, Dendrobates histrionicus, have been elucidated by Roentgen-ray (x-ray) crystallography. Histrionicotoxin is (2pR, 6S, 7pS, 8aS)-7-(cis-1-buten-3-ynyl)-8-hydroxy-2-(cis-2-penten-4- ynyl)-1-azaspiro[5.5] undecane, while in dihydro-isohistrionicotoxin the acetylenic 2-pentenynyl side chain is replaced by an allenic 2-(3,4 pentadienyl) substituent. Dendrobates histrionicus exhibits remarkable interpopulational variations in amounts and composition of skin toxins, in behavior, and in phenotypic characters, aspects of which are illustrated in a color plate. The histrionico-toxins are the third class of alkaloids isolated from the defensive skin secretions of Neotropical (Dendrobatidae) frogs. Images PMID:5288773

  16. A review on the multivariate statistical methods for dimensional reduction studies

    NASA Astrophysics Data System (ADS)

    Aik, Lim Eng; Kiang, Lam Chee; Mohamed, Zulkifley Bin; Hong, Tan Wei

    2017-05-01

    In this research study we have discussed multivariate statistical methods for dimensional reduction, which has been done by various researchers. The reduction of dimensionality is valuable to accelerate algorithm progression, as well as really may offer assistance with the last grouping/clustering precision. A lot of boisterous or even flawed info information regularly prompts a not exactly alluring algorithm progression. Expelling un-useful or dis-instructive information segments may for sure help the algorithm discover more broad grouping locales and principles and generally speaking accomplish better exhibitions on new data set.

  17. Transition dipole-moment of the ν1 +ν3 band of acetylene measured with dual-comb Fourier-transform spectroscopy

    NASA Astrophysics Data System (ADS)

    Okubo, Sho; Iwakuni, Kana; Yamada, Koichi M. T.; Inaba, Hajime; Onae, Atsushi; Hong, Feng-Lei; Sasada, Hiroyuki

    2017-11-01

    The ν1 +ν3 vibration band of acetylene (C2H2) in the near infrared region was recorded with a dual-comb Fourier-transform spectrometer. We observed 56 transitions from P (26) to R (29) at six different column densities. The integral line intensity was determined for each recorded absorption line by fitting the line profile to Lambert-Beer's law with a Voigt function. Thanks to the outstanding capability of dual-comb spectroscopy to cover a broad spectrum in a relatively short time with high resolution and high frequency precision, we determined the reliable line strength for each ro-vibrational transition as well as the transition dipole moment for this band.

  18. Engine-propeller power plant aircraft community noise reduction key methods

    NASA Astrophysics Data System (ADS)

    Moshkov P., A.; Samokhin V., F.; Yakovlev A., A.

    2018-04-01

    Basic methods of aircraft-type flying vehicle engine-propeller power plant noise reduction were considered including single different-structure-and-arrangement propellers and piston engines. On the basis of a semiempirical model the expressions for blade diameter and number effect evaluation upon propeller noise tone components under thrust constancy condition were proposed. Acoustic tests performed at Moscow Aviation institute airfield on the whole qualitatively proved the obtained ratios. As an example of noise and detectability reduction provision a design-and-experimental estimation of propeller diameter effect upon unmanned aircraft audibility boundaries was performed. Future investigation ways were stated to solve a low-noise power plant design problem for light aircraft and unmanned aerial vehicles.

  19. Method for simulating dose reduction in digital mammography using the Anscombe transformation.

    PubMed

    Borges, Lucas R; Oliveira, Helder C R de; Nunes, Polyana F; Bakic, Predrag R; Maidment, Andrew D A; Vieira, Marcelo A C

    2016-06-01

    This work proposes an accurate method for simulating dose reduction in digital mammography starting from a clinical image acquired with a standard dose. The method developed in this work consists of scaling a mammogram acquired at the standard radiation dose and adding signal-dependent noise. The algorithm accounts for specific issues relevant in digital mammography images, such as anisotropic noise, spatial variations in pixel gain, and the effect of dose reduction on the detective quantum efficiency. The scaling process takes into account the linearity of the system and the offset of the detector elements. The inserted noise is obtained by acquiring images of a flat-field phantom at the standard radiation dose and at the simulated dose. Using the Anscombe transformation, a relationship is created between the calculated noise mask and the scaled image, resulting in a clinical mammogram with the same noise and gray level characteristics as an image acquired at the lower-radiation dose. The performance of the proposed algorithm was validated using real images acquired with an anthropomorphic breast phantom at four different doses, with five exposures for each dose and 256 nonoverlapping ROIs extracted from each image and with uniform images. The authors simulated lower-dose images and compared these with the real images. The authors evaluated the similarity between the normalized noise power spectrum (NNPS) and power spectrum (PS) of simulated images and real images acquired with the same dose. The maximum relative error was less than 2.5% for every ROI. The added noise was also evaluated by measuring the local variance in the real and simulated images. The relative average error for the local variance was smaller than 1%. A new method is proposed for simulating dose reduction in clinical mammograms. In this method, the dependency between image noise and image signal is addressed using a novel application of the Anscombe transformation. NNPS, PS, and local noise

  20. Method for the preparation of novel polyacetylene-type polymers

    DOEpatents

    Zeigler, J.M.

    1987-11-09

    Polymerization of acetylenic monomers is achieved by using a catalyst which is the reaction product of a tungsten compound and a reducing agent effective to reduce W(VI) to W(III and/or IV), e.g., WCl/sub 6//center dot/(organo-Li, organo-Mg or polysilane). The resultant silylated polymers are of heretofore unachievable high molecular weight and can be used as precursors to a wide variety of new acetylenic polymers by application of substitution reactions. 1 tab.

  1. Dissimilatory nitrate reduction to nitrate, nitrous oxide, and ammonium by Pseudomonas putrefaciens.

    PubMed

    Samuelsson, M O

    1985-10-01

    The influence of redox potential on dissimilatory nitrate reduction to ammonium was investigated on a marine bacterium, Pseudomonas putrefaciens. Nitrate was consumed (3.1 mmol liter-1), and ammonium was produced in cultures with glucose and without sodium thioglycolate. When sodium thioglycolate was added, nitrate was consumed at a lower rate (1.1 mmol liter-1), and no significant amounts of nitrite or ammonium were produced. No growth was detected in glucose media either with or without sodium thioglycolate. When grown on tryptic soy broth, the production of nitrous oxide paralleled growth. In the same medium, but with sodium thioglycolate, nitrous oxide was first produced during growth and then consumed. Acetylene caused the nitrous oxide to accumulate. These results and the mass balance calculations for different nitrogen components indicate that P. putrefaciens has the capacity to dissimilate nitrate to ammonium as well as to dinitrogen gas and nitrous oxide (denitrification). The dissimilatory pathway to ammonium dominates except when sodium thioglycolate is added to the medium.

  2. Vertical Patellar Dislocation: Reduction by the Push Up and Rotate Method, A Case Report and Literature Review.

    PubMed

    Ahmad Khan, Hayat; Bashir Shah, Adil; Kamal, Younis

    2016-11-01

    Patellar dislocation is an emergency. Vertical patellar dislocation is rare, often seen in adolescents and mostly due to sports injuries or high-velocity trauma. Few cases have been reported in the literature. Closed or open reduction under general anesthesia is often needed. We report a case of vertical locked patellar dislocation in a 26-year-old male, which was reduced by a simple closed method under spinal anaesthesia. A literature review regarding the various methods of treatment is also discussed. A 26-year-old male experienced a trivial accident while descending stairs, sustaining patellar dislocation. The closed method of reduction was attempted, using a simple technique. Reduction was confirmed and postoperative rehabilitation was started. Follow-up was uneventful. Vertical patellar dislocations are encountered rarely in the emergency department. Adolescents are not the only victims, and high-velocity trauma is not the essential cause. Unnecessary manipulation should be avoided. The closed reduction method is simple, but the surgeon should be prepared for open reduction.

  3. NO.sub.x reduction by sulfur tolerant coronal-catalytic apparatus and method

    DOEpatents

    Mathur, Virendra K.; Breault, Ronald W.; McLarnon, Christopher R.; Medros, Frank G.

    1993-01-01

    This invention presents an NO.sub.x environment effective reduction apparatus comprising a sulfur tolerant coronal-catalyst such as high dielectric coronal-catalysts like glass wool, ceramic-glass wool or zirconium glass wool and method of use. In one embodiment the invention comprises an NO.sub.x reduction apparatus of sulfur tolerant coronal-catalyst adapted and configured for hypercritical presentation to an NO.sub.x bearing gas stream at a minimum of at least about 75 watts/cubic meter.

  4. NO.sub.x reduction by sulfur tolerant coronal-catalytic apparatus and method

    DOEpatents

    Mathur, Virendra K.; Breault, Ronald W.; McLarnon, Christopher R.; Medros, Frank G.

    1992-01-01

    This invention presents an NO.sub.x environment effective reduction apparatus comprising a sulfur tolerant coronal-catalyst such as high dielectric coronal-catalysts like glass wool, ceramic-glass wool or zirconium glass wool and method of use. In one embodiment the invention comprises an NO.sub.x reduction apparatus of sulfur tolerant coronal-catalyst adapted and configured for hypercritical presentation to an NO.sub.x bearing gas stream at a minimum of at least about 75 watts/cubic meter.

  5. The JCMT Gould Belt Survey: a quantitative comparison between SCUBA-2 data reduction methods

    NASA Astrophysics Data System (ADS)

    Mairs, S.; Johnstone, D.; Kirk, H.; Graves, S.; Buckle, J.; Beaulieu, S. F.; Berry, D. S.; Broekhoven-Fiene, H.; Currie, M. J.; Fich, M.; Hatchell, J.; Jenness, T.; Mottram, J. C.; Nutter, D.; Pattle, K.; Pineda, J. E.; Salji, C.; di Francesco, J.; Hogerheijde, M. R.; Ward-Thompson, D.; JCMT Gould Belt survey Team

    2015-12-01

    Performing ground-based submillimetre observations is a difficult task as the measurements are subject to absorption and emission from water vapour in the Earth's atmosphere and time variation in weather and instrument stability. Removing these features and other artefacts from the data is a vital process which affects the characteristics of the recovered astronomical structure we seek to study. In this paper, we explore two data reduction methods for data taken with the Submillimetre Common-User Bolometer Array-2 (SCUBA-2) at the James Clerk Maxwell Telescope (JCMT). The JCMT Legacy Reduction 1 (JCMT LR1) and The Gould Belt Legacy Survey Legacy Release 1 (GBS LR1) reduction both use the same software (STARLINK) but differ in their choice of data reduction parameters. We find that the JCMT LR1 reduction is suitable for determining whether or not compact emission is present in a given region and the GBS LR1 reduction is tuned in a robust way to uncover more extended emission, which better serves more in-depth physical analyses of star-forming regions. Using the GBS LR1 method, we find that compact sources are recovered well, even at a peak brightness of only three times the noise, whereas the reconstruction of larger objects requires much care when drawing boundaries around the expected astronomical signal in the data reduction process. Incorrect boundaries can lead to false structure identification or it can cause structure to be missed. In the JCMT LR1 reduction, the extent of the true structure of objects larger than a point source is never fully recovered.

  6. Complexation and Structure Elucidation of the Axial Conformers of Mono- and (±)-trans-1,2-Disubstituted Cyclohexanes by Enantiopure Alleno-Acetylenic Cage Receptors.

    PubMed

    Gropp, Cornelius; Trapp, Nils

    2018-04-25

    Single crystal X-ray diffraction is a powerful method to unambiguously characterize the structure of molecules with atomic resolution. Herein, we review the molecular recognition of the (di)axial conformers of Mono- and (±)-trans-1,2-disubstituted cyclohexanes by enantiopure alleno-acetylenic cage receptors in solution and in the solid state. Single crystals of the host-guest complexes suitable for X-ray diffraction allow for the first time to study the dihedral angles of a series of Mono- and (±)-trans-1,2-disubstituted cyclohexanes in their (di)axial chair conformation. Theoretical studies indicate negligible influence of the host structure on the guest conformation, suggesting that the structural information obtained from the host-guest complexes give insight into the innate structures of Mono- and (±)-trans-1,2-disubstituted cyclohexanes. Strong deviation of the dihedral angles a,a(X-C(1)-C(2)-X) from the idealized 180° are observed, accompanied by substantial flattening of the ring dihedral angles ρ(X-C(1)-C(2)-C(3)).

  7. NO[sub x] reduction by sulfur tolerant coronal-catalytic apparatus and method

    DOEpatents

    Mathur, V.K.; Breault, R.W.; McLarnon, C.R.; Medros, F.G.

    1992-09-15

    This invention presents an NO[sub x] environment effective reduction apparatus comprising a sulfur tolerant coronal-catalyst such as high dielectric coronal-catalysts like glass wool, ceramic-glass wool or zirconium glass wool and method of use. In one embodiment the invention comprises an NO[sub x] reduction apparatus of sulfur tolerant coronal-catalyst adapted and configured for hypercritical presentation to an NO[sub x] bearing gas stream at a minimum of at least about 75 watts/cubic meter. 7 figs.

  8. Nakagami-based total variation method for speckle reduction in thyroid ultrasound images.

    PubMed

    Koundal, Deepika; Gupta, Savita; Singh, Sukhwinder

    2016-02-01

    A good statistical model is necessary for the reduction in speckle noise. The Nakagami model is more general than the Rayleigh distribution for statistical modeling of speckle in ultrasound images. In this article, the Nakagami-based noise removal method is presented to enhance thyroid ultrasound images and to improve clinical diagnosis. The statistics of log-compressed image are derived from the Nakagami distribution following a maximum a posteriori estimation framework. The minimization problem is solved by optimizing an augmented Lagrange and Chambolle's projection method. The proposed method is evaluated on both artificial speckle-simulated and real ultrasound images. The experimental findings reveal the superiority of the proposed method both quantitatively and qualitatively in comparison with other speckle reduction methods reported in the literature. The proposed method yields an average signal-to-noise ratio gain of more than 2.16 dB over the non-convex regularizer-based speckle noise removal method, 3.83 dB over the Aubert-Aujol model, 1.71 dB over the Shi-Osher model and 3.21 dB over the Rudin-Lions-Osher model on speckle-simulated synthetic images. Furthermore, visual evaluation of the despeckled images shows that the proposed method suppresses speckle noise well while preserving the textures and fine details. © IMechE 2015.

  9. Efficient laser noise reduction method via actively stabilized optical delay line.

    PubMed

    Li, Dawei; Qian, Cheng; Li, Ye; Zhao, Jianye

    2017-04-17

    We report a fiber laser noise reduction method by locking it to an actively stabilized optical delay line, specifically a fiber-based Mach-Zehnder interferometer with a 10 km optical fiber spool. The fiber spool is used to achieve large arm imbalance. The heterodyne signal of the two arms converts the laser noise from the optical domain to several megahertz, and it is used in laser noise reduction by a phase-locked loop. An additional phase-locked loop is induced in the system to compensate the phase noise due to environmentally induced length fluctuations of the optical fiber spool. A major advantage of this structure is the efficient reduction of out-of-loop frequency noise, particularly at low Fourier frequency. The frequency noise reaches -30 dBc/Hz at 1 Hz, which is reduced by more than 90 dB compared with that of the laser in its free-running state.

  10. Method and apparatus for monitoring a hydrocarbon-selective catalytic reduction device

    DOEpatents

    Schmieg, Steven J; Viola, Michael B; Cheng, Shi-Wai S; Mulawa, Patricia A; Hilden, David L; Sloane, Thompson M; Lee, Jong H

    2014-05-06

    A method for monitoring a hydrocarbon-selective catalytic reactor device of an exhaust aftertreatment system of an internal combustion engine operating lean of stoichiometry includes injecting a reductant into an exhaust gas feedstream upstream of the hydrocarbon-selective catalytic reactor device at a predetermined mass flowrate of the reductant, and determining a space velocity associated with a predetermined forward portion of the hydrocarbon-selective catalytic reactor device. When the space velocity exceeds a predetermined threshold space velocity, a temperature differential across the predetermined forward portion of the hydrocarbon-selective catalytic reactor device is determined, and a threshold temperature as a function of the space velocity and the mass flowrate of the reductant is determined. If the temperature differential across the predetermined forward portion of the hydrocarbon-selective catalytic reactor device is below the threshold temperature, operation of the engine is controlled to regenerate the hydrocarbon-selective catalytic reactor device.

  11. Complex eigenvalue extraction in NASTRAN by the tridiagonal reduction (FEER) method

    NASA Technical Reports Server (NTRS)

    Newman, M.; Mann, F. I.

    1977-01-01

    An extension of the Tridiagonal Reduction (FEER) method to complex eigenvalue analysis in NASTRAN is described. As in the case of real eigenvalue analysis, the eigensolutions closest to a selected point in the eigenspectrum are extracted from a reduced, symmetric, tridiagonal eigenmatrix whose order is much lower than that of the full size problem. The reduction process is effected automatically, and thus avoids the arbitrary lumping of masses and other physical quantities at selected grid points. The statement of the algebraic eigenvalue problem admits mass, damping and stiffness matrices which are unrestricted in character, i.e., they may be real, complex, symmetric or unsymmetric, singular or non-singular.

  12. Iterative methods used in overlap astrometric reduction techniques do not always converge

    NASA Astrophysics Data System (ADS)

    Rapaport, M.; Ducourant, C.; Colin, J.; Le Campion, J. F.

    1993-04-01

    In this paper we prove that the classical Gauss-Seidel type iterative methods used for the solution of the reduced normal equations occurring in overlapping reduction methods of astrometry do not always converge. We exhibit examples of divergence. We then analyze an alternative algorithm proposed by Wang (1985). We prove the consistency of this algorithm and verify that it can be convergent while the Gauss-Seidel method is divergent. We conjecture the convergence of Wang method for the solution of astrometric problems using overlap techniques.

  13. Microgravity Superagglomerates Produced By Silane And Acetylene

    NASA Technical Reports Server (NTRS)

    Gokoglu, Suleyman (Technical Monitor); Bundy, Matthew; Mulholland, George W.; Manzello, Samuel; Yang, Jiann; Scott, John Henry; Sivathanu, Yudaya

    2003-01-01

    The size of the agglomerates produced in the upper portion of a flame is important for a variety of applications. Soot particle size and density effect the amount of radiative heat transfer from a fire to its surroundings. Particle size determines the lifetime of smoke in a building or in the atmosphere, and exposure hazard for smoke inhaled and deposited in the lungs. The visibility through a smoke layer and dectectability of the smoke are also greatly affected by agglomerate size. Currently there is limited understanding of soot growth with an overall dimension of 10 m and larger. In the case of polystyrene, smoke agglomerates in excess of 1 mm have been observed raining out from large fires. Unlike hydrocarbon fuels, silane has the advantage that silica particles are the major combustion product resulting in a particle volume fraction a factor of ten greater than that for a carbonaceous smoke. There are two very desirable properties of silica aero-gels that are important for both space and earth based applications. The first important property is its inertness to most oxidizing and reducing atmospheres. Therefore, silica aero-gels make excellent fire ablatives and can be used in very demanding applications. The second important property is that silica aero-gels are expected to have very high porosity (greater than 0.999), making them lightweight and ideal for aerospace applications. The added benefit of the high porosity is that they can be used as extremely efficient filters for many earth based applications as well. Evidence of the formation of superagglomerates in a laminar acetylene/air diffusion flame was found by Sorensen et al. [1]. An interconnecting web of super-agglomerates was observed to span the width of the soot plume in the region just above the flame tip and described as a gel state. It was observed that this gel state immediately breaks up into agglomerates as larges as 100 m due to buoyancy induced turbulence. Large soot agglomerates were

  14. Model Reduction via Principe Component Analysis and Markov Chain Monte Carlo (MCMC) Methods

    NASA Astrophysics Data System (ADS)

    Gong, R.; Chen, J.; Hoversten, M. G.; Luo, J.

    2011-12-01

    Geophysical and hydrogeological inverse problems often include a large number of unknown parameters, ranging from hundreds to millions, depending on parameterization and problems undertaking. This makes inverse estimation and uncertainty quantification very challenging, especially for those problems in two- or three-dimensional spatial domains. Model reduction technique has the potential of mitigating the curse of dimensionality by reducing total numbers of unknowns while describing the complex subsurface systems adequately. In this study, we explore the use of principal component analysis (PCA) and Markov chain Monte Carlo (MCMC) sampling methods for model reduction through the use of synthetic datasets. We compare the performances of three different but closely related model reduction approaches: (1) PCA methods with geometric sampling (referred to as 'Method 1'), (2) PCA methods with MCMC sampling (referred to as 'Method 2'), and (3) PCA methods with MCMC sampling and inclusion of random effects (referred to as 'Method 3'). We consider a simple convolution model with five unknown parameters as our goal is to understand and visualize the advantages and disadvantages of each method by comparing their inversion results with the corresponding analytical solutions. We generated synthetic data with noise added and invert them under two different situations: (1) the noised data and the covariance matrix for PCA analysis are consistent (referred to as the unbiased case), and (2) the noise data and the covariance matrix are inconsistent (referred to as biased case). In the unbiased case, comparison between the analytical solutions and the inversion results show that all three methods provide good estimates of the true values and Method 1 is computationally more efficient. In terms of uncertainty quantification, Method 1 performs poorly because of relatively small number of samples obtained, Method 2 performs best, and Method 3 overestimates uncertainty due to inclusion

  15. Plasma in-liquid method for reduction of zinc oxide in zinc nanoparticle synthesis

    NASA Astrophysics Data System (ADS)

    Amaliyah, Novriany; Mukasa, Shinobu; Nomura, Shinfuku; Toyota, Hiromichi; Kitamae, Tomohide

    2015-02-01

    Metal air-batteries with high-energy density are expected to be increasingly applied in electric vehicles. This will require a method of recycling air batteries, and reduction of metal oxide by generating plasma in liquid has been proposed as a possible method. Microwave-induced plasma is generated in ethanol as a reducing agent in which zinc oxide is dispersed. Analysis by energy-dispersive x-ray spectrometry (EDS) and x-ray diffraction (XRD) reveals the reduction of zinc oxide. According to images by transmission electron microscopy (TEM), cubic and hexagonal metallic zinc particles are formed in sizes of 30 to 200 nm. Additionally, spherical fiber flocculates approximately 180 nm in diameter are present.

  16. Method for inserting noise in digital mammography to simulate reduction in radiation dose

    NASA Astrophysics Data System (ADS)

    Borges, Lucas R.; de Oliveira, Helder C. R.; Nunes, Polyana F.; Vieira, Marcelo A. C.

    2015-03-01

    The quality of clinical x-ray images is closely related to the radiation dose used in the imaging study. The general principle for selecting the radiation is ALARA ("as low as reasonably achievable"). The practical optimization, however, remains challenging. It is well known that reducing the radiation dose increases the quantum noise, which could compromise the image quality. In order to conduct studies about dose reduction in mammography, it would be necessary to acquire repeated clinical images, from the same patient, with different dose levels. However, such practice would be unethical due to radiation related risks. One solution is to simulate the effects of dose reduction in clinical images. This work proposes a new method, based on the Anscombe transformation, which simulates dose reduction in digital mammography by inserting quantum noise into clinical mammograms acquired with the standard radiation dose. Thus, it is possible to simulate different levels of radiation doses without exposing the patient to new levels of radiation. Results showed that the achieved quality of simulated images generated with our method is the same as when using other methods found in the literature, with the novelty of using the Anscombe transformation for converting signal-independent Gaussian noise into signal-dependent quantum noise.

  17. Reduction of aflatoxin in rice by different cooking methods.

    PubMed

    Sani, Ali Mohamadi; Azizi, Eisa Gholampour; Salehi, Esmaeel Ataye; Rahimi, Khadije

    2014-07-01

    Rice (Oryza sativa Linn) is one of the basic diets in the north of Iran. The aim of present study was to detect total aflatoxin (AFT) in domestic and imported rice in Amol (in the north of Iran) and to evaluate the effect of different cooking methods on the levels of the toxin. For this purpose, 42 rice samples were collected from retail stores. The raw samples were analysed by enzyme-linked immunosorbent assay (ELISA) technique for toxin assessment and then submitted to two different cooking methods including traditional local method and in rice cooker. After treatment, AFT was determined. Results show that the average concentration of AFT in domestic and imported samples was 1.08 ± 0.02 and 1.89 ± 0.87 ppb, respectively, which is lower than national and European Union standards. The highest AFT reduction (24.8%) was observed when rice samples were cooked by rice cooker but the difference with local method was not statistically significant (p > 0.05). © The Author(s) 2012.

  18. Wispy Prosthesis: A Novel Method in Denture Weight Reduction

    PubMed Central

    Anne, Gopinadh; Budeti, Sreedevi; Anche, Sampath Kumar; Zakkula, Srujana; Atla, Jyothi; Jyothula, Ravi Rakesh Dev; Peddinti, Vijaya Kumar

    2016-01-01

    Introduction Stability and retention of the denture becomes at stake with the increase in weight of the denture prosthesis. As a consequence, different materials and methods have been introduced to overcome these issues but denture weight reduction still remains to be a cumbersome and strenuous procedure. Aim To introduce a novel technique for the fabrication of denture prosthesis where in the weight of the denture will not affect the retention and stability of the denture. Materials and Methods Four groups with a sample size of 10 each, were included where in one group was control and other three were study groups. The control group samples were made completely solid and the study group samples were packed with materials like bean balls, cellulose balls and polyacrylic fibers. The weight of all the samples of each study group was measured and compared with the control group. The observations were analyzed statistically by paired t-test. Results It was observed that the bean balls group produced a weight reduction of 31.3%, cellulose balls group 27.4% and polyacrylic fibers group 24.5% when compared to that of the control group. Conclusion This novel technique will eliminate the problems that were associated in creating hollowness and at the same time will reduce the weight of the prosthesis and among all the study groups, bean balls group were found to reduce maximum weight of the prosthesis. PMID:27190947

  19. Methods and systems for combustion dynamics reduction

    DOEpatents

    Kraemer, Gilbert Otto [Greer, SC; Varatharajan, Balachandar [Cincinnati, OH; Srinivasan, Shiva [Greer, SC; Lynch, John Joseph [Wilmington, NC; Yilmaz, Ertan [Albany, NY; Kim, Kwanwoo [Greer, SC; Lacy, Benjamin [Greer, SC; Crothers, Sarah [Greenville, SC; Singh, Kapil Kumar [Rexford, NY

    2009-08-25

    Methods and systems for combustion dynamics reduction are provided. A combustion chamber may include a first premixer and a second premixer. Each premixer may include at least one fuel injector, at least one air inlet duct, and at least one vane pack for at least partially mixing the air from the air inlet duct or ducts and fuel from the fuel injector or injectors. Each vane pack may include a plurality of fuel orifices through which at least a portion of the fuel and at least a portion of the air may pass. The vane pack or packs of the first premixer may be positioned at a first axial position and the vane pack or packs of the second premixer may be positioned at a second axial position axially staggered with respect to the first axial position.

  20. Synthesis, characterization and antimicrobial evaluation of some new schiff, mannich and acetylenic Mannich bases incorporating a 1,2,4-triazole nucleus.

    PubMed

    Aouad, Mohamed R

    2014-11-18

    A series of Schiff and Mannich bases derived from 4-amino-5-(3-fluoro-phenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione were synthesized. The alkylation of 4-phenyl-5-(3-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione with propargyl bromide afforded the corresponding thiopropargylated derivative which upon treatment with the appropriate secondary amines in the presence of CuCl2 furnished the desired acetylenic Mannich bases. The synthesized compounds were characterized on the basis of their spectral (IR, 1H- and 13C-NMR) data and evaluated for their biological activities. Some of the compounds were found to exhibit significant antimicrobial activity.

  1. Method for Synthesizing Metal Nanowires in Anodic Alumina Membranes Using Solid State Reduction

    NASA Technical Reports Server (NTRS)

    Martinez-Inesta, Maria M (Inventor); Feliciano, Jennie (Inventor); Quinones-Fontalvo, Leonel (Inventor)

    2016-01-01

    The invention proposes a novel method for the fabrication of regular arrays of MNWs using solid-state reduction (SSR). Using this method copper (Cu), silver (Ag), and palladium (Pd) nanowire (NWs) arrays were synthesized using anodic alumina membranes (AAMs) as templates. Depending on the metal loading used the NWs reached different diameters.

  2. Modular anode assemblies and methods of using the same for electrochemical reduction

    DOEpatents

    Wiedmeyer, Stanley G; Barnes, Laurel A; Williamson, Mark A; Willit, James L

    2015-02-17

    Modular anode assemblies are used in electrolytic oxide reduction systems for scalable reduced metal production via electrolysis. Assemblies include a channel frame connected to several anode rods extending into an electrolyte. An electrical system powers the rods while being insulated from the channel frame. A cooling system removes heat from anode rods and the electrical system. An anode guard attaches to the channel frame to prevent accidental electrocution or damage during handling or repositioning. Each anode rod may be divided into upper and lower sections to permit easy repair and swapping out of lower sections. The modular assemblies may have standardized components to permit placement at multiple points within a reducing system. Example methods may operate an electrolytic oxide reduction system by positioning the modular anode assemblies in the reduction system and applying electrical power to the plurality of anode assemblies.

  3. A Structure Design Method for Reduction of MRI Acoustic Noise.

    PubMed

    Nan, Jiaofen; Zong, Nannan; Chen, Qiqiang; Zhang, Liangliang; Zheng, Qian; Xia, Yongquan

    2017-01-01

    The acoustic problem of the split gradient coil is one challenge in a Magnetic Resonance Imaging and Linear Accelerator (MRI-LINAC) system. In this paper, we aimed to develop a scheme to reduce the acoustic noise of the split gradient coil. First, a split gradient assembly with an asymmetric configuration was designed to avoid vibration in same resonant modes for the two assembly cylinders. Next, the outer ends of the split main magnet were constructed using horn structures, which can distribute the acoustic field away from patient region. Finally, a finite element method (FEM) was used to quantitatively evaluate the effectiveness of the above acoustic noise reduction scheme. Simulation results found that the noise could be maximally reduced by 6.9 dB and 5.6 dB inside and outside the central gap of the split MRI system, respectively, by increasing the length of one gradient assembly cylinder by 20 cm. The optimized horn length was observed to be 55 cm, which could reduce noise by up to 7.4 dB and 5.4 dB inside and outside the central gap, respectively. The proposed design could effectively reduce the acoustic noise without any influence on the application of other noise reduction methods.

  4. Methods for measuring denitrification: Diverse approaches to a difficult problem

    USGS Publications Warehouse

    Groffman, Peter M; Altabet, Mary A.; Böhlke, J.K.; Butterbach-Bahl, Klaus; David, Mary B.; Firestone, Mary K.; Giblin, Anne E.; Kana, Todd M.; Nielsen , Lars Peter; Voytek, Mary A.

    2006-01-01

    Denitrification, the reduction of the nitrogen (N) oxides, nitrate (NO3−) and nitrite (NO2−), to the gases nitric oxide (NO), nitrous oxide (N2O), and dinitrogen (N2), is important to primary production, water quality, and the chemistry and physics of the atmosphere at ecosystem, landscape, regional, and global scales. Unfortunately, this process is very difficult to measure, and existing methods are problematic for different reasons in different places at different times. In this paper, we review the major approaches that have been taken to measure denitrification in terrestrial and aquatic environments and discuss the strengths, weaknesses, and future prospects for the different methods. Methodological approaches covered include (1) acetylene-based methods, (2) 15N tracers, (3) direct N2 quantification, (4) N2:Ar ratio quantification, (5) mass balance approaches, (6) stoichiometric approaches, (7) methods based on stable isotopes, (8) in situ gradients with atmospheric environmental tracers, and (9) molecular approaches. Our review makes it clear that the prospects for improved quantification of denitrification vary greatly in different environments and at different scales. While current methodology allows for the production of accurate estimates of denitrification at scales relevant to water and air quality and ecosystem fertility questions in some systems (e.g., aquatic sediments, well-defined aquifers), methodology for other systems, especially upland terrestrial areas, still needs development. Comparison of mass balance and stoichiometric approaches that constrain estimates of denitrification at large scales with point measurements (made using multiple methods), in multiple systems, is likely to propel more improvement in denitrification methods over the next few years.

  5. Research on numerical method for multiple pollution source discharge and optimal reduction program

    NASA Astrophysics Data System (ADS)

    Li, Mingchang; Dai, Mingxin; Zhou, Bin; Zou, Bin

    2018-03-01

    In this paper, the optimal method for reduction program is proposed by the nonlinear optimal algorithms named that genetic algorithm. The four main rivers in Jiangsu province, China are selected for reducing the environmental pollution in nearshore district. Dissolved inorganic nitrogen (DIN) is studied as the only pollutant. The environmental status and standard in the nearshore district is used to reduce the discharge of multiple river pollutant. The research results of reduction program are the basis of marine environmental management.

  6. Measurement of dinitrogen fixation by Biological soil crust (BSC) from the Sahelian zone: an isotopic method.

    NASA Astrophysics Data System (ADS)

    Ehrhardt, F.; Alavoine, G.; Bertrand, I.

    2012-04-01

    Amongst the described ecological roles of Biological Soil Crust, N fixation is of importance for soil fertility, especially in arid and semi-arid ecosystems with low inputs. In BSC, the quantification of N fixation fluxes using an indirect method is widespread, usually with the Acetylene Reduction Assay (ARA) which consists in measuring the nitrogenase activity through the process of acetylene reduction into ethylene. A converting factor, still discussed in the literature and greatly depending of the constitutive organisms of the BSC, is the tool used to convert the amount of reduced ethylene into quantitative fixed Nitrogen. The aim of this poster is to describe an isotopic direct method to quantify the atmospheric dinitrogen fixation fluxes in BSC, while minimizing the variability due to manipulations. Nine different BSC from the Sahelian zone were selected and placed in an incubation room at 28° C in dark and light conditions during three days, while moisture equivalent to pF=2 was regularly adjusted using the gravimetric method with needles and deionized water, in order to activate and reach a dynamic stability of their metabolisms. Subsequently, each crust was placed into a gas-tight glass vial for incubation with a reconstituted 15N2 enriched atmosphere (31.61 % atom 15N, while the proportion of each main gas present in the air was conserved, i.e. 78% N2, 21% O2 and 0.04% CO2). Principal difficulties are to guarantee the airtighness of the system, to avoid crust desiccation and to keep the crust metabolically active under stable conditions for six hours. Several tests were performed to determine the optimum time for 15N2 incubation. Three replicated control samples per crust were also stabilized for three days and then dried at 105° C, without any incubation with 15N2 enriched atmosphere. Total N and 15N were then measured in the grounded (80μm) and dried (105° C) crust, using a Flash EA elemental analyzer (Eurovector, Milan, Italy) coupled to a Delta

  7. Isotope effect in acetylene C2H2 and C2D2 rotations on Cu(001)

    NASA Astrophysics Data System (ADS)

    Shchadilova, Yulia E.; Tikhodeev, Sergei G.; Paulsson, Magnus; Ueba, Hiromu

    2014-04-01

    A comprehensive analysis of the elementary processes behind the scanning tunneling microscope controlled rotation of C2H2 and C2D2, isotopologues of a single acetylene molecule adsorbed on the Cu(001) surface, is given, with a focus on the isotope effects. With the help of density-functional theory we calculate the vibrational modes of C2H2 and C2D2 on Cu(001) and estimate the anharmonic couplings between them, using a simple strings-on-rods model. The probability of the elementary processes, nonlinear and combination band, is estimated using the Keldysh diagram technique. This allows us to clarify the main peculiarities and the isotope effects of the C2H2 and C2D2 on Cu(001) rotation, discovered in the pioneering work [B. C. Stipe et al., Phys. Rev. Lett. 81, 1263 (1998), 10.1103/PhysRevLett.81.1263], which have not been previously understood.

  8. Influence of resonant collisions on the self-broadening of acetylene

    NASA Astrophysics Data System (ADS)

    Lehmann, Kevin K.

    2017-03-01

    Iwakuni et al. [Phys. Rev. Lett. 117, 143902 (2016)] have reported an ortho-para alternation of ˜10% in the self pressure broadening coefficients for ro-vibrational lines of the C2H2 transitions in the ν1+ν3 C-H (local mode) overtone band near 197 THz (1.52 μm). These authors attributed this effect to the contribution of resonant collisions, where the rotational energy change of one molecule is exactly compensated by the rotational energy change of its collision partner. Resonant collisions are known to be important in the case of self pressure broadening of highly polar molecules, such as HCN, but have not previously been invoked in the case of nonpolar molecules, such as acetylene, where the long range potential is dominated by the quadrupole-quadrupole electrostatic interaction. In the present work, the simple semiclassical Anderson-theory approach is used to estimate the rates of C2H2-C2H2 rotationally inelastic collisions and these used to predict pressure broadening rates, ignoring other contributions to the broadening, which should not have resonant enhancements. It is found that exactly resonant collisions do not make a major contribution to the broadening and these calculations predict an ortho-para alternation of the pressure broadening coefficients far below what was inferred by Iwakuni et al. The present results are consistent with a large body of published work that reported self-broadening coefficients of C2H2 ro-vibrational transitions that found negligible dependence on the vibrational transition and no even-odd alternation, even for Q and S branch transitions where any such effect is predicted to be much larger than for the P and R branch transitions studied by Iwakuni et al.

  9. Acetylene Black Induced Heterogeneous Growth of Macroporous CoV2O6 Nanosheet for High-Rate Pseudocapacitive Lithium-Ion Battery Anode.

    PubMed

    Zhang, Lei; Zhao, Kangning; Luo, Yanzhu; Dong, Yifan; Xu, Wangwang; Yan, Mengyu; Ren, Wenhao; Zhou, Liang; Qu, Longbing; Mai, Liqiang

    2016-03-23

    Metal vanadates suffer from fast capacity fading in lithium-ion batteries especially at a high rate. Pseudocapacitance, which is associated with surface or near-surface redox reactions, can provide fast charge/discharge capacity free from diffusion-controlled intercalation processes and is able to address the above issue. In this work, we report the synthesis of macroporous CoV2O6 nanosheets through a facile one-pot method via acetylene black induced heterogeneous growth. When applied as lithium-ion battery anode, the macroporous CoV2O6 nanosheets show typical features of pseudocapacitive behavior: (1) currents that are mostly linearly dependent on sweep rate and (2) redox peaks whose potentials do not shift significantly with sweep rate. The macroporous CoV2O6 nanosheets display a high reversible capacity of 702 mAh g(-1) at 200 mA g(-1), excellent cyclability with a capacity retention of 89% (against the second cycle) after 500 cycles at 500 mA g(-1), and high rate capability of 453 mAh g(-1) at 5000 mA g(-1). We believe that the introduction of pseudocapacitive properties in lithium battery is a promising direction for developing electrode materials with high-rate capability.

  10. Nonlinear model-order reduction for compressible flow solvers using the Discrete Empirical Interpolation Method

    NASA Astrophysics Data System (ADS)

    Fosas de Pando, Miguel; Schmid, Peter J.; Sipp, Denis

    2016-11-01

    Nonlinear model reduction for large-scale flows is an essential component in many fluid applications such as flow control, optimization, parameter space exploration and statistical analysis. In this article, we generalize the POD-DEIM method, introduced by Chaturantabut & Sorensen [1], to address nonlocal nonlinearities in the equations without loss of performance or efficiency. The nonlinear terms are represented by nested DEIM-approximations using multiple expansion bases based on the Proper Orthogonal Decomposition. These extensions are imperative, for example, for applications of the POD-DEIM method to large-scale compressible flows. The efficient implementation of the presented model-reduction technique follows our earlier work [2] on linearized and adjoint analyses and takes advantage of the modular structure of our compressible flow solver. The efficacy of the nonlinear model-reduction technique is demonstrated to the flow around an airfoil and its acoustic footprint. We could obtain an accurate and robust low-dimensional model that captures the main features of the full flow.

  11. Assessment of metal artifact reduction methods in pelvic CT

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

    Abdoli, Mehrsima; Mehranian, Abolfazl; Ailianou, Angeliki

    2016-04-15

    Purpose: Metal artifact reduction (MAR) produces images with improved quality potentially leading to confident and reliable clinical diagnosis and therapy planning. In this work, the authors evaluate the performance of five MAR techniques for the assessment of computed tomography images of patients with hip prostheses. Methods: Five MAR algorithms were evaluated using simulation and clinical studies. The algorithms included one-dimensional linear interpolation (LI) of the corrupted projection bins in the sinogram, two-dimensional interpolation (2D), a normalized metal artifact reduction (NMAR) technique, a metal deletion technique, and a maximum a posteriori completion (MAPC) approach. The algorithms were applied to ten simulatedmore » datasets as well as 30 clinical studies of patients with metallic hip implants. Qualitative evaluations were performed by two blinded experienced radiologists who ranked overall artifact severity and pelvic organ recognition for each algorithm by assigning scores from zero to five (zero indicating totally obscured organs with no structures identifiable and five indicating recognition with high confidence). Results: Simulation studies revealed that 2D, NMAR, and MAPC techniques performed almost equally well in all regions. LI falls behind the other approaches in terms of reducing dark streaking artifacts as well as preserving unaffected regions (p < 0.05). Visual assessment of clinical datasets revealed the superiority of NMAR and MAPC in the evaluated pelvic organs and in terms of overall image quality. Conclusions: Overall, all methods, except LI, performed equally well in artifact-free regions. Considering both clinical and simulation studies, 2D, NMAR, and MAPC seem to outperform the other techniques.« less

  12. Assessing Regional Emissions Reductions from Travel Efficiency: Applying the Travel Efficiency Assessment Method

    EPA Pesticide Factsheets

    This presentation from the 2016 TRB Summer Conference on Transportation Planning and Air Quality summarizes the application of the Travel Efficiency Assessment Method (TEAM) which analyzed selected transportation emission reduction strategies in three case

  13. An Approach for Hydrogen Recycling in a Closed-loop Life Support Architecture to Increase Oxygen Recovery Beyond State-of-the-Art

    NASA Technical Reports Server (NTRS)

    Abney, Morgan B.; Miller, Lee; Greenwood, Zachary; Alvarez, Giraldo

    2014-01-01

    State-of-the-art atmosphere revitalization life support technology on the International Space Station is theoretically capable of recovering 50% of the oxygen from metabolic carbon dioxide via the Carbon Dioxide Reduction Assembly (CRA). When coupled with a Plasma Pyrolysis Assembly (PPA), oxygen recovery increases dramatically, thus drastically reducing the logistical challenges associated with oxygen resupply. The PPA decomposes methane to predominantly form hydrogen and acetylene. Because of the unstable nature of acetylene, a down-stream separation system is required to remove acetylene from the hydrogen stream before it is recycled to the CRA. A new closed-loop architecture that includes a PPA and downstream Hydrogen Purification Assembly (HyPA) is proposed and discussed. Additionally, initial results of separation material testing are reported.

  14. A sparse grid based method for generative dimensionality reduction of high-dimensional data

    NASA Astrophysics Data System (ADS)

    Bohn, Bastian; Garcke, Jochen; Griebel, Michael

    2016-03-01

    Generative dimensionality reduction methods play an important role in machine learning applications because they construct an explicit mapping from a low-dimensional space to the high-dimensional data space. We discuss a general framework to describe generative dimensionality reduction methods, where the main focus lies on a regularized principal manifold learning variant. Since most generative dimensionality reduction algorithms exploit the representer theorem for reproducing kernel Hilbert spaces, their computational costs grow at least quadratically in the number n of data. Instead, we introduce a grid-based discretization approach which automatically scales just linearly in n. To circumvent the curse of dimensionality of full tensor product grids, we use the concept of sparse grids. Furthermore, in real-world applications, some embedding directions are usually more important than others and it is reasonable to refine the underlying discretization space only in these directions. To this end, we employ a dimension-adaptive algorithm which is based on the ANOVA (analysis of variance) decomposition of a function. In particular, the reconstruction error is used to measure the quality of an embedding. As an application, the study of large simulation data from an engineering application in the automotive industry (car crash simulation) is performed.

  15. QUADRO: A SUPERVISED DIMENSION REDUCTION METHOD VIA RAYLEIGH QUOTIENT OPTIMIZATION.

    PubMed

    Fan, Jianqing; Ke, Zheng Tracy; Liu, Han; Xia, Lucy

    We propose a novel Rayleigh quotient based sparse quadratic dimension reduction method-named QUADRO (Quadratic Dimension Reduction via Rayleigh Optimization)-for analyzing high-dimensional data. Unlike in the linear setting where Rayleigh quotient optimization coincides with classification, these two problems are very different under nonlinear settings. In this paper, we clarify this difference and show that Rayleigh quotient optimization may be of independent scientific interests. One major challenge of Rayleigh quotient optimization is that the variance of quadratic statistics involves all fourth cross-moments of predictors, which are infeasible to compute for high-dimensional applications and may accumulate too many stochastic errors. This issue is resolved by considering a family of elliptical models. Moreover, for heavy-tail distributions, robust estimates of mean vectors and covariance matrices are employed to guarantee uniform convergence in estimating non-polynomially many parameters, even though only the fourth moments are assumed. Methodologically, QUADRO is based on elliptical models which allow us to formulate the Rayleigh quotient maximization as a convex optimization problem. Computationally, we propose an efficient linearized augmented Lagrangian method to solve the constrained optimization problem. Theoretically, we provide explicit rates of convergence in terms of Rayleigh quotient under both Gaussian and general elliptical models. Thorough numerical results on both synthetic and real datasets are also provided to back up our theoretical results.

  16. A New Feature-Enhanced Speckle Reduction Method Based on Multiscale Analysis for Ultrasound B-Mode Imaging.

    PubMed

    Kang, Jinbum; Lee, Jae Young; Yoo, Yangmo

    2016-06-01

    Effective speckle reduction in ultrasound B-mode imaging is important for enhancing the image quality and improving the accuracy in image analysis and interpretation. In this paper, a new feature-enhanced speckle reduction (FESR) method based on multiscale analysis and feature enhancement filtering is proposed for ultrasound B-mode imaging. In FESR, clinical features (e.g., boundaries and borders of lesions) are selectively emphasized by edge, coherence, and contrast enhancement filtering from fine to coarse scales while simultaneously suppressing speckle development via robust diffusion filtering. In the simulation study, the proposed FESR method showed statistically significant improvements in edge preservation, mean structure similarity, speckle signal-to-noise ratio, and contrast-to-noise ratio (CNR) compared with other speckle reduction methods, e.g., oriented speckle reducing anisotropic diffusion (OSRAD), nonlinear multiscale wavelet diffusion (NMWD), the Laplacian pyramid-based nonlinear diffusion and shock filter (LPNDSF), and the Bayesian nonlocal means filter (OBNLM). Similarly, the FESR method outperformed the OSRAD, NMWD, LPNDSF, and OBNLM methods in terms of CNR, i.e., 10.70 ± 0.06 versus 9.00 ± 0.06, 9.78 ± 0.06, 8.67 ± 0.04, and 9.22 ± 0.06 in the phantom study, respectively. Reconstructed B-mode images that were developed using the five speckle reduction methods were reviewed by three radiologists for evaluation based on each radiologist's diagnostic preferences. All three radiologists showed a significant preference for the abdominal liver images obtained using the FESR methods in terms of conspicuity, margin sharpness, artificiality, and contrast, p<0.0001. For the kidney and thyroid images, the FESR method showed similar improvement over other methods. However, the FESR method did not show statistically significant improvement compared with the OBNLM method in margin sharpness for the kidney and thyroid images. These results demonstrate

  17. Chromophores from photolyzed ammonia reacting with acetylene: Application to Jupiter's Great Red Spot

    NASA Astrophysics Data System (ADS)

    Carlson, R. W.; Baines, K. H.; Anderson, M. S.; Filacchione, G.; Simon, A. A.

    2016-08-01

    The high altitude of Jupiter's Great Red Spot (GRS) may enhance the upward flux of gaseous ammonia (NH3) into the high troposphere, where NH3 molecules can be photodissociated and initiate a chain of chemical reactions with downwelling acetylene molecules (C2H2). These reactions, experimentally studied earlier by (Ferris and Ishikawa [1987] Nature 326, 777-778) and (Ferris and Ishikawa [1988] J. Amer. Chem. Soc. 110, 4306-4312), produce chromophores that absorb in the visible and ultraviolet regions. In this work we photolyzed mixtures of NH3 and C2H2 using ultraviolet radiation with a wavelength of 214 nm and measured the spectral transmission of the deposited films in the visible region (400-740 nm). From these transmission data we estimated the imaginary indices of refraction. Assuming that ammonia grains at the top of the GRS clouds are coated with this material, we performed layered sphere and radiative transfer calculations to predict GRS reflection spectra. Comparison of those results with observed and previously unreported Cassini visible spectra and with true-color images of the GRS show that the unknown GRS chromophore is spectrally consistent with the coupled NH3-C2H2 photochemical products produced in our laboratory experiments. Using high-resolution mass spectrometry and infrared spectroscopy we infer that the chromophore-containing residue is composed of aliphatic azine, azo, and diazo compounds.

  18. Chromophores from photolyzed ammonia reacting with acetylene: Application to Jupiters Great Red Spot

    NASA Technical Reports Server (NTRS)

    Carlson, Robert W.; Baines, Kevin H.; Anderson, M. S.; Filacchione, G.; Simon, A. A.

    2016-01-01

    The high altitude of Jupiter's Great Red Spot (GRS) may enhance the upward flux of gaseous ammonia (NH3 ) into the high troposphere, where NH3 molecules can be photodissociated and initiate a chain of chemical reactions with downwelling acetylene molecules (C2H2 ). These reactions, experimentally studied earlier by (Ferris and Ishikawa [1987] Nature 326, 777-778) and (Ferris and Ishikawa [1988] J. Amer. Chem. Soc. 110, 4306-4312), produce chromophores that absorb in the visible and ultraviolet regions. In this work we photolyzed mixtures of NH3 and C2H2 using ultraviolet radiation with a wavelength of 214 nm and measured the spectral transmission of the deposited films in the visible region (400-740 nm). From these transmission data we estimated the imaginary indices of refraction. Assuming that ammonia grains at the top of the GRS clouds are coated with this material, we performed layered sphere and radiative transfer calculations to predict GRS reflection spectra. Comparison of those results with observed and previously unreported Cassini visible spectra and with true-color images of the GRS show that the unknown GRS chromophore is spectrally consistent with the coupled NH3-C2H2 photochemical products produced in our laboratory experiments. Using high-resolution mass spectrometry and infrared spectroscopy we infer that the chromophore-containing residue is composed of aliphatic azine, azo, and diazo compounds.

  19. Study of the dc and 100kHz glow discharges in acetylene-nitrogen mixture by means of optical emission spectroscopy

    NASA Astrophysics Data System (ADS)

    Jamroz, P.; Zyrnicki, W.

    2002-09-01

    The dc and 100 kHz low pressure discharges in acetylene-nitrogen mixture have been studied here. Optical emission spectroscopy was used for identification of active plasma components and to determine plasma temperature. Relative concentrations of H, CH and CN were investigated versus experimental conditions by optical actinometry techniques. Emission intensities of N2 and N2^+ normalized to intensity of argon line were also monitored as a function of experimental parameters. The rotational temperatures from the N2^+ B^2Σ_u^+-X^2Σ_g^+ (0-0) and CN B^2Σ^+-X^2Σ^+ (0-0) bands and vibrational temperatures from the CN (B^2Σ^+-X^2Σ^+) and N2 (C^3Pi_u-B^3Pi_g) spectra were determined. Plasma processes and plasma equilibrium state were discussed.

  20. Time- and isomer-resolved measurements of sequential addition of acetylene to the propargyl radical

    DOE PAGES

    Savee, John D.; Selby, Talitha M.; Welz, Oliver; ...

    2015-10-06

    Soot formation in combustion is a complex process in which polycyclic aromatic hydrocarbons (PAHs) are believed to play a critical role. Recent works concluded that three consecutive additions of acetylene (C 2H 2) to propargyl (C 3H 3) create a facile route to the PAH indene (C 9H 8). However, the isomeric forms of C 5H 5 and C 7H 7 intermediates in this reaction sequence are not known. We directly investigate these intermediates using time- and isomer-resolved experiments. Both the resonance stabilized vinylpropargyl ( vp-C 5H 5) and 2,4-cyclopentadienyl ( c-C 5H 5) radical isomers of C 5H 5more » are produced, with substantially different intensities at 800 K vs 1000 K. In agreement with literature master equation calculations, we find that c-C 5H 5 + C 2H 2 produces only the tropyl isomer of C 7H 7 ( tp-C 7H 7) below 1000 K, and that tp-C 7H 7 + C 2H 2 terminates the reaction sequence yielding C 9H 8 (indene) + H. Lastly, this work demonstrates a pathway for PAH formation that does not proceed through benzene.« less

  1. Image color reduction method for color-defective observers using a color palette composed of 20 particular colors

    NASA Astrophysics Data System (ADS)

    Sakamoto, Takashi

    2015-01-01

    This study describes a color enhancement method that uses a color palette especially designed for protan and deutan defects, commonly known as red-green color blindness. The proposed color reduction method is based on a simple color mapping. Complicated computation and image processing are not required by using the proposed method, and the method can replace protan and deutan confusion (p/d-confusion) colors with protan and deutan safe (p/d-safe) colors. Color palettes for protan and deutan defects proposed by previous studies are composed of few p/d-safe colors. Thus, the colors contained in these palettes are insufficient for replacing colors in photographs. Recently, Ito et al. proposed a p/dsafe color palette composed of 20 particular colors. The author demonstrated that their p/d-safe color palette could be applied to image color reduction in photographs as a means to replace p/d-confusion colors. This study describes the results of the proposed color reduction in photographs that include typical p/d-confusion colors, which can be replaced. After the reduction process is completed, color-defective observers can distinguish these confusion colors.

  2. A diffusion-based truncated projection artifact reduction method for iterative digital breast tomosynthesis reconstruction

    PubMed Central

    Lu, Yao; Chan, Heang-Ping; Wei, Jun; Hadjiiski, Lubomir M

    2014-01-01

    Digital breast tomosynthesis (DBT) has strong promise to improve sensitivity for detecting breast cancer. DBT reconstruction estimates the breast tissue attenuation using projection views (PVs) acquired in a limited angular range. Because of the limited field of view (FOV) of the detector, the PVs may not completely cover the breast in the x-ray source motion direction at large projection angles. The voxels in the imaged volume cannot be updated when they are outside the FOV, thus causing a discontinuity in intensity across the FOV boundaries in the reconstructed slices, which we refer to as the truncated projection artifact (TPA). Most existing TPA reduction methods were developed for the filtered backprojection method in the context of computed tomography. In this study, we developed a new diffusion-based method to reduce TPAs during DBT reconstruction using the simultaneous algebraic reconstruction technique (SART). Our TPA reduction method compensates for the discontinuity in background intensity outside the FOV of the current PV after each PV updating in SART. The difference in voxel values across the FOV boundary is smoothly diffused to the region beyond the FOV of the current PV. Diffusion-based background intensity estimation is performed iteratively to avoid structured artifacts. The method is applicable to TPA in both the forward and backward directions of the PVs and for any number of iterations during reconstruction. The effectiveness of the new method was evaluated by comparing the visual quality of the reconstructed slices and the measured discontinuities across the TPA with and without artifact correction at various iterations. The results demonstrated that the diffusion-based intensity compensation method reduced the TPA while preserving the detailed tissue structures. The visibility of breast lesions obscured by the TPA was improved after artifact reduction. PMID:23318346

  3. Reductive Dechlorination of Carbon Tetrachloride by Tetrachloroethene and Trichloroethene Respiring Anaerobic Mixed Cultures

    NASA Astrophysics Data System (ADS)

    Vickstrom, K. E.; Azizian, M.; Semprini, L.

    2015-12-01

    Carbon tetrachloride (CT) is a toxic and recalcitrant groundwater contaminant with the potential to form a broad range of transformation products. Of the possible biochemical pathways through which CT can be degraded, reductive dehalogenation to less chlorinated compounds and mineralization to carbon dioxide (CO2) appear to be the most frequently utilized pathways by anaerobic organisms. Results will be presented from batch experiments of CT degradation by the Evanite (EV), Victoria Strain (VS) and Point Mugu (PM) anaerobic dechlorinating cultures. The cultures are grown in chemostats and are capable of transforming tetrachloroethene (PCE) or trichloroethene (TCE) to ethene by halorespiration via reductive dehalogenase enzymes. For the batch CT transformation tests, the cells along with supernatant were harvested from chemostats fed PCE or TCE, but never CT. The batch reactors were initially fed 0.0085 mM CT and an excess of formate (EV and VS) or lactate (PM) as electron donor. Transformation of CT was 100% with about 20% converted to chloroform (CF) and undetected products. Multiple additions of CT showed a slowing of pseudo first-order CT transformation rates across all cultures. Batch reactors were then established and fed 0.085 mM CT with an excess of electron donor in order to better quantify the reductive pathway. CT was transformed to CF and dichloromethane (DCM), with trace amounts of chloromethane (CM) detected. Between 60-90% of the mass added to the system was accounted for, showing that the majority of the carbon tetrachloride present is being reductively dehalogenated. Results from batch reactors that were poisoned using sodium azide, and from reactors not provided electron donor will be presented to distinguish between biotic and abiotic reactions. Furthermore, results from reactors prepared with acetylene (a potent, reversible inhibitor of reductive dehalogenases (1)) will be presented as a means of identifying the enzymes involved in the

  4. Exploring possible reaction pathways for the o-atom transfer reactions to unsaturated substrates catalyzed by a [Ni-NO2 ] ↔ [Ni-NO] redox couple using DFT methods.

    PubMed

    Tsipis, Athanassios C

    2017-07-15

    The (nitro)(N-methyldithiocarbamato)(trimethylphospane)nickel(II), [Ni(NO 2 )(S 2 CNHMe)(PMe 3 )] complex catalyses efficiently the O-atom transfer reactions to CO and acetylene. Energetically feasible sequence of elementary steps involved in the catalytic cycle of the air oxidation of CO and acetylene are proposed promoted by the Ni(NO 2 )(S 2 CNHMe)(PMe 3 )] ↔ Ni(NO 2 )(S 2 CNHMe)(PMe 3 ) redox couple using DFT methods both in vacuum and dichloromethane solutions. The catalytic air oxidation of HC≡CH involves formation of a five-member metallacycle intermediate, via a [3 + 2] cyclo-addition reaction of HC≡CH to the Ni-N = O moiety of the Ni(NO 2 )(S 2 CNHMe)(PMe 3 )] complex, followed by a β H-atom migration toward the C α carbon atom of the coordinated acetylene and release of the oxidation product (ketene). The geometric and energetic reaction profile for the reversible [Ni( κN1-NO 2 )(S 2 CNHMe)(PMe 3 )] ⇌ [Ni( κO,O2-ONO)(S 2 CNHMe)(PMe 3 )] linkage isomerization has also been modeled by DFT calculations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  5. A model and variance reduction method for computing statistical outputs of stochastic elliptic partial differential equations

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

    Vidal-Codina, F., E-mail: fvidal@mit.edu; Nguyen, N.C., E-mail: cuongng@mit.edu; Giles, M.B., E-mail: mike.giles@maths.ox.ac.uk

    We present a model and variance reduction method for the fast and reliable computation of statistical outputs of stochastic elliptic partial differential equations. Our method consists of three main ingredients: (1) the hybridizable discontinuous Galerkin (HDG) discretization of elliptic partial differential equations (PDEs), which allows us to obtain high-order accurate solutions of the governing PDE; (2) the reduced basis method for a new HDG discretization of the underlying PDE to enable real-time solution of the parameterized PDE in the presence of stochastic parameters; and (3) a multilevel variance reduction method that exploits the statistical correlation among the different reduced basismore » approximations and the high-fidelity HDG discretization to accelerate the convergence of the Monte Carlo simulations. The multilevel variance reduction method provides efficient computation of the statistical outputs by shifting most of the computational burden from the high-fidelity HDG approximation to the reduced basis approximations. Furthermore, we develop a posteriori error estimates for our approximations of the statistical outputs. Based on these error estimates, we propose an algorithm for optimally choosing both the dimensions of the reduced basis approximations and the sizes of Monte Carlo samples to achieve a given error tolerance. We provide numerical examples to demonstrate the performance of the proposed method.« less

  6. Integrand-level reduction of loop amplitudes by computational algebraic geometry methods

    NASA Astrophysics Data System (ADS)

    Zhang, Yang

    2012-09-01

    We present an algorithm for the integrand-level reduction of multi-loop amplitudes of renormalizable field theories, based on computational algebraic geometry. This algorithm uses (1) the Gröbner basis method to determine the basis for integrand-level reduction, (2) the primary decomposition of an ideal to classify all inequivalent solutions of unitarity cuts. The resulting basis and cut solutions can be used to reconstruct the integrand from unitarity cuts, via polynomial fitting techniques. The basis determination part of the algorithm has been implemented in the Mathematica package, BasisDet. The primary decomposition part can be readily carried out by algebraic geometry softwares, with the output of the package BasisDet. The algorithm works in both D = 4 and D = 4 - 2 ɛ dimensions, and we present some two and three-loop examples of applications of this algorithm.

  7. 50 CFR 600.1011 - Reduction methods and other conditions.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ..., require such title restriction or scrapping of reduction vessels unless the business plan voluntarily... reduction fishery. (e) Reduction vessels disposition. Where a business plan requires the withdrawal from... (b) of this section unless the business plan volunteers to do otherwise; and (3) Any subsidized...

  8. Method of controlled reduction of nitroaromatics by enzymatic reaction with oxygen sensitive nitroreductase enzymes

    DOEpatents

    Shah, Manish M.; Campbell, James A.

    1998-01-01

    A method for the controlled reduction of nitroaromatic compounds such as nitrobenzene and 2,4,6-trinitrotoluene by enzymatic reaction with oxygen sensitive nitroreductase enzymes, such as ferredoxin NADP oxidoreductase.

  9. Assessment of methods for methyl iodide emission reduction and pest control using a simulation model

    USDA-ARS?s Scientific Manuscript database

    Various methods have been developed to reduce atmospheric emissions from the agricultural use of highly volatile pesticides and mitigate their adverse environmental effects. The effectiveness of various methods on emissions reduction and pest control was assessed using simulation model in this study...

  10. A rapid method for determining tin and molybdenum in geological samples by flame atomic-absorption spectroscopy

    USGS Publications Warehouse

    Welsch, E.P.

    1985-01-01

    The proposed method uses a lithium metaborate fusion, dissolution of the fusion bead in 15% v v hydrochloric acid, extraction into a 4% solution of trioctylphosphine oxide in methyl isobutyl ketone, and aspiration into a nitrous oxide-acetylene flame. The limits of detection for tin and molybdenum are 1.0 and 0.5 ppm, respectively. Approximately 50 samples can be analysed per day. ?? 1985.

  11. Method for ion implantation induced embedded particle formation via reduction

    DOEpatents

    Hampikian, Janet M; Hunt, Eden M

    2001-01-01

    A method for ion implantation induced embedded particle formation via reduction with the steps of ion implantation with an ion/element that will chemically reduce the chosen substrate material, implantation of the ion/element to a sufficient concentration and at a sufficient energy for particle formation, and control of the temperature of the substrate during implantation. A preferred embodiment includes the formation of particles which are nano-dimensional (<100 m-n in size). The phase of the particles may be affected by control of the substrate temperature during and/or after the ion implantation process.

  12. Linear reduction method for predictive and informative tag SNP selection.

    PubMed

    He, Jingwu; Westbrooks, Kelly; Zelikovsky, Alexander

    2005-01-01

    Constructing a complete human haplotype map is helpful when associating complex diseases with their related SNPs. Unfortunately, the number of SNPs is very large and it is costly to sequence many individuals. Therefore, it is desirable to reduce the number of SNPs that should be sequenced to a small number of informative representatives called tag SNPs. In this paper, we propose a new linear algebra-based method for selecting and using tag SNPs. We measure the quality of our tag SNP selection algorithm by comparing actual SNPs with SNPs predicted from selected linearly independent tag SNPs. Our experiments show that for sufficiently long haplotypes, knowing only 0.4% of all SNPs the proposed linear reduction method predicts an unknown haplotype with the error rate below 2% based on 10% of the population.

  13. Formation of Acetylene in the Reaction of Methane with Iron Carbide Cluster Anions FeC3- under High-Temperature Conditions.

    PubMed

    Li, Hai-Fang; Jiang, Li-Xue; Zhao, Yan-Xia; Liu, Qing-Yu; Zhang, Ting; He, Sheng-Gui

    2018-03-01

    The underlying mechanism for non-oxidative methane aromatization remains controversial owing to the lack of experimental evidence for the formation of the first C-C bond. For the first time, the elementary reaction of methane with atomic clusters (FeC 3 - ) under high-temperature conditions to produce C-C coupling products has been characterized by mass spectrometry. With the elevation of temperature from 300 K to 610 K, the production of acetylene, the important intermediate proposed in a monofunctional mechanism of methane aromatization, was significantly enhanced, which can be well-rationalized by quantum chemistry calculations. This study narrows the gap between gas-phase and condensed-phase studies on methane conversion and suggests that the monofunctional mechanism probably operates in non-oxidative methane aromatization. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. A method for the reduction of aerodynamic drag of road vehicles

    NASA Technical Reports Server (NTRS)

    Pamadi, Bandu N.; Taylor, Larry W.; Leary, Terrance O.

    1990-01-01

    A method is proposed for the reduction of the aerodynamic drag of bluff bodies, particularly for application to road transport vehicles. This technique consists of installation of panels on the forward surface of the vehicle facing the airstream. With the help of road tests, it was demonstrated that the attachment of proposed panels can reduce aerodynamic drag of road vehicles and result in significant fuel cost savings and conservation of energy resources.

  15. Fixation of tritium in a highly stable polymer form

    DOEpatents

    Steinberg, Meyer; Colombo, Peter; Pruzansky, Jacob

    1977-01-01

    A method for the fixation of tritium comprising reacting tritiated water with calcium carbide to produce calcium hydroxide and tritiated acetylene, polymerizing the acetylene, and then incorporating the polymer in a solidifying matrix.

  16. Method of controlled reduction of nitroaromatics by enzymatic reaction with oxygen sensitive nitroreductase enzymes

    DOEpatents

    Shah, M.M.; Campbell, J.A.

    1998-07-07

    A method is described for the controlled reduction of nitroaromatic compounds such as nitrobenzene and 2,4,6-trinitrotoluene by enzymatic reaction with oxygen sensitive nitroreductase enzymes, such as ferredoxin NADP oxidoreductase. 6 figs.

  17. Impact of light rail transit on traffic-related pollution and stroke mortality.

    PubMed

    Park, Eun Sug; Sener, Ipek Nese

    2017-09-01

    This paper evaluates the changes in vehicle exhaust and stroke mortality for the general public residing in the surrounding area of the light rail transit (LRT) in Houston, Texas, after its opening. The number of daily deaths due to stroke for 2002-2005 from the surrounding area of the original LRT line (exposure group) and the control groups was analyzed using an interrupted time-series analysis. Ambient concentrations of acetylene before and after the opening of LRT were also compared. A statistically significant reduction in the average concentration of acetylene was observed for the exposure sites whereas the reduction was negligible at the control site. Poisson regression models applied to the stroke mortality data indicated a significant reduction in daily stroke mortality after the opening of LRT for the exposure group, while there was either an increase or a considerably smaller reduction for the control groups. The findings support the idea that LRT systems provide health benefits for the general public and that the reduction in motor-vehicle-related air pollution may have contributed to these health benefits.

  18. A rapid and simple method for estimating sulfate reduction activity and quantifying inorganic sulfides

    USGS Publications Warehouse

    Ulrich, G.A.; Krumholz, L.R.; Suflita, J.M.

    1997-01-01

    A simplified passive extraction procedure for quantifying reduced inorganic sulfur compounds from sediments and water is presented. This method may also be used for the estimation of sulfate reduction rates. Efficient extraction of FeS, FeS(inf2), and S(sup2-) was obtained with this procedure; however, the efficiency for S(sup0) depended on the form that was tested. Passive extraction can be used with samples containing up to 20 mg of reduced sulfur. We demonstrated the utility of this technique in a determination of both sulfate reduction rates and reduced inorganic sulfur pools in marine and freshwater sediments. A side-by-side comparison of the passive extraction method with the established single-step distillation technique yielded comparable results with a fraction of the effort.

  19. Pulsation-based method for reduction of nitrogen oxides content in torch combustion products

    NASA Astrophysics Data System (ADS)

    Berg, I. A.; Porshnev, S. V.; Oshchepkova, V. Y.; Kit, M.

    2018-01-01

    Out of all ways to fuel bum the torch combustion systems is used most often. Even though the processes in the steam boiler are stochastic, the system can be controlled rather easily by changing the flowrate of the air pumped into it and - in case of balanced flue units - exhausters load. Advantages offered by torch-based combustion systems are offset by a disadvantage resulted in oxidation of nitrogen contained in the air. This paper provides rationale for an NOx content reduction method that employs pulsation mode of fuel combustion; it also describes combustion control and monitoring system employed for implementation of this method. Described methodology can be used not only for pulsation combustion studies but also for studies of torches formed by conventional burning systems. The outcome of the experimental study supports the assumption that it is possible to create conditions for NOx content reduction in flue gases by means of cycling the fuel supply on/off valve at the rate of 6 Hz.

  20. Evaluation of the stepwise collimation method for the reduction of the patient dose in full spine radiography

    NASA Astrophysics Data System (ADS)

    Lee, Boram; Lee, Sunyoung; Yang, Injeong; Yoon, Myeonggeun

    2014-05-01

    The purpose of this study is to evaluate the dose reduction when using the stepwise collimation method for scoliosis patients undergoing full spine radiography. A Monte Carlo simulation was carried out to acquire dose vs. volume data for organs at risk (OAR) in the human body. While the effective doses in full spine radiography were reduced by 8, 15, 27 and 44% by using four different sizes of the collimation, the doses to the skin were reduced by 31, 44, 55 and 66%, indicating that the reduction of the dose to the skin is higher than that to organs inside the body. Although the reduction rates were low for the gonad, being 9, 14, 18 and 23%, there was more than a 30% reduction in the dose to the heart, suggesting that the dose reduction depends significantly on the location of the OARs in the human body. The reduction rate of the secondary cancer risk based on the excess absolute risk (EAR) varied from 0.6 to 3.4 per 10,000 persons, depending on the size of the collimation. Our results suggest that the stepwise collimation method in full spine radiography can effectively reduce the patient dose and the radiation-induced secondary cancer risk.

  1. Speckle reduction in optical coherence tomography by adaptive total variation method

    NASA Astrophysics Data System (ADS)

    Wu, Tong; Shi, Yaoyao; Liu, Youwen; He, Chongjun

    2015-12-01

    An adaptive total variation method based on the combination of speckle statistics and total variation restoration is proposed and developed for reducing speckle noise in optical coherence tomography (OCT) images. The statistical distribution of the speckle noise in OCT image is investigated and measured. With the measured parameters such as the mean value and variance of the speckle noise, the OCT image is restored by the adaptive total variation restoration method. The adaptive total variation restoration algorithm was applied to the OCT images of a volunteer's hand skin, which showed effective speckle noise reduction and image quality improvement. For image quality comparison, the commonly used median filtering method was also applied to the same images to reduce the speckle noise. The measured results demonstrate the superior performance of the adaptive total variation restoration method in terms of image signal-to-noise ratio, equivalent number of looks, contrast-to-noise ratio, and mean square error.

  2. Method for Estimating Thread Strength Reduction of Damaged Parent Holes with Inserts

    NASA Technical Reports Server (NTRS)

    Johnson, David L.; Stratton, Troy C.

    2005-01-01

    During normal assembly and disassembly of bolted-joint components, thread damage and/or deformation may occur. If threads are overloaded, thread damage/deformation can also be anticipated. Typical inspection techniques (e.g. using GO-NO GO gages) may not provide adequate visibility of the extent of thread damage. More detailed inspection techniques have provided actual pitch-diameter profiles of damaged-hardware holes. A method to predict the reduction in thread shear-out capacity of damaged threaded holes has been developed. This method was based on testing and analytical modeling. Test samples were machined to simulate damaged holes in the hardware of interest. Test samples containing pristine parent-holes were also manufactured from the same bar-stock material to provide baseline results for comparison purposes. After the particular parent-hole thread profile was machined into each sample a helical insert was installed into the threaded hole. These samples were tested in a specially designed fixture to determine the maximum load required to shear out the parent threads. It was determined from the pristine-hole samples that, for the specific material tested, each individual thread could resist an average load of 3980 pounds. The shear-out loads of the holes having modified pitch diameters were compared to the ultimate loads of the specimens with pristine holes. An equivalent number of missing helical coil threads was then determined based on the ratio of shear-out loads for each thread configuration. These data were compared with the results from a finite element model (FEM). The model gave insights into the ability of the thread loads to redistribute for both pristine and simulated damage configurations. In this case, it was determined that the overall potential reduction in thread load-carrying capability in the hardware of interest was equal to having up to three fewer threads in the hole that bolt threads could engage. One- half of this potential reduction

  3. Wispy Prosthesis: A Novel Method in Denture Weight Reduction.

    PubMed

    Anne, Gopinadh; Budeti, Sreedevi; Anche, Sampath Kumar; Zakkula, Srujana; Atla, Jyothi; Jyothula, Ravi Rakesh Dev; Appana, Krishna Chaitanya; Peddinti, Vijaya Kumar

    2016-04-01

    Stability and retention of the denture becomes at stake with the increase in weight of the denture prosthesis. As a consequence, different materials and methods have been introduced to overcome these issues but denture weight reduction still remains to be a cumbersome and strenuous procedure. To introduce a novel technique for the fabrication of denture prosthesis where in the weight of the denture will not affect the retention and stability of the denture. Four groups with a sample size of 10 each, were included where in one group was control and other three were study groups. The control group samples were made completely solid and the study group samples were packed with materials like bean balls, cellulose balls and polyacrylic fibers. The weight of all the samples of each study group was measured and compared with the control group. The observations were analyzed statistically by paired t-test. It was observed that the bean balls group produced a weight reduction of 31.3%, cellulose balls group 27.4% and polyacrylic fibers group 24.5% when compared to that of the control group. This novel technique will eliminate the problems that were associated in creating hollowness and at the same time will reduce the weight of the prosthesis and among all the study groups, bean balls group were found to reduce maximum weight of the prosthesis.

  4. Some variance reduction methods for numerical stochastic homogenization

    PubMed Central

    Blanc, X.; Le Bris, C.; Legoll, F.

    2016-01-01

    We give an overview of a series of recent studies devoted to variance reduction techniques for numerical stochastic homogenization. Numerical homogenization requires that a set of problems is solved at the microscale, the so-called corrector problems. In a random environment, these problems are stochastic and therefore need to be repeatedly solved, for several configurations of the medium considered. An empirical average over all configurations is then performed using the Monte Carlo approach, so as to approximate the effective coefficients necessary to determine the macroscopic behaviour. Variance severely affects the accuracy and the cost of such computations. Variance reduction approaches, borrowed from other contexts in the engineering sciences, can be useful. Some of these variance reduction techniques are presented, studied and tested here. PMID:27002065

  5. The Equivalence of Information-Theoretic and Likelihood-Based Methods for Neural Dimensionality Reduction

    PubMed Central

    Williamson, Ross S.; Sahani, Maneesh; Pillow, Jonathan W.

    2015-01-01

    Stimulus dimensionality-reduction methods in neuroscience seek to identify a low-dimensional space of stimulus features that affect a neuron’s probability of spiking. One popular method, known as maximally informative dimensions (MID), uses an information-theoretic quantity known as “single-spike information” to identify this space. Here we examine MID from a model-based perspective. We show that MID is a maximum-likelihood estimator for the parameters of a linear-nonlinear-Poisson (LNP) model, and that the empirical single-spike information corresponds to the normalized log-likelihood under a Poisson model. This equivalence implies that MID does not necessarily find maximally informative stimulus dimensions when spiking is not well described as Poisson. We provide several examples to illustrate this shortcoming, and derive a lower bound on the information lost when spiking is Bernoulli in discrete time bins. To overcome this limitation, we introduce model-based dimensionality reduction methods for neurons with non-Poisson firing statistics, and show that they can be framed equivalently in likelihood-based or information-theoretic terms. Finally, we show how to overcome practical limitations on the number of stimulus dimensions that MID can estimate by constraining the form of the non-parametric nonlinearity in an LNP model. We illustrate these methods with simulations and data from primate visual cortex. PMID:25831448

  6. Dosimetric Evaluation of Metal Artefact Reduction using Metal Artefact Reduction (MAR) Algorithm and Dual-energy Computed Tomography (CT) Method

    NASA Astrophysics Data System (ADS)

    Laguda, Edcer Jerecho

    Purpose: Computed Tomography (CT) is one of the standard diagnostic imaging modalities for the evaluation of a patient's medical condition. In comparison to other imaging modalities such as Magnetic Resonance Imaging (MRI), CT is a fast acquisition imaging device with higher spatial resolution and higher contrast-to-noise ratio (CNR) for bony structures. CT images are presented through a gray scale of independent values in Hounsfield units (HU). High HU-valued materials represent higher density. High density materials, such as metal, tend to erroneously increase the HU values around it due to reconstruction software limitations. This problem of increased HU values due to metal presence is referred to as metal artefacts. Hip prostheses, dental fillings, aneurysm clips, and spinal clips are a few examples of metal objects that are of clinical relevance. These implants create artefacts such as beam hardening and photon starvation that distort CT images and degrade image quality. This is of great significance because the distortions may cause improper evaluation of images and inaccurate dose calculation in the treatment planning system. Different algorithms are being developed to reduce these artefacts for better image quality for both diagnostic and therapeutic purposes. However, very limited information is available about the effect of artefact correction on dose calculation accuracy. This research study evaluates the dosimetric effect of metal artefact reduction algorithms on severe artefacts on CT images. This study uses Gemstone Spectral Imaging (GSI)-based MAR algorithm, projection-based Metal Artefact Reduction (MAR) algorithm, and the Dual-Energy method. Materials and Methods: The Gemstone Spectral Imaging (GSI)-based and SMART Metal Artefact Reduction (MAR) algorithms are metal artefact reduction protocols embedded in two different CT scanner models by General Electric (GE), and the Dual-Energy Imaging Method was developed at Duke University. All three

  7. An efficient iterative model reduction method for aeroviscoelastic panel flutter analysis in the supersonic regime

    NASA Astrophysics Data System (ADS)

    Cunha-Filho, A. G.; Briend, Y. P. J.; de Lima, A. M. G.; Donadon, M. V.

    2018-05-01

    The flutter boundary prediction of complex aeroelastic systems is not an easy task. In some cases, these analyses may become prohibitive due to the high computational cost and time associated with the large number of degrees of freedom of the aeroelastic models, particularly when the aeroelastic model incorporates a control strategy with the aim of suppressing the flutter phenomenon, such as the use of viscoelastic treatments. In this situation, the use of a model reduction method is essential. However, the construction of a modal reduction basis for aeroviscoelastic systems is still a challenge, owing to the inherent frequency- and temperature-dependent behavior of the viscoelastic materials. Thus, the main contribution intended for the present study is to propose an efficient and accurate iterative enriched Ritz basis to deal with aeroviscoelastic systems. The main features and capabilities of the proposed model reduction method are illustrated in the prediction of flutter boundary for a thin three-layer sandwich flat panel and a typical aeronautical stiffened panel, both under supersonic flow.

  8. Demonstration of the Feasibility of High Temperature Bearing Lubrication From Carbonaceous Gases

    NASA Technical Reports Server (NTRS)

    Blanchet, Thierry A.; Sawyer, W. Gregory

    1996-01-01

    Research has been conducted on silicon nitride pin-on-disk sliding contacts at temperatures of up to 520 C, and four-ball rolling contacts with silicon nitride balls and 52100 steel or silicon nitride races at 590 C. These tests were conducted in a variety of gaseous environments in order to determine the effects of simulated engine exhaust gas on the carbonaceous gas decomposition lubrication scheme. In rolling tests with steel races and exhaust gas the wear track depth was roughly half that of tests run in nitrogen gas alone. The deposition of lubricous microcrystalline graphitic carbon on the rolling surfaces, generated from the carbon monoxide within the exhaust gas mixture, was verified by microfocused Raman spectroscopy. Ten-fold reductions in rolling wear could be achieved by the exhaust gas atmosphere in cases where water vapor was removed or not present. The exhaust gas mixture alone was not found to provide any lubricating effect on silicon nitride sliding contacts, where the rate of wear greatly exceeds the rate of carbon deposition. Directed admixture of acetylene (as low as 5% of the exhaust gas flow rates), has provided reductions in both wear volume and coefficient of friction by factors of 60X and 20X respectively for sliding contacts during the initial 80 m of sliding distance. Exhaust gas atmosphere with the acetylene admixture provided 65OX reductions in steady state wear rate compared to that measured for sliding contacts in dry N2. Such acetylene admixture also augments the ability of the exhaust gas atmosphere to lubricate high-temperature rolling contacts, with up to 25-fold reductions in wear track depth compared to those measured in the presence of N2 alone. In addition to providing some lubricating benefit itself, an important potential role of the exhaust gas from rich mixtures would be to shield bearings from 02. Such shielding enables surface deposition of lubricous pyrolytic carbon from the acetylene admixture, instead of combustion

  9. Some variance reduction methods for numerical stochastic homogenization.

    PubMed

    Blanc, X; Le Bris, C; Legoll, F

    2016-04-28

    We give an overview of a series of recent studies devoted to variance reduction techniques for numerical stochastic homogenization. Numerical homogenization requires that a set of problems is solved at the microscale, the so-called corrector problems. In a random environment, these problems are stochastic and therefore need to be repeatedly solved, for several configurations of the medium considered. An empirical average over all configurations is then performed using the Monte Carlo approach, so as to approximate the effective coefficients necessary to determine the macroscopic behaviour. Variance severely affects the accuracy and the cost of such computations. Variance reduction approaches, borrowed from other contexts in the engineering sciences, can be useful. Some of these variance reduction techniques are presented, studied and tested here. © 2016 The Author(s).

  10. Error Reduction Methods for Integrated-path Differential-absorption Lidar Measurements

    NASA Technical Reports Server (NTRS)

    Chen, Jeffrey R.; Numata, Kenji; Wu, Stewart T.

    2012-01-01

    We report new modeling and error reduction methods for differential-absorption optical-depth (DAOD) measurements of atmospheric constituents using direct-detection integrated-path differential-absorption lidars. Errors from laser frequency noise are quantified in terms of the line center fluctuation and spectral line shape of the laser pulses, revealing relationships verified experimentally. A significant DAOD bias is removed by introducing a correction factor. Errors from surface height and reflectance variations can be reduced to tolerable levels by incorporating altimetry knowledge and "log after averaging", or by pointing the laser and receiver to a fixed surface spot during each wavelength cycle to shorten the time of "averaging before log".

  11. Introduction of a computer-based method for automated planning of reduction paths under consideration of simulated muscular forces.

    PubMed

    Buschbaum, Jan; Fremd, Rainer; Pohlemann, Tim; Kristen, Alexander

    2017-08-01

    Reduction is a crucial step in the surgical treatment of bone fractures. Finding an optimal path for restoring anatomical alignment is considered technically demanding because collisions as well as high forces caused by surrounding soft tissues can avoid desired reduction movements. The repetition of reduction movements leads to a trial-and-error process which causes a prolonged duration of surgery. By planning an appropriate reduction path-an optimal sequence of target-directed movements-these problems should be overcome. For this purpose, a computer-based method has been developed. Using the example of simple femoral shaft fractures, 3D models are generated out of CT images. A reposition algorithm aligns both fragments by reconstructing their broken edges. According to the criteria of a deduced planning strategy, a modified A*-algorithm searches collision-free route of minimal force from the dislocated into the computed target position. Muscular forces are considered using a musculoskeletal reduction model (OpenSim model), and bone collisions are detected by an appropriate method. Five femoral SYNBONE models were broken into different fracture classification types and were automatically reduced from ten randomly selected displaced positions. Highest mean translational and rotational error for achieving target alignment is [Formula: see text] and [Formula: see text]. Mean value and standard deviation of occurring forces are [Formula: see text] for M. tensor fasciae latae and [Formula: see text] for M. semitendinosus over all trials. These pathways are precise, collision-free, required forces are minimized, and thus regarded as optimal paths. A novel method for planning reduction paths under consideration of collisions and muscular forces is introduced. The results deliver additional knowledge for an appropriate tactical reduction procedure and can provide a basis for further navigated or robotic-assisted developments.

  12. A Geometric Method for Model Reduction of Biochemical Networks with Polynomial Rate Functions.

    PubMed

    Samal, Satya Swarup; Grigoriev, Dima; Fröhlich, Holger; Weber, Andreas; Radulescu, Ovidiu

    2015-12-01

    Model reduction of biochemical networks relies on the knowledge of slow and fast variables. We provide a geometric method, based on the Newton polytope, to identify slow variables of a biochemical network with polynomial rate functions. The gist of the method is the notion of tropical equilibration that provides approximate descriptions of slow invariant manifolds. Compared to extant numerical algorithms such as the intrinsic low-dimensional manifold method, our approach is symbolic and utilizes orders of magnitude instead of precise values of the model parameters. Application of this method to a large collection of biochemical network models supports the idea that the number of dynamical variables in minimal models of cell physiology can be small, in spite of the large number of molecular regulatory actors.

  13. Enhancing maximum measurable sound reduction index using sound intensity method and strong receiving room absorption.

    PubMed

    Hongisto, V; Lindgren, M; Keränen, J

    2001-01-01

    The sound intensity method is usually recommended instead of the pressure method in the presence of strong flanking transmission. Especially when small and/or heavy specimens are tested, the flanking often causes problems in laboratories practicing only the pressure method. The purpose of this study was to determine experimentally the difference between the maximum sound reduction indices obtained by the intensity method, RI,max, and by the pressure method, Rmax. In addition, the influence of adding room absorption to the receiving room was studied. The experiments were carried out in an ordinary two-room test laboratory. The exact value of RI,max was estimated by applying a fitting equation to the measured data points. The fitting equation involved the dependence of the pressure-intensity indicator on measured acoustical parameters. In an empty receiving room, the difference between RI,max and Rmax was 4-15 dB, depending on frequency. When the average reverberation time was reduced from 3.5 to 0.6 s, the values of RI,max increased by 2-10 dB compared to the results in the empty room. Thus, it is possible to measure wall structures having 9-22 dB better sound reduction index using the intensity method than with the pressure method. This facilitates the measurements of small and/or heavy specimens in the presence of flanking. Moreover, when new laboratories are designed, the intensity method is an alternative to the pressure method which presupposes expensive isolation structures between the rooms.

  14. Ochratoxin A reduction in meat sausages using processing methods practiced in households.

    PubMed

    Pleadin, Jelka; Perši, Nina; Kovačević, Dragan; Vulić, Ana; Frece, Jadranka; Markov, Ksenija

    2014-01-01

    The aim of this study was to investigate the possibilities of ochratoxin A (OTA) reduction in home-made meat products. Meat sausages (n = 50) produced from raw materials coming from pigs exposed to OTA-contaminated feed, were subject to common heat processes practiced in households (cooking, frying and baking). Concentrations of OTA in pre- and post-processed products were quantified using a validated immunoassay method, enzyme-linked immunosorbent assay, and confirmed using a high-performance liquid chromatography with fluorescence detection. In line with the differences in recipes used and the degree of OTA accumulation in raw materials, OTA concentrations established in Mediterranean and roast sausages were lower than those found in liver and blood sausages. Baking of contaminated sausages at the temperatures of 190-220°C (for 60 min) resulted in significant reduction of OTA levels (75.8%), while 30-min cooking (at 100°C) and frying (at 170°C) proved to be significantly less effective (e.g. yielding OTA reductions of 7.4% and 12.6%, respectively). The results pointed out that despite high OTA stability, heat processes are capable of reducing its concentration in home-made meat products, depending on the processing modality used.

  15. Evaluation of SSME test data reduction methods

    NASA Technical Reports Server (NTRS)

    Santi, L. Michael

    1994-01-01

    Accurate prediction of hardware and flow characteristics within the Space Shuttle Main Engine (SSME) during transient and main-stage operation requires a significant integration of ground test data, flight experience, and computational models. The process of integrating SSME test measurements with physical model predictions is commonly referred to as data reduction. Uncertainties within both test measurements and simplified models of the SSME flow environment compound the data integration problem. The first objective of this effort was to establish an acceptability criterion for data reduction solutions. The second objective of this effort was to investigate the data reduction potential of the ROCETS (Rocket Engine Transient Simulation) simulation platform. A simplified ROCETS model of the SSME was obtained from the MSFC Performance Analysis Branch . This model was examined and tested for physical consistency. Two modules were constructed and added to the ROCETS library to independently check the mass and energy balances of selected engine subsystems including the low pressure fuel turbopump, the high pressure fuel turbopump, the low pressure oxidizer turbopump, the high pressure oxidizer turbopump, the fuel preburner, the oxidizer preburner, the main combustion chamber coolant circuit, and the nozzle coolant circuit. A sensitivity study was then conducted to determine the individual influences of forty-two hardware characteristics on fourteen high pressure region prediction variables as returned by the SSME ROCETS model.

  16. Effect of in situ pyrolysis of acetylene (C2H2) gas as a carbon source on the electrochemical performance of LiFePO4 for rechargeable lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Saroha, Rakesh; Panwar, Amrish K.

    2017-06-01

    The intention of this work is to study the effect of in situ pyrolysis of acetylene (C2H2) gas used as a carbon source on the physicochemical and electrochemical performance of pristine LiFePO4 (LFP). Acetylene gas, which decomposed to carbon and methane along with some side products when exposed to high temperature (>625 °C), is used as a carbon source for coating over the surface of LFP particles. Thermogravimetric (TGA) measurements were performed in an air atmosphere, primarily to estimate the exact amount of carbon deposited on the surface of the olivine cathode material due to the decomposition of C2H2 gas. Raman and TGA results confirm the presence of carbon as coated on the surface of the prepared compositions. Among all the synthesized samples, LFP with 10 min C2H2 treatment (LFPC10) shows the highest discharge capacity at all C-rates and exhibits excellent rate performance. LFPC10 delivers a specific discharge capacity of 144 (±5) mAh g-1 (~85% of the theoretical capacity of 170 mAh g-1) at 0.1C rate. LFPC10 demonstrates the best cycling performance as it offers an initial discharge capacity of about 117 (±5) mAh g-1 (~69% of the theoretical capacity) at 1C-rate and has 97% capacity retention even after 100 charge/discharge cycles.

  17. Triel Bonds, π-Hole-π-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene.

    PubMed

    Grabowski, Sławomir J

    2015-06-19

    MP2/aug-cc-pVTZ calculations were performed on complexes of aluminium and boron trihydrides and trihalides with acetylene and ethylene. These complexes are linked through triel bonds where the triel center (B or Al) is characterized by the Lewis acid properties through its π-hole region while π-electrons of C2H2 or C2H4 molecule play the role of the Lewis base. Some of these interactions possess characteristics of covalent bonds, i.e., the Al-π-electrons links as well as the interaction in the BH3-C2H2 complex. The triel-π-electrons interactions are classified sometimes as the 3c-2e bonds. In the case of boron trihydrides, these interactions are often the preliminary stages of the hydroboration reaction. The Quantum Theory of "Atoms in Molecules" as well as the Natural Bond Orbitals approach are applied here to characterize the π-hole-π-electrons interactions.

  18. [An easy, safe and affective method for the treatment of intussusception: ultrasound-guided hydrostatic reduction].

    PubMed

    Ülger, Fatma Esra Bahadır; Ülger, Aykut; Karakaya, Ali Erdal; Tüten, Fatih; Katı, Ömer; Çolak, Mustafa

    2014-03-01

    Intussusception is one of the important causes of intestinal obstruction in children. Hydrostatic reduction under ultrasound guidance is a popular treatment method for intussusception. In the present study, we aimed to explain the demographic characteristics of and treatment approaches in patients diagnosed with intussusception by ultrasound. Forty-one patients diagnosed with intussusception by ultrasound between August 2011 and May 2013 were retrospectively analyzed. Twenty-four of these patients who had no contraindications had been treated with ultrasound-guided hydrostatic reduction. Twenty-four of the patients were male and 17 were female, a 1.4/1 male-to-female ratio. The majority of the patients were between the ages of 6-24 months and 2-5 years. The mean age was 31.12±26.32 months (range 3-125). Patients were more frequently diagnosed in April and May. Seventeen patients who had clinical contraindications enrolled directly for surgery. In 20 of the 24 patients who underwent ultrasound-guided hydrostatic reduction, reduction was achieved. Three experienced recurrence. In two of these patients, successful reduction was achieved with the second attempt. The remaining patient was enrolled for surgery. Hydrostatic reduction was performed 26 times on these 24 patients, and in 22, success was achieved (84.6%). No procedure-related complications occurred in the patients. Ultrasound-guided hydrostatic reduction, with its high success rates and lack of radiation risk, should be the first choice therapeutic approach for children diagnosed with intussusception.

  19. Screw-Wire Osteo-Traction: An Adjunctive or Alternative Method of Anatomical Reduction of Multisegment Midfacial Fractures? A Description of Technique and Prospective Study of 40 Patients

    PubMed Central

    O'Regan, Barry; Devine, Maria; Bhopal, Sats

    2013-01-01

    Stable anatomical fracture reduction and segment control before miniplate fixation can be difficult to achieve in comminuted midfacial fractures. Fracture mobilization and reduction methods include Gillies elevation, malar hook, and Dingman elevators. No single method is used universally. Disadvantages include imprecise segment alignment and poor segment stability/control. We have employed screw-wire osteo-traction (SWOT) to address this problem. A literature review revealed two published reports. The aims were to evaluate the SWOT technique effectiveness as a fracture reduction method and to examine rates of revision fixation and plate removal. We recruited 40 consecutive patients requiring open reduction and internal fixation of multisegment midfacial fractures (2009–2012) and employed miniplate osteosynthesis in all patients. SWOT was used as a default reduction method in all patients. The rates of successful fracture reduction achieved by SWOT alone or in combination and of revision fixation and plate removal, were used as outcome indices of the reduction method effectiveness. The SWOT technique achieved satisfactory anatomical reduction in 27/40 patients when used alone. Other reduction methods were also used in 13/40 patients. No patient required revision fixation and three patients required late plate removal. SWOT can be used across the midface fracture pattern in conjunction with other methods or as a sole reduction method before miniplate fixation. PMID:24436763

  20. Oxy-acetylene driven laboratory scale shock tubes for studying blast wave effects

    NASA Astrophysics Data System (ADS)

    Courtney, Amy C.; Andrusiv, Lubov P.; Courtney, Michael W.

    2012-04-01

    This paper describes the development and characterization of modular, oxy-acetylene driven laboratory scale shock tubes. Such tools are needed to produce realistic blast waves in a laboratory setting. The pressure-time profiles measured at 1 MHz using high-speed piezoelectric pressure sensors have relevant durations and show a true shock front and exponential decay characteristic of free-field blast waves. Descriptions are included for shock tube diameters of 27-79 mm. A range of peak pressures from 204 kPa to 1187 kPa (with 0.5-5.6% standard error of the mean) were produced by selection of the driver section diameter and distance from the shock tube opening. The peak pressures varied predictably with distance from the shock tube opening while maintaining both a true blast wave profile and relevant pulse duration for distances up to about one diameter from the shock tube opening. This shock tube design provides a more realistic blast profile than current compression-driven shock tubes, and it does not have a large jet effect. In addition, operation does not require specialized personnel or facilities like most blast-driven shock tubes, which reduces operating costs and effort and permits greater throughput and accessibility. It is expected to be useful in assessing the response of various sensors to shock wave loading; assessing the reflection, transmission, and absorption properties of candidate armor materials; assessing material properties at high rates of loading; assessing the response of biological materials to shock wave exposure; and providing a means to validate numerical models of the interaction of shock waves with structures. All of these activities have been difficult to pursue in a laboratory setting due in part to lack of appropriate means to produce a realistic blast loading profile.

  1. Methods of Sparse Modeling and Dimensionality Reduction to Deal with Big Data

    DTIC Science & Technology

    2015-04-01

    supervised learning (c). Our framework consists of two separate phases: (a) first find an initial space in an unsupervised manner; then (b) utilize label...model that can learn thousands of topics from a large set of documents and infer the topic mixture of each document, 2) a supervised dimension reduction...model that can learn thousands of topics from a large set of documents and infer the topic mixture of each document, (i) a method of supervised

  2. Synthesis of Supported Pd 0 Nanoparticles from a Single-Site Pd 2+ Surface Complex by Alkene Reduction

    DOE PAGES

    Mouat, Aidan R.; Whitford, Cassandra L.; Chen, Bor-Rong; ...

    2018-02-02

    Here, a surface metal–organic complex, (-AlO x)Pd(acac) (acac = acetylacetonate), is prepared by chemically grafting the precursor Pd(acac) 2 onto γ-Al 2O 3 in toluene at 25 °C. The resulting surface complex is characterized by inductively coupled plasma atomic emission spectroscopy (ICP-AES), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and dynamic nuclear polarization surface-enhanced solid-state nuclear magnetic resonance spectroscopy (DNP SENS). This surface complex is a precursor in the direct synthesis of size-controlled Pd nanoparticles under mild reductive conditions and in the absence of additional stabilizers or pretreatments. Indeed, upon exposure to gaseous ethylene or liquid 1-octene at 25more » °C, the Pd 2+ species is reduced to form Pd 0 nanoparticles with a mean diameter of 4.3 ± 0.6 nm, as determined by scanning transmission electron microscopy (STEM). These nanoparticles are catalytically relevant using the aerobic 1-phenylethanol oxidation as a probe reaction, with rates comparable to a conventional Pd/Al 2O 3 catalyst but without an induction period. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature-programmed reaction mass spectrometry (TPR-MS) reveal that the surface complex reduction with ethylene coproduces H 2, acetylene, and 1,3-butadiene. This process reasonably proceeds via an olefin activation/coordination/insertion pathway, followed by β-hydride elimination to generate free Pd 0. Lastly, the well-defined nature of the single-site supported Pd 2+ precursor provides direct mechanistic insights into this unusual and likely general reductive process.« less

  3. Synthesis of Supported Pd 0 Nanoparticles from a Single-Site Pd 2+ Surface Complex by Alkene Reduction

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

    Mouat, Aidan R.; Whitford, Cassandra L.; Chen, Bor-Rong

    Here, a surface metal–organic complex, (-AlO x)Pd(acac) (acac = acetylacetonate), is prepared by chemically grafting the precursor Pd(acac) 2 onto γ-Al 2O 3 in toluene at 25 °C. The resulting surface complex is characterized by inductively coupled plasma atomic emission spectroscopy (ICP-AES), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and dynamic nuclear polarization surface-enhanced solid-state nuclear magnetic resonance spectroscopy (DNP SENS). This surface complex is a precursor in the direct synthesis of size-controlled Pd nanoparticles under mild reductive conditions and in the absence of additional stabilizers or pretreatments. Indeed, upon exposure to gaseous ethylene or liquid 1-octene at 25more » °C, the Pd 2+ species is reduced to form Pd 0 nanoparticles with a mean diameter of 4.3 ± 0.6 nm, as determined by scanning transmission electron microscopy (STEM). These nanoparticles are catalytically relevant using the aerobic 1-phenylethanol oxidation as a probe reaction, with rates comparable to a conventional Pd/Al 2O 3 catalyst but without an induction period. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature-programmed reaction mass spectrometry (TPR-MS) reveal that the surface complex reduction with ethylene coproduces H 2, acetylene, and 1,3-butadiene. This process reasonably proceeds via an olefin activation/coordination/insertion pathway, followed by β-hydride elimination to generate free Pd 0. Lastly, the well-defined nature of the single-site supported Pd 2+ precursor provides direct mechanistic insights into this unusual and likely general reductive process.« less

  4. Analytical method for optimal source reduction with monitored natural attenuation in contaminated aquifers

    USGS Publications Warehouse

    Widdowson, M.A.; Chapelle, F.H.; Brauner, J.S.; ,

    2003-01-01

    A method is developed for optimizing monitored natural attenuation (MNA) and the reduction in the aqueous source zone concentration (??C) required to meet a site-specific regulatory target concentration. The mathematical model consists of two one-dimensional equations of mass balance for the aqueous phase contaminant, to coincide with up to two distinct zones of transformation, and appropriate boundary and intermediate conditions. The solution is written in terms of zone-dependent Peclet and Damko??hler numbers. The model is illustrated at a chlorinated solvent site where MNA was implemented following source treatment using in-situ chemical oxidation. The results demonstrate that by not taking into account a variable natural attenuation capacity (NAC), a lower target ??C is predicted, resulting in unnecessary source concentration reduction and cost with little benefit to achieving site-specific remediation goals.

  5. A dimension reduction method for flood compensation operation of multi-reservoir system

    NASA Astrophysics Data System (ADS)

    Jia, B.; Wu, S.; Fan, Z.

    2017-12-01

    Multiple reservoirs cooperation compensation operations coping with uncontrolled flood play vital role in real-time flood mitigation. This paper come up with a reservoir flood compensation operation index (ResFCOI), which formed by elements of flood control storage, flood inflow volume, flood transmission time and cooperation operations period, then establish a flood cooperation compensation operations model of multi-reservoir system, according to the ResFCOI to determine a computational order of each reservoir, and lastly the differential evolution algorithm is implemented for computing single reservoir flood compensation optimization in turn, so that a dimension reduction method is formed to reduce computational complexity. Shiguan River Basin with two large reservoirs and an extensive uncontrolled flood area, is used as a case study, results show that (a) reservoirs' flood discharges and the uncontrolled flood are superimposed at Jiangjiaji Station, while the formed flood peak flow is as small as possible; (b) cooperation compensation operations slightly increase in usage of flood storage capacity in reservoirs, when comparing to rule-based operations; (c) it takes 50 seconds in average when computing a cooperation compensation operations scheme. The dimension reduction method to guide flood compensation operations of multi-reservoir system, can make each reservoir adjust its flood discharge strategy dynamically according to the uncontrolled flood magnitude and pattern, so as to mitigate the downstream flood disaster.

  6. A novel hybrid scattering order-dependent variance reduction method for Monte Carlo simulations of radiative transfer in cloudy atmosphere

    NASA Astrophysics Data System (ADS)

    Wang, Zhen; Cui, Shengcheng; Yang, Jun; Gao, Haiyang; Liu, Chao; Zhang, Zhibo

    2017-03-01

    We present a novel hybrid scattering order-dependent variance reduction method to accelerate the convergence rate in both forward and backward Monte Carlo radiative transfer simulations involving highly forward-peaked scattering phase function. This method is built upon a newly developed theoretical framework that not only unifies both forward and backward radiative transfer in scattering-order-dependent integral equation, but also generalizes the variance reduction formalism in a wide range of simulation scenarios. In previous studies, variance reduction is achieved either by using the scattering phase function forward truncation technique or the target directional importance sampling technique. Our method combines both of them. A novel feature of our method is that all the tuning parameters used for phase function truncation and importance sampling techniques at each order of scattering are automatically optimized by the scattering order-dependent numerical evaluation experiments. To make such experiments feasible, we present a new scattering order sampling algorithm by remodeling integral radiative transfer kernel for the phase function truncation method. The presented method has been implemented in our Multiple-Scaling-based Cloudy Atmospheric Radiative Transfer (MSCART) model for validation and evaluation. The main advantage of the method is that it greatly improves the trade-off between numerical efficiency and accuracy order by order.

  7. Double stellate tongue reduction: a new method of treatment for macroglossia in patients with Beckwith-wiedemann syndrome.

    PubMed

    Hettinger, Patrick C; Denny, Arlen D

    2011-09-01

    Although multiple methods of tongue reduction have been described, recent literature suggests that the central reductions may be more favorable in patients with Beckwith-Wiedemann syndrome (BWS). In this case series, we review our experience with macroglossia associated with BWS, and we offer a new technique of central tongue reduction. Between 1993 and 2007, a retrospective chart review was conducted to include all patients with a diagnosis of BWS who have undergone stellate or double stellate tongue reduction at the Children's Hospital of Wisconsin. A total of 7 patients met all inclusion criteria. All patients had good tongue mobility at 1-year follow-up. One patient required speech therapy for persistent articulation errors postoperatively. A total of 2 patients required secondary procedures for recurrent macroglossia. There were no complaints of abnormal taste or sensation. The stellate and double stellate tongue reductions provide effective treatment in macroglossia associated with BWS.

  8. QUADRO: A SUPERVISED DIMENSION REDUCTION METHOD VIA RAYLEIGH QUOTIENT OPTIMIZATION

    PubMed Central

    Fan, Jianqing; Ke, Zheng Tracy; Liu, Han; Xia, Lucy

    2016-01-01

    We propose a novel Rayleigh quotient based sparse quadratic dimension reduction method—named QUADRO (Quadratic Dimension Reduction via Rayleigh Optimization)—for analyzing high-dimensional data. Unlike in the linear setting where Rayleigh quotient optimization coincides with classification, these two problems are very different under nonlinear settings. In this paper, we clarify this difference and show that Rayleigh quotient optimization may be of independent scientific interests. One major challenge of Rayleigh quotient optimization is that the variance of quadratic statistics involves all fourth cross-moments of predictors, which are infeasible to compute for high-dimensional applications and may accumulate too many stochastic errors. This issue is resolved by considering a family of elliptical models. Moreover, for heavy-tail distributions, robust estimates of mean vectors and covariance matrices are employed to guarantee uniform convergence in estimating non-polynomially many parameters, even though only the fourth moments are assumed. Methodologically, QUADRO is based on elliptical models which allow us to formulate the Rayleigh quotient maximization as a convex optimization problem. Computationally, we propose an efficient linearized augmented Lagrangian method to solve the constrained optimization problem. Theoretically, we provide explicit rates of convergence in terms of Rayleigh quotient under both Gaussian and general elliptical models. Thorough numerical results on both synthetic and real datasets are also provided to back up our theoretical results. PMID:26778864

  9. Importance sampling variance reduction for the Fokker–Planck rarefied gas particle method

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

    Collyer, B.S., E-mail: benjamin.collyer@gmail.com; London Mathematical Laboratory, 14 Buckingham Street, London WC2N 6DF; Connaughton, C.

    The Fokker–Planck approximation to the Boltzmann equation, solved numerically by stochastic particle schemes, is used to provide estimates for rarefied gas flows. This paper presents a variance reduction technique for a stochastic particle method that is able to greatly reduce the uncertainty of the estimated flow fields when the characteristic speed of the flow is small in comparison to the thermal velocity of the gas. The method relies on importance sampling, requiring minimal changes to the basic stochastic particle scheme. We test the importance sampling scheme on a homogeneous relaxation, planar Couette flow and a lid-driven-cavity flow, and find thatmore » our method is able to greatly reduce the noise of estimated quantities. Significantly, we find that as the characteristic speed of the flow decreases, the variance of the noisy estimators becomes independent of the characteristic speed.« less

  10. Robust Derivation of Risk Reduction Strategies

    NASA Technical Reports Server (NTRS)

    Richardson, Julian; Port, Daniel; Feather, Martin

    2007-01-01

    Effective risk reduction strategies can be derived mechanically given sufficient characterization of the risks present in the system and the effectiveness of available risk reduction techniques. In this paper, we address an important question: can we reliably expect mechanically derived risk reduction strategies to be better than fixed or hand-selected risk reduction strategies, given that the quantitative assessment of risks and risk reduction techniques upon which mechanical derivation is based is difficult and likely to be inaccurate? We consider this question relative to two methods for deriving effective risk reduction strategies: the strategic method defined by Kazman, Port et al [Port et al, 2005], and the Defect Detection and Prevention (DDP) tool [Feather & Cornford, 2003]. We performed a number of sensitivity experiments to evaluate how inaccurate knowledge of risk and risk reduction techniques affect the performance of the strategies computed by the Strategic Method compared to a variety of alternative strategies. The experimental results indicate that strategies computed by the Strategic Method were significantly more effective than the alternative risk reduction strategies, even when knowledge of risk and risk reduction techniques was very inaccurate. The robustness of the Strategic Method suggests that its use should be considered in a wide range of projects.

  11. Synthesis and spectroscopic characterization of gold nanobipyramids prepared by a chemical reduction method

    NASA Astrophysics Data System (ADS)

    Thanh Ngo, Vo Ke; Phat Huynh, Trong; Giang Nguyen, Dang; Phuong Uyen Nguyen, Hoang; Lam, Quang Vinh; Dat Huynh, Thanh

    2015-12-01

    Gold nanobipyramids (NBPs) have attracted much attention because they have potential for applications in smart sensing devices, such as medical diagnostic equippments. This is due to the fact that they show more advantageous plasmonic properties than other gold nanostructures. We describe a chemical reduction method for synthesizing NBPs using conventional heating with ascorbic acid reduction and cetyltrimethylamonium bromide (CTAB) + AgNO3 as capping agents. The product was characterized by ultraviolet-visible spectroscopy (UV-vis), Fourier transmission infrared spectroscopy (FTIR), transmission electron microscopy (TEM), x-ray powder diffraction (XRD). The results showed that gold nanoparticles were formed with bipyramid shape (tip-to-tip distance of 88.4 ± 9.4 nm and base length of 29.9 ± 3.2 nm) and face-centered-cubic crystalline structure. Optimum parameters for preparation of NBPs are also found.

  12. A complex noise reduction method for improving visualization of SD-OCT skin biomedical images

    NASA Astrophysics Data System (ADS)

    Myakinin, Oleg O.; Zakharov, Valery P.; Bratchenko, Ivan A.; Kornilin, Dmitry V.; Khramov, Alexander G.

    2014-05-01

    In this paper we consider the original method of solving noise reduction problem for visualization's quality improvement of SD-OCT skin and tumors biomedical images. The principal advantages of OCT are high resolution and possibility of in vivo analysis. We propose a two-stage algorithm: 1) process of raw one-dimensional A-scans of SD-OCT and 2) remove a noise from the resulting B(C)-scans. The general mathematical methods of SD-OCT are unstable: if the noise of the CCD is 1.6% of the dynamic range then result distortions are already 25-40% of the dynamic range. We use at the first stage a resampling of A-scans and simple linear filters to reduce the amount of data and remove the noise of the CCD camera. The efficiency, improving productivity and conservation of the axial resolution when using this approach are showed. At the second stage we use an effective algorithms based on Hilbert-Huang Transform for more accurately noise peaks removal. The effectiveness of the proposed approach for visualization of malignant and benign skin tumors (melanoma, BCC etc.) and a significant improvement of SNR level for different methods of noise reduction are showed. Also in this study we consider a modification of this method depending of a specific hardware and software features of used OCT setup. The basic version does not require any hardware modifications of existing equipment. The effectiveness of proposed method for 3D visualization of tissues can simplify medical diagnosis in oncology.

  13. Valuing Drinking Water Risk Reductions Using the Contingent Valuation Method: A Methodological Study of Risks from THM and Giardia (1986)

    EPA Pesticide Factsheets

    This study develops contingent valuation methods for measuring the benefits of mortality and morbidity drinking water risk reductions. The major effort was devoted to developing and testing a survey instrument to value low-level risk reductions.

  14. Assessment of methods for methyl iodide emission reduction and pest control using a simulation model

    NASA Astrophysics Data System (ADS)

    Luo, Lifang; Ashworth, Daniel J.; Šimunek, Jirka; Xuan, Richeng; Yates, Scott R.

    2013-02-01

    The increasing registration of the fumigant methyl iodide within the USA has led to more concerns about its toxicity to workers and bystanders. Emission mitigation strategies are needed to protect the public and environmental health while providing effective pest control. The effectiveness of various methods on emissions reduction and pest control was assessed using a process-based mathematical model in this study. Firstly, comparisons between the simulated and laboratory measured emission fluxes and cumulative emissions were made for methyl iodide (MeI) under four emission reduction treatments: 1) control, 2) using soil with high organic matter content (HOM), 3) being covered by virtually impermeable film (VIF), and 4) irrigating soil surface following fumigation (Irrigation). Then the model was extended to simulate a broader range of emission reduction strategies for MeI, including 5) being covered by high density polyethylene (HDPE), 6) increasing injection depth from 30 cm to 46 cm (Deep), 7) HDPE + Deep, 8) adding a reagent at soil surface (Reagent), 9) Reagent + Irrigation, and 10) Reagent + HDPE. Furthermore, the survivability of three types of soil-borne pests (citrus nematodes [Tylenchulus semipenetrans], barnyard seeds [Echinochloa crus-galli], fungi [Fusarium oxysporum]) was also estimated for each scenario. Overall, the trend of the measured emission fluxes as well as total emission were reasonably reproduced by the model for treatments 1 through 4. Based on the numerical simulation, the ranking of effectiveness in total emission reduction was VIF (82.4%) > Reagent + HDPE (73.2%) > Reagent + Irrigation (43.0%) > Reagent (23.5%) > Deep + HDPE (19.3%) > HOM (17.6%) > Deep (13.0%) > Irrigation (11.9%) > HDPE (5.8%). The order for pest control efficacy suggests, VIF had the highest pest control efficacy, followed by Deep + HDPE, Irrigation, Reagent + Irrigation, HDPE, Deep, Reagent + HDPE, Reagent, and HOM. Therefore, VIF is the optimal method disregarding

  15. An Ideal Molecular Sieve for Acetylene Removal from Ethylene with Record Selectivity and Productivity.

    PubMed

    Li, Bin; Cui, Xili; O'Nolan, Daniel; Wen, Hui-Min; Jiang, Mengdie; Krishna, Rajamani; Wu, Hui; Lin, Rui-Biao; Chen, Yu-Sheng; Yuan, Daqiang; Xing, Huabin; Zhou, Wei; Ren, Qilong; Qian, Guodong; Zaworotko, Michael J; Chen, Banglin

    2017-12-01

    Realization of ideal molecular sieves, in which the larger gas molecules are completely blocked without sacrificing high adsorption capacities of the preferred smaller gas molecules, can significantly reduce energy costs for gas separation and purification and thus facilitate a possible technological transformation from the traditional energy-intensive cryogenic distillation to the energy-efficient, adsorbent-based separation and purification in the future. Although extensive research endeavors are pursued to target ideal molecular sieves among diverse porous materials, over the past several decades, ideal molecular sieves for the separation and purification of light hydrocarbons are rarely realized. Herein, an ideal porous material, SIFSIX-14-Cu-i (also termed as UTSA-200), is reported with ultrafine tuning of pore size (3.4 Å) to effectively block ethylene (C 2 H 4 ) molecules but to take up a record-high amount of acetylene (C 2 H 2 , 58 cm 3 cm -3 under 0.01 bar and 298 K). The material therefore sets up new benchmarks for both the adsorption capacity and selectivity, and thus provides a record purification capacity for the removal of trace C 2 H 2 from C 2 H 4 with 1.18 mmol g -1 C 2 H 2 uptake capacity from a 1/99 C 2 H 2 /C 2 H 4 mixture to produce 99.9999% pure C 2 H 4 (much higher than the acceptable purity of 99.996% for polymer-grade C 2 H 4 ), as demonstrated by experimental breakthrough curves. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Synthesis, characterization, and hydrogen uptake studies of magnesium nanoparticles by solution reduction method

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

    Rather, Sami ullah, E-mail: rathersami@gmail.com

    2014-12-15

    Graphical abstract: X-ray diffraction (XRD) pattern of magnesium nanoparticles synthesized by solution reduction method with and without TOPO. - Highlights: • Simple and convenient method of preparing Mg nanoparticles. • Characterized by XRD, SEM, FESEM and TEM. • Trioctylphosphine oxide offers a greater control over the size of the particles. • Hydrogen uptake of samples at different temperatures and pressure of 4.5 MPa. - Abstract: Facile and simple, surfactant-mediated solution reduction method was used to synthesize monodisperse magnesium nanoparticles. Little amount of magnesium oxide nanoparticles were also formed due to the presence of TOPO and easy oxidation of magnesium, eventhough,more » all precautions were taken to avoid oxidation of the sample. Precise size control of particles was achieved by carefully varying the concentration ratio of two different types of surfactants, – trioctylphosphine oxide and hexadecylamine. Recrystallized magnesium nanoparticle samples with and without TOPO were analyzed by X-ray diffraction, scanning electron microscope, field emission scanning electron microscope, and transmission electron microscope. The peak diameters of particles were estimated from size distribution analysis of the morphological data. The particles synthesized in the presence and absence of TOPO found to have diameters 46.5 and 34.8 nm, respectively. This observed dependence of particle size on the presence of TOPO offers a convenient method to control the particle size by simply using appropriate surfactant concentrations. Exceptional enhancement in hydrogen uptake and kinetics in synthesized magnesium nanoparticles as compared to commercial magnesium sample was due to the smaller particle size and improved morphology. Overall hydrogen uptake not affected by the little variation in particle size with and without TOPO.« less

  17. ACETYLENE INHIBITION OF TRICHLOROETHENE AND VINYL CHLORIDE REDUCTIVE DECHLORINATION. (R828772)

    EPA Science Inventory

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  18. SU-E-T-329: Dosimetric Impact of Implementing Metal Artifact Reduction Methods and Metal Energy Deposition Kernels for Photon Dose Calculations

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

    Huang, J; Followill, D; Howell, R

    2015-06-15

    Purpose: To investigate two strategies for reducing dose calculation errors near metal implants: use of CT metal artifact reduction methods and implementation of metal-based energy deposition kernels in the convolution/superposition (C/S) method. Methods: Radiochromic film was used to measure the dose upstream and downstream of titanium and Cerrobend implants. To assess the dosimetric impact of metal artifact reduction methods, dose calculations were performed using baseline, uncorrected images and metal artifact reduction Methods: Philips O-MAR, GE’s monochromatic gemstone spectral imaging (GSI) using dual-energy CT, and GSI imaging with metal artifact reduction software applied (MARs).To assess the impact of metal kernels, titaniummore » and silver kernels were implemented into a commercial collapsed cone C/S algorithm. Results: The CT artifact reduction methods were more successful for titanium than Cerrobend. Interestingly, for beams traversing the metal implant, we found that errors in the dimensions of the metal in the CT images were more important for dose calculation accuracy than reduction of imaging artifacts. The MARs algorithm caused a distortion in the shape of the titanium implant that substantially worsened the calculation accuracy. In comparison to water kernel dose calculations, metal kernels resulted in better modeling of the increased backscatter dose at the upstream interface but decreased accuracy directly downstream of the metal. We also found that the success of metal kernels was dependent on dose grid size, with smaller calculation voxels giving better accuracy. Conclusion: Our study yielded mixed results, with neither the metal artifact reduction methods nor the metal kernels being globally effective at improving dose calculation accuracy. However, some successes were observed. The MARs algorithm decreased errors downstream of Cerrobend by a factor of two, and metal kernels resulted in more accurate backscatter dose upstream of metals

  19. Identification of crystalline structures in jet-cooled acetylene large clusters studied by two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Matsumoto, Yoshiteru; Yoshiura, Ryuto; Honma, Kenji

    2017-07-01

    We investigated the crystalline structures of jet-cooled acetylene (C2H2) large clusters by laser spectroscopy and chemometrics. The CH stretching vibrations of the C2H2 large clusters were observed by infrared (IR) cavity ringdown spectroscopy. The IR spectra of C2H2 clusters were measured under the conditions of various concentrations of C2H2/He mixture gas for supersonic jets. Upon increasing the gas concentration from 1% to 10%, we observed a rapid intensity enhancement for a band in the IR spectra. The strong dependence of the intensity on the gas concentration indicates that the band was assigned to CH stretching vibrations of the large clusters. An analysis of the IR spectra by two-dimensional correlation spectroscopy revealed that the IR absorption due to the C2H2 large cluster is decomposed into two CH stretching vibrations. The vibrational frequencies of the two bands are almost equivalent to the IR absorption of the pure- and poly-crystalline orthorhombic structures in the aerosol particles. The characteristic temperature behavior of the IR spectra implies the existence of the other large cluster, which is discussed in terms of the phase transition of a bulk crystal.

  20. Support effects and reaction mechanism of acetylene trimerization over silica-supported Cu4 clusters: A DFT study

    NASA Astrophysics Data System (ADS)

    Maleki, Farahnaz; Schlexer, Philomena; Pacchioni, Gianfranco

    2018-02-01

    Oxide-supported Cu nanoparticles and clusters catalyze a variety of important reactions, such as CO/CO2 hydrogenation to methanol. Recent studies demonstrate that also sub-nanometer clusters consisting of only a few atoms can actively catalyze chemical reactions. In this study, we investigate the interaction between Cu4 clusters and silica-surfaces, considering the de-hydroxylated and the fully hydroxylated α-quartz surfaces. We also considered various dopants such as Ti- and Nb-ions substitutional to Si, respectively, in order to see if an electronic change of the support has an effect on the reaction of the supported cluster. We find that hydroxyl groups can enhance the adsorption energy of the cluster, whereas the dopants have only little effects on the adsorption mode of the Cu cluster. On the fully hydroxylated surface, the cluster may react with the hydroxyl groups via reverse hydrogen spillover. Finally, we explore the reactivity of the silica-supported Cu4 cluster in terms of acetylene trimerization, for which extended Cu surfaces have shown catalytic activity. We find that this reaction should occur with activation barriers below 0.8 eV; Nb-doping of the support does not seem to produce any direct effect on the reactivity of the Cu tetramer.

  1. An expandable crosstalk reduction method for inline fiber Fabry-Pérot sensor array based on fiber Bragg gratings

    NASA Astrophysics Data System (ADS)

    Jiang, Peng; Ma, Lina; Hu, Zhengliang; Hu, Yongming

    2016-07-01

    The inline time division multiplexing (TDM) fiber Fabry-Pérot (FFP) sensor array based on fiber Bragg gratings (FBGs) is attractive for many applications. But the intrinsic multi-reflection (MR) induced crosstalk limits applications especially those needing high resolution. In this paper we proposed an expandable method for MR-induced crosstalk reduction. The method is based on complexing-exponent synthesis using the phase-generated carrier (PGC) scheme and the special common character of the impulse responses. The method could promote demodulation stability simultaneously with the reduction of MR-induced crosstalk. A polarization-maintaining 3-TDM experimental system with an FBG reflectivity of about 5 % was set up to validate the method. The experimental results showed that crosstalk reduction of 13 dB and 15 dB was achieved for sensor 2 and sensor 3 respectively when a signal was applied to the first sensor and crosstalk reduction of 8 dB was achieved for sensor 3 when a signal was applied to sensor 2. The demodulation stability of the applied signal was promoted as well. The standard deviations of the amplitude distributions of the demodulated signals were reduced from 0.0046 to 0.0021 for sensor 2 and from 0.0114 to 0.0044 for sensor 3. Because of the convenience of the linear operation of the complexing-exponent and according to the common character of the impulse response we found, the method can be effectively extended to the array with more TDM channels if the impulse response of the inline FFP sensor array with more TDM channels is derived. It offers potential to develop a low-crosstalk inline FFP sensor array using the PGC interrogation technique with relatively high reflectivity FBGs which can guarantee enough light power received by the photo-detector.

  2. Classification of molecular structure images by using ANN, RF, LBP, HOG, and size reduction methods for early stomach cancer detection

    NASA Astrophysics Data System (ADS)

    Aytaç Korkmaz, Sevcan; Binol, Hamidullah

    2018-03-01

    Patients who die from stomach cancer are still present. Early diagnosis is crucial in reducing the mortality rate of cancer patients. Therefore, computer aided methods have been developed for early detection in this article. Stomach cancer images were obtained from Fırat University Medical Faculty Pathology Department. The Local Binary Patterns (LBP) and Histogram of Oriented Gradients (HOG) features of these images are calculated. At the same time, Sammon mapping, Stochastic Neighbor Embedding (SNE), Isomap, Classical multidimensional scaling (MDS), Local Linear Embedding (LLE), Linear Discriminant Analysis (LDA), t-Distributed Stochastic Neighbor Embedding (t-SNE), and Laplacian Eigenmaps methods are used for dimensional the reduction of the features. The high dimension of these features has been reduced to lower dimensions using dimensional reduction methods. Artificial neural networks (ANN) and Random Forest (RF) classifiers were used to classify stomach cancer images with these new lower feature sizes. New medical systems have developed to measure the effects of these dimensions by obtaining features in different dimensional with dimensional reduction methods. When all the methods developed are compared, it has been found that the best accuracy results are obtained with LBP_MDS_ANN and LBP_LLE_ANN methods.

  3. Adaptation of the Levee Erosional Equivalence Method for the Hurricane Storm Damage Risk Reduction System (HSDRRS)

    DTIC Science & Technology

    2011-05-01

    ER D C/ CH L TR -1 1- 3 Flood and Coastal Storm Damage Reduction R& D Program Adaptation of the Levee Erosional Equivalence Method for the...of vertical wall [-] γw Specific weight of water [kN/m3] γβ Reduction factor for influence of angle of wave attack [-] θ Landward-side levee ...stress multiplied by the flow velocity. Thus, from Equation (4) stream power has the form ERDC/CHL TR-11-3 9 S o D D dW P τ u ρ f u u ρ f u dt

  4. Intermediates in the Formation of Aromatics in Hydrocarbon Combustion

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

    1994-01-01

    The formation of the first benzene ring is believed to be the rate limiting step in soot formation. Two different mechanisms have been proposed for formation of cyclic C6 species. The first involves the reaction of two acetylenes to give CH2CHCCH (vinyl acetylene), the loss of a H to give CHCHCCH (n-C41-13) or CH2CCCH (iso-C4H3), and addition of another acetylene to n-C4H3, followed by ring closure to give phenyl radical. Miller and Melius argue that only n-C4H3 leads to phenyl radical and since iso-C4H3 is more stable than n-C4H3 this mechanism is unlikely. An alternative mechanism proposed by them is formation of benzene from the dimerization of two CH2CCH (propargyl) radicals (formed by the reaction of singlet methylene with C2H2). We report reaction pathways and accurate energetics (from CASSCF/internally contracted CI calculations) for the reactions of CH(pi-2) and CH2-1 with acetylene, the reaction of vinylidene with acetylene, and the reaction of n-C4H3 and iso-C4H3 with acetylene. These calculations identify two new reactive intermediates CHCHCH ( a A"-2 ground state in Cs symmetry; spin coupling is a doublet from three singly occupied orbitals) and CHCCH (B-3 ground state in C2 symmetry) from the reaction of CH with acetylene. These species dimerize with no barrier to form benzene and para-benzyne, respectively. CHCCH is proposed as a reactive intermediate which can add to benzene to give higher polynuclear aromatic hydrocarbons or fullerenes. The addition of a C3H2 unit releases two C-C bond energies and thus the resulting addition product contains sufficient energy to break several CH bonds leading to a reduction in the H to C ratio as the cluster size increases. It is found that iso-C4H3 adds to acetylene to initially give a fulvene radical but that this species rearranges to phenyl radical. Thus, the reaction of acetylene with iso-C4H3 does lead to phenyl radical and the cyclization pathway may also contribute to formation of the initial benzene ring.

  5. Alkyl substituent effects on gas-phase acidities - The influence of hybridization.

    NASA Technical Reports Server (NTRS)

    Brauman, J. I.; Blair, L. K.

    1971-01-01

    Exploration of the effect on acidity of alkyl groups bonded to trigonal and digonal carbon. Some results on the relative acidities of toluene and p-xylene, and acetylene and substitute acetylenes, as determined by ion cyclotron resonance (icr) spectroscopy, are described. Some limitations of the CNDO/2 calculation method are discussed.

  6. A Unified Development of Basis Reduction Methods for Rotor Blade Analysis

    NASA Technical Reports Server (NTRS)

    Ruzicka, Gene C.; Hodges, Dewey H.; Rutkowski, Michael (Technical Monitor)

    2001-01-01

    The axial foreshortening effect plays a key role in rotor blade dynamics, but approximating it accurately in reduced basis models has long posed a difficult problem for analysts. Recently, though, several methods have been shown to be effective in obtaining accurate,reduced basis models for rotor blades. These methods are the axial elongation method,the mixed finite element method, and the nonlinear normal mode method. The main objective of this paper is to demonstrate the close relationships among these methods, which are seemingly disparate at first glance. First, the difficulties inherent in obtaining reduced basis models of rotor blades are illustrated by examining the modal reduction accuracy of several blade analysis formulations. It is shown that classical, displacement-based finite elements are ill-suited for rotor blade analysis because they can't accurately represent the axial strain in modal space, and that this problem may be solved by employing the axial force as a variable in the analysis. It is shown that the mixed finite element method is a convenient means for accomplishing this, and the derivation of a mixed finite element for rotor blade analysis is outlined. A shortcoming of the mixed finite element method is that is that it increases the number of variables in the analysis. It is demonstrated that this problem may be rectified by solving for the axial displacements in terms of the axial forces and the bending displacements. Effectively, this procedure constitutes a generalization of the widely used axial elongation method to blades of arbitrary topology. The procedure is developed first for a single element, and then extended to an arbitrary assemblage of elements of arbitrary type. Finally, it is shown that the generalized axial elongation method is essentially an approximate solution for an invariant manifold that can be used as the basis for a nonlinear normal mode.

  7. Polymer Soft-Landing Isolation of Acetylene on Polystyrene and Poly(vinylpyridine): A Novel Approach to Probing Hydrogen Bonding in Polymers.

    PubMed

    Li, Yike; Samet, Cindy

    2015-09-17

    Hydrogen-bonded complexes of acetylene (Ac) with the polymers polystyrene (PS), poly(4-vinylpyridine) (P4VP), and poly(2-vinylpyridine) (P2VP) have been characterized for the first time at 16 K in a "polymer soft-landing isolation" experiment which is being pioneered in our research laboratory. In particular, changes in vibrational modes of Ac provide ample evidence for hydrogen-bonded complexes between Ac and the phenyl groups of PS or the pyridyl groups of P4VP and P2VP. With PS, the proton on the top Ac molecule of the classic T-shaped Ac dimer interacts with the π cloud of the benzene (Bz) ring to form a C-H---π interaction, while the π cloud of the lower Ac forms a second C-H---π interaction with a proton on the Bz ring. An analogous (ring)1-(Ac)2 double interaction occurs between an Ac dimer and the pyridine (Pyr) rings on both P2VP and P4VP, yielding a C-H---N and C-H---π interaction. With P4VP and P2VP a second bridged (ring)2-(Ac)2 product is formed, with the Ac dimer forming nearly collinear C-H---N hydrogen bonds to adjacent Pyr rings. On P2VP this bridged product is the only one after extensive annealing. These complexes in which Ac acts as both proton donor and acceptor have not previously been observed in conventional matrix isolation experiments. This study is the second from our laboratory employing this method, which represents a slight modification of the traditional matrix isolation technique.

  8. Temperature and pressure dependence of the absolute rate constant for the reactions of NH2 radicals with acetylene and ethylene

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Nava, D. F.; Brobst, W. D.; Stief, L. J.

    1984-01-01

    The absolute rate constants for the reaction between the NH2 free radical and acetylene and ethylene is measured experimentally using a flash photolysis technique. The constant is considered to be a function of temperature and pressure. At each temperature level of the experiment, the observed pseudo-first-order rate constants were assumed to be independent of flash intensity. The results of the experiment indicate that the bimolecular rate constant for the NH2 + C2H2 reaction increases with pressure at 373 K and 459 K but not at lower temperatures. Results near the pressure limit conform to an Arrhenius expression of 1.11 (+ or -) 0.36 x 10 to the -13th over the temperature range from 241 to 459 K. For the reaction NH2 + C2H4, a smaller rate of increase in the bimolecular rate constant was observed over the temperature range 250-465 K. The implications of these results for current theoretical models of NH2 + C2H2 (or H4) reactions in the atmospheres of Jupiter and Saturn are discussed.

  9. Optical absorption of carbon and hydrocarbon species from shock heated acetylene and methane in the 135-220 nm wavelength range

    NASA Technical Reports Server (NTRS)

    Shinn, J. L.

    1981-01-01

    Absorption spectroscopy of carbon and hydrocarbon species has been performed in a shock tube at an incident shock condition for a wavelength range of 135-220 nm, in order to obtain information needed for calculating radiation blockage ahead of a planetary probe. Instrumentation consisted of high frequency response pressure transducers, thin-film heat transfer gages, or photomultipliers coupled by light pipes. Two test-gas mixtures, one with acetylene and the other with methane, both diluted with argon, were used to provide a reliable variation of C3 and C2H concentration ratio. Comparison of tests results of the two mixtures, in the temperature range of 3750 + or - 100 K, showed the main absorbing species to be C3. The wavelength for maximum absorption agrees well with the theoretical values of 7.68 eV and 8.03 eV for the vertical excitation energy, and a value of 0.90 for the electronic oscillator strength, obtained from the measured absorption band, is also in good agreement with the predicted value of 0.92.

  10. Comparative studies on single-layer reduced graphene oxide films obtained by electrochemical reduction and hydrazine vapor reduction

    NASA Astrophysics Data System (ADS)

    Wang, Zhijuan; Wu, Shixin; Zhang, Juan; Chen, Peng; Yang, Guocheng; Zhou, Xiaozhu; Zhang, Qichun; Yan, Qingyu; Zhang, Hua

    2012-02-01

    The comparison between two kinds of single-layer reduced graphene oxide (rGO) sheets, obtained by reduction of graphene oxide (GO) with the electrochemical method and hydrazine vapor reduction, referred to as E-rGO and C-rGO, respectively, is systematically studied. Although there is no morphology difference between the E-rGO and C-rGO films adsorbed on solid substrates observed by AFM, the reduction process to obtain the E-rGO and C-rGO films is quite different. In the hydrazine vapor reduction, the nitrogen element is incorporated into the obtained C-rGO film, while no additional element is introduced to the E-rGO film during the electrochemical reduction. Moreover, Raman spectra show that the electrochemical method is more effective than the hydrazine vapor reduction method to reduce the GO films. In addition, E-rGO shows better electrocatalysis towards dopamine than does C-rGO. This study is helpful for researchers to understand these two different reduction methods and choose a suitable one to reduce GO based on their experimental requirements.

  11. Effect of Fe2O3 and Binder on the Electrochemical Properties of Fe2O3/AB (Acetylene Black) Composite Electrodes

    NASA Astrophysics Data System (ADS)

    Anh, Trinh Tuan; Thuan, Vu Manh; Thang, Doan Ha; Hang, Bui Thi

    2017-06-01

    In an effort to find the best anode material for Fe/air batteries, a Fe2O3/AB (Acetylene Black) composite was prepared by dry-type ball milling using Fe2O3 nanoparticles and AB as the active and additive materials, respectively. The effects of various binders and Fe2O3 content on the electrochemical properties of Fe2O3/AB electrodes in alkaline solution were investigated. It was found that the content of Fe2O3 strongly affected the electrochemical behavior of Fe2O3/AB electrodes; with Fe2O3 nanopowder content reaching 70 wt.% for the electrode and showing improvement of the cyclability. When the electrode binder polytetrafluoroethylene (PTFE) was used, clear redox peaks were observed via cyclic voltammetry (CV), while polyvinylidene fluoride-containing electrodes provided CV curves with unobservable redox peaks. Increasing either binder content in the electrode showed a negative effect in terms of the cyclability of the Fe2O3/AB electrode.

  12. Enema reduction of intussusception: the success rate of hydrostatic and pneumatic reduction.

    PubMed

    Khorana, Jiraporn; Singhavejsakul, Jesda; Ukarapol, Nuthapong; Laohapensang, Mongkol; Wakhanrittee, Junsujee; Patumanond, Jayanton

    2015-01-01

    Intussusception is a common surgical emergency in infants and children. The incidence of intussusception is from one to four per 2,000 infants and children. If there is no peritonitis, perforation sign on abdominal radiographic studies, and nonresponsive shock, nonoperative reduction by pneumatic or hydrostatic enema can be performed. The purpose of this study was to compare the success rates of both the methods. Two institutional retrospective cohort studies were performed. All intussusception patients (ICD-10 code K56.1) who had visited Chiang Mai University Hospital and Siriraj Hospital from January 2006 to December 2012 were included in the study. The data were obtained by chart reviews and electronic databases, which included demographic data, symptoms, signs, and investigations. The patients were grouped according to the method of reduction followed into pneumatic reduction and hydrostatic reduction groups with the outcome being the success of the reduction technique. One hundred and seventy episodes of intussusception occurring in the patients of Chiang Mai University Hospital and Siriraj Hospital were included in this study. The success rate of pneumatic reduction was 61% and that of hydrostatic reduction was 44% (P=0.036). Multivariable analysis and adjusting of the factors by propensity scores were performed; the success rate of pneumatic reduction was 1.48 times more than that of hydrostatic reduction (P=0.036, 95% confidence interval [CI] =1.03-2.13). Both pneumatic and hydrostatic reduction can be performed safely according to the experience of the radiologist or pediatric surgeon and hospital setting. This study showed that pneumatic reduction had a higher success rate than hydrostatic reduction.

  13. Chromophores from Photolyzed Ammonia Reacting with Acetylene: Application to Jupiter’s Great Red Spot

    NASA Astrophysics Data System (ADS)

    Carlson, Robert W.; Baines, K. H.; Anderson, M. S.; Filacchione, G.

    2012-10-01

    The production mechanisms of chromophores at Jupiter, and notably at the Great Red Spot (GRS), have been long-standing puzzles. A clue to the formation of the GRS coloring agent may be the great height of this storm, which can upwell ammonia to pressure levels of a few hundred mbar where solar photons capable of dissociating NH3 penetrate. Acetylene formed at higher altitudes can diffuse down and react with the NH3 photodissociation products, forming a deposit that absorbs in the ultraviolet and visible region (Ferris and Ishikawa, J. Amer. Chem. Soc. 110, 4306-4312, 1988). We have investigated the system NH3 + C2H2 + CH4 using a Zn lamp emitting at 214 nm to produce NH2 + H and subsequent reaction products. The deposits produced in these reactions were analyzed by optical and infrared spectroscopy and soft-ionization (He*) time-of-flight mass spectroscopy. The combination of NH3 + CH4 produced no visibly absorbing material, but NH3 + C2H2 and NH3 + C2H2 + CH4 mixtures both produced a yellow-orange film whose transmission spectra are similar to that of the GRS obtained by Cassini VIMS. Infrared spectra show a strong band at 2056 wavenumbers which may arise from nitrile (-CN), isonitrile (-NC), or diazide (-CNN) functional groups. The high-resolution mass spectra are consistent with compounds of the form CnH2n+1Nm, similar to the products formed in NH3 + CH4 spark discharges (Molton and Ponnamperuma, Icarus 21, 166-174, 1974). We thank NASA's Planetary Atmospheres Program for support.

  14. Super Hydrides.

    DTIC Science & Technology

    1994-10-31

    and alpha-hindered ketones. We have now shown that this reagent is extremely efficient for the reduction of aryl and alkyl perfluoroalkyl ketones...including alpha- perfluoroalkyl alpha-acetylenic ketones, generally providing (greater than or equal) 90% ee for the product alcohols. A systematic study

  15. Development, implementation and evaluation of a dedicated metal artefact reduction method for interventional flat-detector CT.

    PubMed

    Prell, D; Kalender, W A; Kyriakou, Y

    2010-12-01

    The purpose of this study was to develop, implement and evaluate a dedicated metal artefact reduction (MAR) method for flat-detector CT (FDCT). The algorithm uses the multidimensional raw data space to calculate surrogate attenuation values for the original metal traces in the raw data domain. The metal traces are detected automatically by a three-dimensional, threshold-based segmentation algorithm in an initial reconstructed image volume, based on twofold histogram information for calculating appropriate metal thresholds. These thresholds are combined with constrained morphological operations in the projection domain. A subsequent reconstruction of the modified raw data yields an artefact-reduced image volume that is further processed by a combining procedure that reinserts the missing metal information. For image quality assessment, measurements on semi-anthropomorphic phantoms containing metallic inserts were evaluated in terms of CT value accuracy, image noise and spatial resolution before and after correction. Measurements of the same phantoms without prostheses were used as ground truth for comparison. Cadaver measurements were performed on complex and realistic cases and to determine the influences of our correction method on the tissue surrounding the prostheses. The results showed a significant reduction of metal-induced streak artefacts (CT value differences were reduced to below 22 HU and image noise reduction of up to 200%). The cadaver measurements showed excellent results for imaging areas close to the implant and exceptional artefact suppression in these areas. Furthermore, measurements in the knee and spine regions confirmed the superiority of our method to standard one-dimensional, linear interpolation.

  16. Passive interior noise reduction analysis of King Air 350 turboprop aircraft using boundary element method/finite element method (BEM/FEM)

    NASA Astrophysics Data System (ADS)

    Dandaroy, Indranil; Vondracek, Joseph; Hund, Ron; Hartley, Dayton

    2005-09-01

    The objective of this study was to develop a vibro-acoustic computational model of the Raytheon King Air 350 turboprop aircraft with an intent to reduce propfan noise in the cabin. To develop the baseline analysis, an acoustic cavity model of the aircraft interior and a structural dynamics model of the aircraft fuselage were created. The acoustic model was an indirect boundary element method representation using SYSNOISE, while the structural model was a finite-element method normal modes representation in NASTRAN and subsequently imported to SYSNOISE. In the acoustic model, the fan excitation sources were represented employing the Ffowcs Williams-Hawkings equation. The acoustic and the structural models were fully coupled in SYSNOISE and solved to yield the baseline response of acoustic pressure in the aircraft interior and vibration on the aircraft structure due to fan noise. Various vibration absorbers, tuned to fundamental blade passage tone (100 Hz) and its first harmonic (200 Hz), were applied to the structural model to study their effect on cabin noise reduction. Parametric studies were performed to optimize the number and location of these passive devices. Effects of synchrophasing and absorptive noise treatments applied to the aircraft interior were also investigated for noise reduction.

  17. Method for Reduction of Silver Biocide Plating on Metal Surfaces

    NASA Technical Reports Server (NTRS)

    Steele, John; Nalette, Timothy; Beringer, Durwood

    2013-01-01

    Silver ions in aqueous solutions (0.05 to 1 ppm) are used for microbial control in water systems. The silver ions remain in solution when stored in plastic containers, but the concentration rapidly decreases to non-biocidal levels when stored in metal containers. The silver deposits onto the surface and is reduced to non-biocidal silver metal when it contacts less noble metal surfaces, including stainless steel, titanium, and nickel-based alloys. Five methods of treatment of contact metal surfaces to deter silver deposition and reduction are proposed: (1) High-temperature oxidation of the metal surface; (2) High-concentration silver solution pre-treatment; (3) Silver plating; (4) Teflon coat by vapor deposition (titanium only); and (5) A combination of methods (1) and (2), which proved to be the best method for the nickel-based alloy application. The mechanism associated with surface treatments (1), (2), and (5) is thought to be the development of a less active oxide layer that deters ionic silver deposition. Mechanism (3) is an attempt to develop an equilibrium ionic silver concentration via dissolution of metallic silver. Mechanism (4) provides a non-reactive barrier to deter ionic silver plating. Development testing has shown that ionic silver in aqueous solution was maintained at essentially the same level of addition (0.4 ppm) for up to 15 months with method (5) (a combination of methods (1) and (2)), before the test was discontinued for nickel-based alloys. Method (1) resulted in the maintenance of a biocidal level (approximately 0.05 ppm) for up to 10 months before that test was discontinued for nickel-based alloys. Methods (1) and (2) used separately were able to maintain ionic silver in aqueous solution at essentially the same level of addition (0.4 ppm) for up to 10 months before the test was discontinued for stainless steel alloys. Method (3) was only utilized for titanium alloys, and was successful at maintaining ionic silver in aqueous solution at

  18. An Analysis of Prospective Chemistry Teachers' Cognitive Structures through Flow Map Method: The Subject of Oxidation and Reduction

    ERIC Educational Resources Information Center

    Temel, Senar

    2016-01-01

    This study aims to analyse prospective chemistry teachers' cognitive structures related to the subject of oxidation and reduction through a flow map method. Purposeful sampling method was employed in this study, and 8 prospective chemistry teachers from a group of students who had taken general chemistry and analytical chemistry courses were…

  19. METHOD FOR THE REDUCTION OF URANIUM COMPOUNDS

    DOEpatents

    Cooke, W.H.; Crawford, J.W.C.

    1959-05-12

    An improved technique of preparing massive metallic uranium by the reaction at elevated temperature between an excess of alkali in alkaline earth metal and a uranium halide, such ss uranium tetrafluoride is presented. The improvement comprises employing a reducing atmosphere of hydrogen or the like, such as coal gas, in the vessel during the reduction stage and then replacing the reducing atmosphere with argon gas prior to cooling to ambient temperature.

  20. Reduction in the write error rate of voltage-induced dynamic magnetization switching using the reverse bias method

    NASA Astrophysics Data System (ADS)

    Ikeura, Takuro; Nozaki, Takayuki; Shiota, Yoichi; Yamamoto, Tatsuya; Imamura, Hiroshi; Kubota, Hitoshi; Fukushima, Akio; Suzuki, Yoshishige; Yuasa, Shinji

    2018-04-01

    Using macro-spin modeling, we studied the reduction in the write error rate (WER) of voltage-induced dynamic magnetization switching by enhancing the effective thermal stability of the free layer using a voltage-controlled magnetic anisotropy change. Marked reductions in WER can be achieved by introducing reverse bias voltage pulses both before and after the write pulse. This procedure suppresses the thermal fluctuations of magnetization in the initial and final states. The proposed reverse bias method can offer a new way of improving the writing stability of voltage-driven spintronic devices.

  1. Improvements of anti-corrosion and mechanical properties of NiTi orthopedic materials by acetylene, nitrogen and oxygen plasma immersion ion implantation

    NASA Astrophysics Data System (ADS)

    Poon, Ray W. Y.; Ho, Joan P. Y.; Liu, Xuanyong; Chung, C. Y.; Chu, Paul K.; Yeung, Kelvin W. K.; Lu, William W.; Cheung, Kenneth M. C.

    2005-08-01

    Nickel-titanium shape memory alloys (NiTi) are useful materials in orthopedics and orthodontics due to their unique super-elasticity and shape memory effects. However, the problem associated with the release of harmful Ni ions to human tissues and fluids has been raising safety concern. Hence, it is necessary to produce a surface barrier to impede the out-diffusion of Ni ions from the materials. We have conducted acetylene, nitrogen and oxygen plasma immersion ion implantation (PIII) into NiTi alloys in an attempt to improve the surface properties. All the implanted and annealed samples surfaces exhibit outstanding corrosion and Ni out-diffusion resistance. Besides, the implanted layers are mechanically stronger than the substrate underneath. XPS analyses disclose that the layer formed by C2H2 PIII is composed of mainly TiCx with increasing Ti to C concentration ratios towards the bulk. The nitrogen PIII layer is observed to be TiN, whereas the oxygen PIII layer is composed of oxides of Ti4+, Ti3+ and Ti2+.

  2. Bacterial and Fungal Counts of Dried and Semi-Dried Foods Collected from Dhaka, Bangladesh, and Their Reduction Methods.

    PubMed

    Feroz, Farahnaaz; Shimizu, Hiromi; Nishioka, Terumi; Mori, Miho; Sakagami, Yoshikazu

    2016-01-01

    　Food is a basic necessity for human survival, but it is still the vehicle for the transmission of food borne disease. Various studies have examined the roles of spices, herbs, nuts, and semi-dried fruits, making the need for safe and convenient methods of decontamination a necessity. The current study determined the bacterial and fungal loads of 26 spices and herbs, 5 nuts, 10 semi-dried fruits and 5 other foods. Spices, herbs and semi-dried foods demonstrated the highest bacterial and fungal loads with the majority showing over 10 4 CFU/mL. Nuts and other foods showed growths ranging from 10 2 to 10 6 CFU/mL. The current study also attempted to determine the effects of heat and plasma treatment. The log reduction of bacterial growth after heat treatment (maximum: 120 min for 60℃) was between 0.08 to 4.47, and the log reduction after plasma treatment (maximum: 40 min) ranged from 2.37 to 5.75. Spices showed the lowest rates of reduction, whereas the semi-dried and other foods showed moderate to high levels of decrease after heat treatment. The log reduction of fungal growth after heat treatment ranged from 0.27 to 4.40, and log reduction after plasma treatment ranged from 2.15 to 5.91．Furthermore, we validated the sterilization effect of plasma treatment against Bacillus spp. and Staphylococcus spp. by using scanning electron microscopy. Both treatment methods could prove to be advantageous in the agriculture related fields, enhancing the quality of the foods.

  3. An overview of forensic drug testing methods and their suitability for harm reduction point-of-care services.

    PubMed

    Harper, Lane; Powell, Jeff; Pijl, Em M

    2017-07-31

    Given the current opioid crisis around the world, harm reduction agencies are seeking to help people who use drugs to do so more safely. Many harm reduction agencies are exploring techniques to test illicit drugs to identify and, where possible, quantify their constituents allowing their users to make informed decisions. While these technologies have been used for years in Europe (Nightlife Empowerment & Well-being Implementation Project, Drug Checking Service: Good Practice Standards; Trans European Drugs Information (TEDI) Workgroup, Factsheet on Drug Checking in Europe, 2011; European Monitoring Centre for Drugs and Drug Addiction, An Inventory of On-site Pill-Testing Interventions in the EU: Fact Files, 2001), they are only now starting to be utilized in this context in North America. The goal of this paper is to describe the most common methods for testing illicit substances and then, based on this broad, encompassing review, recommend the most appropriate methods for testing at point of care.Based on our review, the best methods for point-of-care drug testing are handheld infrared spectroscopy, Raman spectroscopy, and ion mobility spectrometry; mass spectrometry is the current gold standard in forensic drug analysis. It would be prudent for agencies or clinics that can obtain the funding to contact the companies who produce these devices to discuss possible usage in a harm reduction setting. Lower tech options, such as spot/color tests and immunoassays, are limited in their use but affordable and easy to use.

  4. Effect of mineral phosphates on growth and nitrogen fixation of diazotrophic cyanobacteria Anabaena variabilis and Westiellopsis prolifica.

    PubMed

    Yandigeri, Mahesh S; Yadav, Arvind K; Meena, Kamlesh Kumar; Pabbi, Sunil

    2010-03-01

    The nitrogen fixing cyanobacterial strains namely Anabaena variabilis (Nostocales, Nostocaceae) and Westiellopsis prolifica (Nostocales, Hapalosiphonaceae) were evaluated for their nitrogen fixation and growth potential in response to different concentrations (10, 20 and 30 mg P) of the alternate insoluble P-sources Mussorie Rock Phosphate and Tricalcium Phosphate. Distinct and significant intergeneric differences were observed with respect to nitrogen fixation measured as Acetylene Reduction Activity (ARA) and growth potential as soluble proteins, total carbohydrate content, dry weight and total chlorophyll content in response to different concentrations of Mussorie Rock Phosphate and Tricalcium Phosphate. Both the strains showed higher soluble protein content at 20 mg P (Mussorie Rock Phosphate) that increased with time of incubation in A. variabilis. Both cyanobacteria recorded maximum Acetylene Reduction Activity at 20 mg P (Tricalcium Phosphate) followed by activity in presence of soluble phosphate (K2HPO4). The mean activity at all concentrations of insoluble phosphate (Mussorie Rock Phosphate and Tricalcium Phosphate) was more than in the presence of soluble phosphate.

  5. The homeowner view of thinning methods for fire hazard reduction: more positive than many think

    Treesearch

    Sarah McCaffrey

    2008-01-01

    With the focus of the National Fire Plan on decreasing fire risk in the wildland-urban interface, fire managers are increasingly tasked with reducing the fuel load in areas where mixed public and private ownership and a growing number of homes can make most fuel reduction methods problematic at best. In many of these intermix areas, use of prescribed burning will be...

  6. Voltage-induced reduction of graphene oxide

    NASA Astrophysics Data System (ADS)

    Faucett, Austin C.

    Graphene Oxide (GO) is being widely researched as a precursor for the mass production of graphene, and as a versatile material in its own right for flexible electronics, chemical sensors, and energy harvesting applications. Reduction of GO, an electrically insulating material, into reduced graphene oxide (rGO) restores electrical conductivity via removal of oxygen-containing functional groups. Here, a reduction method using an applied electrical bias, known as voltage-induced reduction, is explored. Voltage-induced reduction can be performed under ambient conditions and avoids the use of hazardous chemicals or high temperatures common with standard methods, but little is known about the reduction mechanisms and the quality of rGO produced with this method. This work performs extensive structural and electrical characterization of voltage-reduced GO (V-rGO) and shows that it is competitive with standard methods. Beyond its potential use as a facile and eco-friendly processing approach, V-rGO reduction also offers record high-resolution patterning capabilities. In this work, the spatial resolution limits of voltage-induced reduction, performed using a conductive atomic force microscope probe, are explored. It is shown that arbitrary V-rGO conductive features can be patterned into insulating GO with nanoscale resolution. The localization of voltage-induced reduction to length scales < 10 nm allows studies of reduction reaction kinetics, using electrical current obtained in-situ, with statistical robustness. Methods for patterning V-rGO nanoribbons are then developed. After presenting sub-10nm patterning of V-rGO nanoribbons in GO single sheets and films, the performance of V-rGO nanoribbon field effect transistors (FETs) are demonstrated. Preliminary measurements show an increase in electrical current on/off ratios as compared to large-area rGO FETs, indicating transport gap modulation that is possibly due to quantum confinement effects.

  7. Carbon-based sputtered coatings for enhanced chitosan-based films properties

    NASA Astrophysics Data System (ADS)

    Fernandes, C.; Calderon V., S.; Ballesteros, Lina F.; Cerqueira, Miguel A.; Pastrana, L. M.; Teixeira, José A.; Ferreira, P. J.; Carvalho, S.

    2018-03-01

    In order to make bio-based packaging materials competitive in comparison to petroleum-based one, some of their properties need to be improved, among which gas permeability is of crucial importance. Thus, in this work, carbon-based coatings were applied on chitosan-based films by radiofrequency reactive magnetron sputtering aiming to improve their barrier properties. Chemical and morphological properties were evaluated in order to determine the effect of the coatings on the chemical structure, surface hydrophobicity and barrier properties of the system. Chemical analysis, performed by electron energy loss spectroscopy and Fourier transform infrared spectroscopy, suggests similar chemical characteristics among all coatings although higher incorporation of hydrogen as the acetylene flux increases was observed. On the other hand, scanning transmission electron microscopy revealed that the porosity of the carbon layer can be tailored by the acetylene flux. More importantly, the chitosan oxygen permeability showed a monotonic reduction as a function of the acetylene flux. This study opens up new opportunities to apply nanostructured coatings on bio-based polymer for enhanced oxygen barrier properties.

  8. Sodium: some effects on bluegreen algal growth

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

    Ward, A.K.; Wetzel, R.G.

    The growth of heterocystous bluegreen algae in various concentrations of sodium was examined in axenic culture as well as in situ studies. Anabaena cylindrica Lemm, with no Na/sup +/ added, suffered from decreased rates of acetylene reduction, /sup 14/C assimilation, excretion of organic C as well as lower concentrations of chlorophyll a and particulate organic C compared to cultures supplied with 5, 10, and 50 mg Na/sup +/ . l/sup -1/. Sodium deficient algae released extracellularly a higher percentage of previously fixed C as organic C. No differences in any parameter measured were demonstrable among cultures grown with 5, 10,more » and 50 mg Na/sup +/ . l/sup -1/. High nitrate concentrations (20 mg NO/sub 3/- . /sup -1/) resulted in decreased rates of acetylene reduction and heterocyst numbers in Na sufficient and Na deficient cultures; however, decreased cellular Na content at high NO/sub 3/- levels occurred only in N deficient cultures. Higher percentages of excreted organic C occurred with increasing NO/sub 3/- concentrations in Na deficient cultures. Sodium enrichment of natural bluegreen populations with the addition of 50, 100, and 200 mg Na/sup +/ . l/sup -1/ elicited neither a stimulatory nor an inhibitory response in photosynthetic C fixation. In contrast, the addition of small amounts of Na/sup +/ (5 mg . l/sup -1/) resulted in increased C fixation. However, since the Na concentration of the lake water, at ca. 5 mg Na/sup +/ . l/sup -1/, was sufficient for growth of the bluegreens present, sodium is not assumed to be limiting under most natural conditions. No increase in in situ acetylene reduction rates occurred with additions of sodium.« less

  9. Electrochemical and photoelectrochemical reduction of furfurals

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

    Choi, Kyoung-Shin; Roylance, John James; Kubota, Stephen R.

    Electrochemical cells and photoelectrochemical cells for the reduction of furfurals are provided. Also provided are methods of using the cells to carry out the reduction reactions. Using the cells and methods, furfurals can be converted into furan alcohols or linear ketones.

  10. Prospective ECG-Triggered Coronary CT Angiography: Clinical Value of Noise-Based Tube Current Reduction Method with Iterative Reconstruction

    PubMed Central

    Shen, Junlin; Du, Xiangying; Guo, Daode; Cao, Lizhen; Gao, Yan; Yang, Qi; Li, Pengyu; Liu, Jiabin; Li, Kuncheng

    2013-01-01

    Objectives To evaluate the clinical value of noise-based tube current reduction method with iterative reconstruction for obtaining consistent image quality with dose optimization in prospective electrocardiogram (ECG)-triggered coronary CT angiography (CCTA). Materials and Methods We performed a prospective randomized study evaluating 338 patients undergoing CCTA with prospective ECG-triggering. Patients were randomly assigned to fixed tube current with filtered back projection (Group 1, n = 113), noise-based tube current with filtered back projection (Group 2, n = 109) or with iterative reconstruction (Group 3, n = 116). Tube voltage was fixed at 120 kV. Qualitative image quality was rated on a 5-point scale (1 = impaired, to 5 = excellent, with 3–5 defined as diagnostic). Image noise and signal intensity were measured; signal-to-noise ratio was calculated; radiation dose parameters were recorded. Statistical analyses included one-way analysis of variance, chi-square test, Kruskal-Wallis test and multivariable linear regression. Results Image noise was maintained at the target value of 35HU with small interquartile range for Group 2 (35.00–35.03HU) and Group 3 (34.99–35.02HU), while from 28.73 to 37.87HU for Group 1. All images in the three groups were acceptable for diagnosis. A relative 20% and 51% reduction in effective dose for Group 2 (2.9 mSv) and Group 3 (1.8 mSv) were achieved compared with Group 1 (3.7 mSv). After adjustment for scan characteristics, iterative reconstruction was associated with 26% reduction in effective dose. Conclusion Noise-based tube current reduction method with iterative reconstruction maintains image noise precisely at the desired level and achieves consistent image quality. Meanwhile, effective dose can be reduced by more than 50%. PMID:23741444

  11. RADIOACTIVE OBJECT AND METHOD OF MAKING SAME

    DOEpatents

    Dorfman, L.M.; Shipko, F.J.

    1959-09-01

    A process is described for depositing an adherent coating of tritiated cuprene upon a solid body at the bottom of a vessel by introductng an atmosphere into the vessel containing a large fraction of tritiated acetylene whereby tritiated cuprene forms by polymerizing action and is deposited on the body by the action of gravity. An adherent, evenly distributed coating is obtained.

  12. Local spatiotemporal time-frequency peak filtering method for seismic random noise reduction

    NASA Astrophysics Data System (ADS)

    Liu, Yanping; Dang, Bo; Li, Yue; Lin, Hongbo

    2014-12-01

    To achieve a higher level of seismic random noise suppression, the Radon transform has been adopted to implement spatiotemporal time-frequency peak filtering (TFPF) in our previous studies. Those studies involved performing TFPF in full-aperture Radon domain, including linear Radon and parabolic Radon. Although the superiority of this method to the conventional TFPF has been tested through processing on synthetic seismic models and field seismic data, there are still some limitations in the method. Both full-aperture linear Radon and parabolic Radon are applicable and effective for some relatively simple situations (e.g., curve reflection events with regular geometry) but inapplicable for complicated situations such as reflection events with irregular shapes, or interlaced events with quite different slope or curvature parameters. Therefore, a localized approach to the application of the Radon transform must be applied. It would serve the filter method better by adapting the transform to the local character of the data variations. In this article, we propose an idea that adopts the local Radon transform referred to as piecewise full-aperture Radon to realize spatiotemporal TFPF, called local spatiotemporal TFPF. Through experiments on synthetic seismic models and field seismic data, this study demonstrates the advantage of our method in seismic random noise reduction and reflection event recovery for relatively complicated situations of seismic data.

  13. A novel differential electrochemical mass spectrometry method to determine the product distribution from parasitic Methanol oxidation reaction on oxygen reduction reaction catalysts

    NASA Astrophysics Data System (ADS)

    Jurzinsky, Tilman; Kurzhals, Philipp; Cremers, Carsten

    2018-06-01

    The oxygen reduction reaction is in research focus since several decades due to its importance for the overall fuel cell performance. In direct methanol fuel cells, the crossover of methanol and its subsequent parasitic oxidation are main issues when it comes to preventing fuel cell performance losses. In this work, we present a novel differential electrochemical mass spectrometry method to evaluate oxygen reduction reaction catalysts on their tolerance to methanol being present at the cathode. Besides this, the setup allows to measure under more realistic fuel cell conditions than typical rotating disc electrode measurements, because the oxygen reduction reaction is evaluated in gaseous phase and a gas diffusion electrode is used as working electrode. Due to the new method, it was possible to investigate the oxygen reduction reaction on two commonly used catalysts (Pt/C and Pt3Co/C) in absence and presence of methanol. It was found, that Pt3Co/C is less prone to parasitic current losses due to methanol oxidation reaction. By connecting a mass spectrometer to the electrochemical cell, the new method allows to determine the products formed on the catalysts due to parasitic methanol electrooxidation.

  14. A principled dimension-reduction method for the population density approach to modeling networks of neurons with synaptic dynamics.

    PubMed

    Ly, Cheng

    2013-10-01

    The population density approach to neural network modeling has been utilized in a variety of contexts. The idea is to group many similar noisy neurons into populations and track the probability density function for each population that encompasses the proportion of neurons with a particular state rather than simulating individual neurons (i.e., Monte Carlo). It is commonly used for both analytic insight and as a time-saving computational tool. The main shortcoming of this method is that when realistic attributes are incorporated in the underlying neuron model, the dimension of the probability density function increases, leading to intractable equations or, at best, computationally intensive simulations. Thus, developing principled dimension-reduction methods is essential for the robustness of these powerful methods. As a more pragmatic tool, it would be of great value for the larger theoretical neuroscience community. For exposition of this method, we consider a single uncoupled population of leaky integrate-and-fire neurons receiving external excitatory synaptic input only. We present a dimension-reduction method that reduces a two-dimensional partial differential-integral equation to a computationally efficient one-dimensional system and gives qualitatively accurate results in both the steady-state and nonequilibrium regimes. The method, termed modified mean-field method, is based entirely on the governing equations and not on any auxiliary variables or parameters, and it does not require fine-tuning. The principles of the modified mean-field method have potential applicability to more realistic (i.e., higher-dimensional) neural networks.

  15. Evaluation of noninvasive cardiac output methods during exercise

    NASA Technical Reports Server (NTRS)

    Moore, Alan D.; Barrows, Linda H.; Rashid, Michael; Siconolfi, Steven F.

    1992-01-01

    Noninvasive techniques to estimate cardiac output (Qc) will be used during future space flight. This retrospective literature survey compared the Qc techniques of carbon dioxide rebreathing (CO2-R), CO2 single breath (CO2-S), Doppler (DOP), impedance (IM), and inert gas (IG: acetylene or nitrous oxide) to direct (DIR) assessments measured at rest and during exercise.

  16. Iodine retention during evaporative volume reduction

    DOEpatents

    Godbee, H.W.; Cathers, G.I.; Blanco, R.E.

    1975-11-18

    An improved method for retaining radioactive iodine in aqueous waste solutions during volume reduction is disclosed. The method applies to evaporative volume reduction processes whereby the decontaminated (evaporated) water can be returned safely to the environment. The method generally comprises isotopically diluting the waste solution with a nonradioactive iodide and maintaining the solution at a high pH during evaporation.

  17. Comparison of dimensionality reduction methods to predict genomic breeding values for carcass traits in pigs.

    PubMed

    Azevedo, C F; Nascimento, M; Silva, F F; Resende, M D V; Lopes, P S; Guimarães, S E F; Glória, L S

    2015-10-09

    A significant contribution of molecular genetics is the direct use of DNA information to identify genetically superior individuals. With this approach, genome-wide selection (GWS) can be used for this purpose. GWS consists of analyzing a large number of single nucleotide polymorphism markers widely distributed in the genome; however, because the number of markers is much larger than the number of genotyped individuals, and such markers are highly correlated, special statistical methods are widely required. Among these methods, independent component regression, principal component regression, partial least squares, and partial principal components stand out. Thus, the aim of this study was to propose an application of the methods of dimensionality reduction to GWS of carcass traits in an F2 (Piau x commercial line) pig population. The results show similarities between the principal and the independent component methods and provided the most accurate genomic breeding estimates for most carcass traits in pigs.

  18. Inhibiting polysulfides diffusion of lithium-sulfur batteries using an acetylene black-CoS2 modified separator: Mechanism research and performance improvement

    NASA Astrophysics Data System (ADS)

    Zeng, Pan; Huang, Liwu; Zhang, Xinling; Han, Yamiao; Chen, Yungui

    2018-01-01

    Lithium-sulfur (Li-S) batteries are considered as one of the most promising chemistries in secondary energy storage field owing to their high energy density. However, the poor electrochemical performance mainly associated with the polysulfides shuttle has greatly hampered their practical application. Herein, a simple acetylene black (AB)-CoS2 coated separator is first designed to suppress the migration of polysulfides. The AB-CoS2 modified separator can not only efficiently capture the polysulfides by forming strong chemical bonding but also guarantee the rapid lithium ions diffusion. Moreover, the AB-CoS2 coating could serve as an upper current collector to accelerate electron transport for reinforcing the utilization of sulfur and ensuring the reactivation of the trapped active material. Consequently, the Li-S cell using AB-CoS2 modified separator shows a long-term cycling stability with an extremely low decay rate (0.09% per cycle) up to 450 cycles at a high rate of 2 C (3350 mA g-1). It also exhibits excellent rate capabilities, which maintains a capacity of 475 mAh g-1 even at 4.0 C rate.

  19. Methods of producing porous platinum-based catalysts for oxygen reduction

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

    Erlebacher, Jonah D.; Snyder, Joshua D.

    A porous metal that comprises platinum and has a specific surface area that is greater than 5 m 2/g and less than 75 m 2/g. A fuel cell includes a first electrode, a second electrode spaced apart from the first electrode, and an electrolyte arranged between the first and the second electrodes. At least one of the first and second electrodes is coated with a porous metal catalyst for oxygen reduction, and the porous metal catalyst comprises platinum and has a specific surface area that is greater than 5 m 2/g and less than 75 m 2/g. A method ofmore » producing a porous metal according to an embodiment of the current invention includes producing an alloy consisting essentially of platinum and nickel according to the formula Pt xNi 1-x, where x is at least 0.01 and less than 0.3; and dealloying the alloy in a substantially pH neutral solution to reduce an amount of nickel in the alloy to produce the porous metal.« less

  20. Effect of air pollution on nitrogen fixation in lichens

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

    Kallio, S.; Varheenmaa, T.

    1974-01-01

    Clear decrease (80-90%) of acetylene reduction in Stereocaulon paschale and Nephroma arcticum was observed in the polluted city area of Turku (SW Finland) within a period of three-four weeks, while nitrogenase activity remained unchanged in the specimens outside the city area. Carbon dioxide fixation in these lichens lowered 20-50%.

  1. A study on the indirect urea dosing method in the Selective Catalytic Reduction system

    NASA Astrophysics Data System (ADS)

    Brzeżański, M.; Sala, R.

    2016-09-01

    This article presents the results of studies on concept solution of dosing urea in a gas phase in a selective catalytic reduction system. The idea of the concept was to heat-up and evaporate the water urea solution before introducing it into the exhaust gas stream. The aim was to enhance the processes of urea converting into ammonia, what is the target reductant for nitrogen oxides treatment. The study was conducted on a medium-duty Euro 5 diesel engine with exhaust line consisting of DOC catalyst, DPF filter and an SCR system with a changeable setup allowing to dose the urea in liquid phase (regular solution) and to dose it in a gas phase (concept solution). The main criteria was to assess the effect of physical state of urea dosed on the NOx conversion ratio in the SCR catalyst. In order to compare both urea dosing methods a special test procedure was developed which consisted of six test steps covering a wide temperature range of exhaust gas generated at steady state engine operation condition. Tests were conducted for different urea dosing quantities defined by the a equivalence ratio. Based on the obtained results, a remarkable improvement in NOx reduction was found for gas urea application in comparison to the standard liquid urea dosing. Measured results indicate a high potential to increase an efficiency of the SCR catalyst by using a gas phase urea and provide the basis for further scientific research on this type of concept.

  2. Technologies for Turbofan Noise Reduction

    NASA Technical Reports Server (NTRS)

    Huff, Dennis

    2005-01-01

    An overview presentation of NASA's engine noise research since 1992 is given for subsonic commercial aircraft applications. Highlights are included from the Advanced Subsonic Technology (AST) Noise Reduction Program and the Quiet Aircraft Technology (QAT) project with emphasis on engine source noise reduction. Noise reduction goals for 10 EPNdB by 207 and 20 EPNdB by 2022 are reviewed. Fan and jet noise technologies are highlighted from the AST program including higher bypass ratio propulsion, scarf inlets, forward-swept fans, swept/leaned stators, chevron nozzles, noise prediction methods, and active noise control for fans. Source diagnostic tests for fans and jets that have been completed over the past few years are presented showing how new flow measurement methods such as Particle Image Velocimetry (PIV) have played a key role in understanding turbulence, the noise generation process, and how to improve noise prediction methods. Tests focused on source decomposition have helped identify which engine components need further noise reduction. The role of Computational AeroAcoustics (CAA) for fan noise prediction is presented. Advanced noise reduction methods such as Hershel-Quincke tubes and trailing edge blowing for fan noise that are currently being pursued n the QAT program are also presented. Highlights are shown form engine validation and flight demonstrations that were done in the late 1990's with Pratt & Whitney on their PW4098 engine and Honeywell on their TFE-731-60 engine. Finally, future propulsion configurations currently being studied that show promise towards meeting NASA's long term goal of 20 dB noise reduction are shown including a Dual Fan Engine concept on a Blended Wing Body aircraft.

  3. Multi-element least square HDMR methods and their applications for stochastic multiscale model reduction

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

    Jiang, Lijian, E-mail: ljjiang@hnu.edu.cn; Li, Xinping, E-mail: exping@126.com

    Stochastic multiscale modeling has become a necessary approach to quantify uncertainty and characterize multiscale phenomena for many practical problems such as flows in stochastic porous media. The numerical treatment of the stochastic multiscale models can be very challengeable as the existence of complex uncertainty and multiple physical scales in the models. To efficiently take care of the difficulty, we construct a computational reduced model. To this end, we propose a multi-element least square high-dimensional model representation (HDMR) method, through which the random domain is adaptively decomposed into a few subdomains, and a local least square HDMR is constructed in eachmore » subdomain. These local HDMRs are represented by a finite number of orthogonal basis functions defined in low-dimensional random spaces. The coefficients in the local HDMRs are determined using least square methods. We paste all the local HDMR approximations together to form a global HDMR approximation. To further reduce computational cost, we present a multi-element reduced least-square HDMR, which improves both efficiency and approximation accuracy in certain conditions. To effectively treat heterogeneity properties and multiscale features in the models, we integrate multiscale finite element methods with multi-element least-square HDMR for stochastic multiscale model reduction. This approach significantly reduces the original model's complexity in both the resolution of the physical space and the high-dimensional stochastic space. We analyze the proposed approach, and provide a set of numerical experiments to demonstrate the performance of the presented model reduction techniques. - Highlights: • Multi-element least square HDMR is proposed to treat stochastic models. • Random domain is adaptively decomposed into some subdomains to obtain adaptive multi-element HDMR. • Least-square reduced HDMR is proposed to enhance computation efficiency and approximation accuracy in

  4. Mindfulness-Based Stress Reduction for lung cancer patients and their partners: Results of a mixed methods pilot study.

    PubMed

    van den Hurk, Desiree G M; Schellekens, Melanie P J; Molema, Johan; Speckens, Anne E M; van der Drift, Miep A

    2015-07-01

    Lung cancer patients and partners show high rates of impaired quality of life and heightened distress levels. Mindfulness-Based Stress Reduction has proven to be effective in reducing psychological distress in cancer patients. However, studies barely included lung cancer patients. We examined whether Mindfulness-Based Stress Reduction might be a feasible and effective intervention for patients with lung cancer and partners. Mindfulness-Based Stress Reduction is a training in which mindfulness practices are combined with psycho-education to help participants cope with distress. In this mixed methods pilot study, questionnaires on psychological distress and quality of life were administered before, directly after and 3 months after the Mindfulness-Based Stress Reduction training, in combination with semi-structured interviews. Patients with lung cancer and partners were recruited at one tertiary care academic medical centre. A total of 19 lung cancer patients and 16 partners participated in the Mindfulness-Based Stress Reduction training. Most patients were diagnosed with advanced stage lung cancer. Vast majority completed the training. Those receiving anti-cancer treatment did not miss more sessions than patients who were not currently treated. Patients and partners felt positive about participating in a peer group and with their partner. Among participants no significant changes were found in psychological distress. Caregiver burden in partners decreased significantly after following Mindfulness-Based Stress Reduction. The qualitative analysis showed that the training seemed to instigate a process of change in participants. The Mindfulness-Based Stress Reduction training seemed to be feasible for patients with lung cancer and their partners. A randomized controlled trial is needed to examine the effectiveness of Mindfulness-Based Stress Reduction in reducing psychological distress in lung cancer patients and partners. © The Author(s) 2015.

  5. Design and study on optic fiber sensor detection system

    NASA Astrophysics Data System (ADS)

    Jiang, Xuemei; Liu, Quan; Liang, Xiaoyu; Lin, Haiyan

    2005-11-01

    With the development of industry and agriculture, the environmental pollution becomes more and more serious. Various kinds of poisonous gas are the important pollution sources. Various kinds of poisonous gas, such as the carbon monoxide, sulfureted hydrogen, sulfur dioxide, methane, acetylene are threatening human normal life and production seriously especially today when industry and various kinds of manufacturing industries develop at full speed. The acetylene is a kind of gas with very lively chemical property, extremely apt to burn, resolve and explode, and it is great to destroy things among these poisonous gases. Comparing with other inflammable and explosive gas, the explosion range of the acetylene is heavier. Therefore carrying on monitoring acetylene pollution sources scene in real time, grasping the state of pollution taking place and development in time, have very important meanings. Aim at the above problems, a set of optical fiber detection system of acetylene gas based on the characteristic of spectrum absorption of acetylene is presented in this paper, which has reference channel and is for on-line and real-time detection. In order to eliminate the effect of other factors on measurement precision, the double light sources, double light paths and double cells are used in this system. Because of the use of double wavelength compensating method, this system can eliminate the disturbance in the optical paths, the problem of instability is solved and the measurement precision is greatly enhanced. Some experimental results are presented at the end of this paper.

  6. Reductive capacity measurement of waste forms for secondary radioactive wastes

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

    Um, Wooyong; Yang, Jung-Seok; Serne, R. Jeffrey

    2015-12-01

    The reductive capacities of dry ingredients and final solid waste forms were measured using both the Cr(VI) and Ce(IV) methods and the results were compared. Blast furnace slag (BFS), sodium sulfide, SnF2, and SnCl2 used as dry ingredients to make various waste forms showed significantly higher reductive capacities compared to other ingredients regardless of which method was used. Although the BFS exhibits appreciable reductive capacity, it requires greater amounts of time to fully react. In almost all cases, the Ce(IV) method yielded larger reductive capacity values than those from the Cr(VI) method and can be used as an upper boundmore » for the reductive capacity of the dry ingredients and waste forms, because the Ce(IV) method subjects the solids to a strong acid (low pH) condition that dissolves much more of the solids. Because the Cr(VI) method relies on a neutral pH condition, the Cr(VI) method can be used to estimate primarily the waste form surface-related and readily dissolvable reductive capacity. However, the Cr(VI) method does not measure the total reductive capacity of the waste form, the long-term reductive capacity afforded by very slowly dissolving solids, or the reductive capacity present in the interior pores and internal locations of the solids.« less

  7. An adaptive proper orthogonal decomposition method for model order reduction of multi-disc rotor system

    NASA Astrophysics Data System (ADS)

    Jin, Yulin; Lu, Kuan; Hou, Lei; Chen, Yushu

    2017-12-01

    The proper orthogonal decomposition (POD) method is a main and efficient tool for order reduction of high-dimensional complex systems in many research fields. However, the robustness problem of this method is always unsolved, although there are some modified POD methods which were proposed to solve this problem. In this paper, a new adaptive POD method called the interpolation Grassmann manifold (IGM) method is proposed to address the weakness of local property of the interpolation tangent-space of Grassmann manifold (ITGM) method in a wider parametric region. This method is demonstrated here by a nonlinear rotor system of 33-degrees of freedom (DOFs) with a pair of liquid-film bearings and a pedestal looseness fault. The motion region of the rotor system is divided into two parts: simple motion region and complex motion region. The adaptive POD method is compared with the ITGM method for the large and small spans of parameter in the two parametric regions to present the advantage of this method and disadvantage of the ITGM method. The comparisons of the responses are applied to verify the accuracy and robustness of the adaptive POD method, as well as the computational efficiency is also analyzed. As a result, the new adaptive POD method has a strong robustness and high computational efficiency and accuracy in a wide scope of parameter.

  8. Influence of External Nitrogen on Nitrogenase Enzyme Activity and Auxin Production in Herbaspirillum seropedicae (Z78).

    PubMed

    Yin, Tan Tzy; Pin, Ui Li; Ghazali, Amir Hamzah Ahmad

    2015-04-01

    The production of nitrogenase enzyme and auxins by free living diazotrophs has the potential to influence the growth of host plants. In this study, diazotrophs were grown in the presence of various concentrations of nitogen (N) to determine the optimal concentration of N for microbial growth stimulation, promotion of gaseous N (N2) fixation, and phytohormone production. Therefore, we investigate whether different levels of N supplied to Herbaspirillum seropedicae (Z78) have significant effects on nitrogenase activity and auxin production. The highest nitrogenase activity and the lowest auxin production of H. seropedicae (Z78) were both recorded at 0 gL(-1) of NH4Cl. Higher levels of external N caused a significant decrease in the nitrogenase activity and an increased production of auxins. In a subsequent test, two different inoculum sizes of Z78 (10(6) and 10(12) cfu/ml) were used to study the effect of different percentages of acetylene on nitrogenase activity of the inoculum via the acetylene reduction assay (ARA). The results showed that the optimal amount of acetylene required for nitrogenase enzyme activity was 5% for the 10(6) cfu/ml inoculum, whereas the higher inoculum size (10(12) cfu/ml) required at least 10% of acetylene for optimal nitrogenase activity. These findings provide a clearer understanding of the effects of N levels on diazotrophic nitrogenase activity and auxin production, which are important factors influencing plant growth.

  9. Influence of External Nitrogen on Nitrogenase Enzyme Activity and Auxin Production in Herbaspirillum seropedicae (Z78)

    PubMed Central

    Yin, Tan Tzy; Pin, Ui Li; Ghazali, Amir Hamzah Ahmad

    2015-01-01

    The production of nitrogenase enzyme and auxins by free living diazotrophs has the potential to influence the growth of host plants. In this study, diazotrophs were grown in the presence of various concentrations of nitogen (N) to determine the optimal concentration of N for microbial growth stimulation, promotion of gaseous N (N2) fixation, and phytohormone production. Therefore, we investigate whether different levels of N supplied to Herbaspirillum seropedicae (Z78) have significant effects on nitrogenase activity and auxin production. The highest nitrogenase activity and the lowest auxin production of H. seropedicae (Z78) were both recorded at 0 gL−1 of NH4Cl. Higher levels of external N caused a significant decrease in the nitrogenase activity and an increased production of auxins. In a subsequent test, two different inoculum sizes of Z78 (106 and 1012 cfu/ml) were used to study the effect of different percentages of acetylene on nitrogenase activity of the inoculum via the acetylene reduction assay (ARA). The results showed that the optimal amount of acetylene required for nitrogenase enzyme activity was 5% for the 106 cfu/ml inoculum, whereas the higher inoculum size (1012 cfu/ml) required at least 10% of acetylene for optimal nitrogenase activity. These findings provide a clearer understanding of the effects of N levels on diazotrophic nitrogenase activity and auxin production, which are important factors influencing plant growth. PMID:26868594

  10. [Efficiency of industrial energy conservation and carbon emission reduction in Liaoning Pro-vince based on data envelopment analysis (DEA)method.

    PubMed

    Wang, Li; Xi, Feng Ming; Li, Jin Xin; Liu, Li Li

    2016-09-01

    Taking 39 industries as independent decision-making units in Liaoning Province from 2003 to 2012 and considering the benefits of energy, economy and environment, we combined direction distance function and radial DEA method to estimate and decompose the energy conservation and carbon emissions reduction efficiency of the industries. Carbon emission of each industry was calculated and defined as an undesirable output into the model of energy saving and carbon emission reduction efficiency. The results showed that energy saving and carbon emission reduction efficiency of industries had obvious heterogeneity in Liaoning Province. The whole energy conservation and carbon emissions reduction efficiency in each industry of Liaoning Province was not high, but it presented a rising trend. Improvements of pure technical efficiency and scale efficiency were the main measures to enhance energy saving and carbon emission reduction efficiency, especially scale efficiency improvement. In order to improve the energy saving and carbon emission reduction efficiency of each industry in Liaoning Province, we put forward that Liaoning Province should adjust industry structure, encourage the development of low carbon high benefit industries, improve scientific and technological level and adjust the industry scale reasonably, meanwhile, optimize energy structure, and develop renewable and clean energy.

  11. Methods to Approach Velocity Data Reduction and Their Effects on Conformation Statistics in Viscoelastic Turbulent Channel Flows

    NASA Astrophysics Data System (ADS)

    Samanta, Gaurab; Beris, Antony; Handler, Robert; Housiadas, Kostas

    2009-03-01

    Karhunen-Loeve (KL) analysis of DNS data of viscoelastic turbulent channel flows helps us to reveal more information on the time-dependent dynamics of viscoelastic modification of turbulence [Samanta et. al., J. Turbulence (in press), 2008]. A selected set of KL modes can be used for a data reduction modeling of these flows. However, it is pertinent that verification be done against established DNS results. For this purpose, we did comparisons of velocity and conformations statistics and probability density functions (PDFs) of relevant quantities obtained from DNS and reconstructed fields using selected KL modes and time-dependent coefficients. While the velocity statistics show good agreement between results from DNS and KL reconstructions even with just hundreds of KL modes, tens of thousands of KL modes are required to adequately capture the trace of polymer conformation resulting from DNS. New modifications to KL method have therefore been attempted to account for the differences in conformation statistics. The applicability and impact of these new modified KL methods will be discussed in the perspective of data reduction modeling.

  12. Transition metal catalyzed manipulation of non-polar carbon–hydrogen bonds for synthetic purpose

    PubMed Central

    MURAI, Shinji

    2011-01-01

    The direct addition of ortho C–H bonds in various aromatic compounds such as ketones, esters, imines, imidates, nitriles, and aldehydes to olefins and acetylenes can be achieved with the aid of transition metal catalysts. The ruthenium catalyzed reaction is usually highly efficient and useful as a general synthetic method. The coordination to the metal center by a heteroatom in a directing group such as carbonyl and imino groups in aromatic compounds is the key step in this process. Mechanistically, the reductive elimination to form a C–C bond is the rate-determining step, while the C–H bond cleavage step is not. PMID:21558759

  13. JASMINE design and method of data reduction

    NASA Astrophysics Data System (ADS)

    Yamada, Yoshiyuki; Gouda, Naoteru; Yano, Taihei; Kobayashi, Yukiyasu; Niwa, Yoshito

    2008-07-01

    Japan Astrometry Satellite Mission for Infrared Exploration (JASMINE) aims to construct a map of the Galactic bulge with 10 μ arc sec accuracy. We use z-band CCD for avoiding dust absorption, and observe about 10 × 20 degrees area around the Galactic bulge region. Because the stellar density is very high, each FOVs can be combined with high accuracy. With 5 years observation, we will construct 10 μ arc sec accurate map. In this poster, I will show the observation strategy, design of JASMINE hardware, reduction scheme, and error budget. We also construct simulation software named JASMINE Simulator. We also show the simulation results and design of software.

  14. Modular cathode assemblies and methods of using the same for electrochemical reduction

    DOEpatents

    Wiedmeyer, Stanley G; Barnes, Laurel A; Williamson, Mark A; Willit, James L

    2014-12-02

    Modular cathode assemblies are useable in electrolytic reduction systems and include a basket through which fluid electrolyte may pass and exchange charge with a material to be reduced in the basket. The basket can be divided into upper and lower sections to provide entry for the material. Example embodiment cathode assemblies may have any shape to permit modular placement at any position in reduction systems. Modular cathode assemblies include a cathode plate in the basket, to which unique and opposite electrical power may be supplied. Example embodiment modular cathode assemblies may have standardized electrical connectors. Modular cathode assemblies may be supported by a top plate of an electrolytic reduction system. Electrolytic oxide reduction systems are operated by positioning modular cathode and anode assemblies at desired positions, placing a material in the basket, and charging the modular assemblies to reduce the metal oxide.

  15. The boomerang osteotomy -- a new method of reduction malarplasty.

    PubMed

    Nakanishi, Yuji; Nagasao, Tomohisa; Shimizu, Yusuke; Miyamoto, Junpei; Kishi, Kazuo; Fukuta, Keizo

    2012-05-01

    To achieve optimal outcomes in reduction malarplasty, it is important to preserve the natural curvature of the cheek while reducing the zygoma prominence and the width of the midface. The present article introduces an effective technique that aims to achieve these purposes. Through an intraoral approach, boomerang-shaped bone incision lines are marked on the anterior aspect of the zygomatico-maxillary junction. The lines are placed medial to the most prominent part of the zygoma. The zygomatic arch is divided at its posterior part through a small incision made in the pre-auricular region. By performing these manoeuvres, a unit of bone-composed of a part of the zygoma body and zygomatic arch - is mobilised. The mobilised bone is shifted medially, reducing the width of the midface and making the zygoma region less prominent. After performing reduction malarplasty for 89 patients (10 males and 79 females) using this technique, clinical outcomes were evaluated. Outcomes of the treatment was optimal, with over 80% of the patients evaluating the results as excellent in terms of effectiveness in malar prominence, facial width and symmetry. Because the continuity of the main part of the zygoma body and zygomatic arch is preserved in our technique, medial transfer of the zygoma is enabled while preserving the natural curvature of the malar region and the superior-inferior position of the zygomatic arch. Because of these advantages, we recommend our technique as an effective technique of reduction malarplasty. Copyright © 2012 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

  16. Optimization of Quenching Parameters for the Reduction of Titaniferous Magnetite Ore by Lean Grade Coal Using the Taguchi Method and Its Isothermal Kinetic Study

    NASA Astrophysics Data System (ADS)

    Sarkar, Bitan Kumar; Kumar, Nikhil; Dey, Rajib; Das, Gopes Chandra

    2018-06-01

    In the present study, a unique method is adopted to achieve higher reducibility of titaniferous magnetite lump ore (TMO). In this method, TMO is initially heated followed by water quenching. The quenching process generates cracks due to thermal shock in the dense TMO lumps, which, in turn, increases the extent of reduction (EOR) using the lean grade coal as a reductant. The optimum combination of parameters found by using Taguchi's L27 orthogonal array (OA) (five factors, three levels) is - 8 + 4 mm of particle size (PS1), 1423 K of quenching temperature (Qtemp2), 15 minutes of quenching time (Qtime3), 3 times the number of quenching {(No. of Q)3}, and 120 minutes of reduction time (Rtime3) at fixed reduction temperature of 1473 K. At optimized levels of the parameters, 92.39 pct reduction is achieved. Isothermal reduction kinetics of the quenched TMO lumps at the optimized condition reveals mixed controlled mechanisms [initially contracting geometry (CG3) followed by diffusion (D3)]. Activation energies calculated are 69.895 KJ/mole for CG3 and 39.084 KJ/mole for D3.

  17. Novel Signal Noise Reduction Method through Cluster Analysis, Applied to Photoplethysmography.

    PubMed

    Waugh, William; Allen, John; Wightman, James; Sims, Andrew J; Beale, Thomas A W

    2018-01-01

    Physiological signals can often become contaminated by noise from a variety of origins. In this paper, an algorithm is described for the reduction of sporadic noise from a continuous periodic signal. The design can be used where a sample of a periodic signal is required, for example, when an average pulse is needed for pulse wave analysis and characterization. The algorithm is based on cluster analysis for selecting similar repetitions or pulses from a periodic single. This method selects individual pulses without noise, returns a clean pulse signal, and terminates when a sufficiently clean and representative signal is received. The algorithm is designed to be sufficiently compact to be implemented on a microcontroller embedded within a medical device. It has been validated through the removal of noise from an exemplar photoplethysmography (PPG) signal, showing increasing benefit as the noise contamination of the signal increases. The algorithm design is generalised to be applicable for a wide range of physiological (physical) signals.

  18. Reduction of chemical reaction models

    NASA Technical Reports Server (NTRS)

    Frenklach, Michael

    1991-01-01

    An attempt is made to reconcile the different terminologies pertaining to reduction of chemical reaction models. The approaches considered include global modeling, response modeling, detailed reduction, chemical lumping, and statistical lumping. The advantages and drawbacks of each of these methods are pointed out.

  19. Reduction of speckle noise from optical coherence tomography images using multi-frame weighted nuclear norm minimization method

    NASA Astrophysics Data System (ADS)

    Thapa, Damber; Raahemifar, Kaamran; Lakshminarayanan, Vasudevan

    2015-12-01

    In this paper, we propose a speckle noise reduction method for spectral-domain optical coherence tomography (SD-OCT) images called multi-frame weighted nuclear norm minimization (MWNNM). This method is a direct extension of weighted nuclear norm minimization (WNNM) in the multi-frame framework since an adequately denoised image could not be achieved with single-frame denoising methods. The MWNNM method exploits multiple B-scans collected from a small area of a SD-OCT volumetric image, and then denoises and averages them together to obtain a high signal-to-noise ratio B-scan. The results show that the image quality metrics obtained by denoising and averaging only five nearby B-scans with MWNNM method is considerably better than those of the average image obtained by registering and averaging 40 azimuthally repeated B-scans.

  20. Modular cathode assemblies and methods of using the same for electrochemical reduction

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

    Wiedmeyer, Stanley G.; Barnes, Laurel A.; Williamson, Mark A.

    Modular cathode assemblies are useable in electrolytic reduction systems and include a basket through which fluid electrolyte may pass and exchange charge with a material to be reduced in the basket. The basket can be divided into upper and lower sections to provide entry for the material. Example embodiment cathode assemblies may have any shape to permit modular placement at any position in reduction systems. Modular cathode assemblies include a cathode plate in the basket, to which unique and opposite electrical power may be supplied. Example embodiment modular cathode assemblies may have standardized electrical connectors. Modular cathode assemblies may bemore » supported by a top plate of an electrolytic reduction system. Electrolytic oxide reduction systems are operated by positioning modular cathode and anode assemblies at desired positions, placing a material in the basket, and charging the modular assemblies to reduce the metal oxide.« less

  1. Viscous drag reduction in boundary layers

    NASA Technical Reports Server (NTRS)

    Bushnell, Dennis M. (Editor); Hefner, Jerry N. (Editor)

    1990-01-01

    The present volume discusses the development status of stability theory for laminar flow control design, applied aspects of laminar-flow technology, transition delays using compliant walls, the application of CFD to skin friction drag-reduction, active-wave control of boundary-layer transitions, and such passive turbulent-drag reduction methods as outer-layer manipulators and complex-curvature concepts. Also treated are such active turbulent drag-reduction technique applications as those pertinent to MHD flow drag reduction, as well as drag reduction in liquid boundary layers by gas injection, drag reduction by means of polymers and surfactants, drag reduction by particle addition, viscous drag reduction via surface mass injection, and interactive wall-turbulence control.

  2. Time-dependent areal mass density for disc-shaped substrates in a corona-activated flow stream at atmospheric pressure for argon/acetylene admixture

    NASA Astrophysics Data System (ADS)

    Xie, Shuzheng; Islam, Rokibul; Hussein, Bashir; Englund, Karl; Pedrow, Patrick

    2015-09-01

    In this research we use a 40-needle array energized with 60 Hz AC voltage in the range 5 to 15 kV RMS. Plasma processing takes place downstream from a grounded planar screen (the opposing electrode). The needle-to-screen gap is in the range 4 to 10 cm and its E-field generates weakly ionized plasma via streamers and back corona. Deposited material is plasma-polymerized acetylene. Substrates are potassium bromide, mica, wood, paper, and gold-covered solids. Substrate chemical species influence the efficiency with which the disc amasses plasma-polymerized material, at least until the substrate is fully covered with film. Early plasma-polymerization is accompanied by nucleation-site-dominated nodules but longer term deposition results in a film that fully covers the substrate. We will report on time-dependent areal mass density associated with run times in the range 5-60 minutes. Film thickness will be measured using instruments that include visible light microscopy, TEM, and SEM. Others in our research group are studying areal mass density for early times (1-5 minutes) when nodule growth (at nucleation sites) dominates the deposition process.

  3. Effective dimension reduction for sparse functional data

    PubMed Central

    YAO, F.; LEI, E.; WU, Y.

    2015-01-01

    Summary We propose a method of effective dimension reduction for functional data, emphasizing the sparse design where one observes only a few noisy and irregular measurements for some or all of the subjects. The proposed method borrows strength across the entire sample and provides a way to characterize the effective dimension reduction space, via functional cumulative slicing. Our theoretical study reveals a bias-variance trade-off associated with the regularizing truncation and decaying structures of the predictor process and the effective dimension reduction space. A simulation study and an application illustrate the superior finite-sample performance of the method. PMID:26566293

  4. Improved Kalman Filter Method for Measurement Noise Reduction in Multi Sensor RFID Systems

    PubMed Central

    Eom, Ki Hwan; Lee, Seung Joon; Kyung, Yeo Sun; Lee, Chang Won; Kim, Min Chul; Jung, Kyung Kwon

    2011-01-01

    Recently, the range of available Radio Frequency Identification (RFID) tags has been widened to include smart RFID tags which can monitor their varying surroundings. One of the most important factors for better performance of smart RFID system is accurate measurement from various sensors. In the multi-sensing environment, some noisy signals are obtained because of the changing surroundings. We propose in this paper an improved Kalman filter method to reduce noise and obtain correct data. Performance of Kalman filter is determined by a measurement and system noise covariance which are usually called the R and Q variables in the Kalman filter algorithm. Choosing a correct R and Q variable is one of the most important design factors for better performance of the Kalman filter. For this reason, we proposed an improved Kalman filter to advance an ability of noise reduction of the Kalman filter. The measurement noise covariance was only considered because the system architecture is simple and can be adjusted by the neural network. With this method, more accurate data can be obtained with smart RFID tags. In a simulation the proposed improved Kalman filter has 40.1%, 60.4% and 87.5% less Mean Squared Error (MSE) than the conventional Kalman filter method for a temperature sensor, humidity sensor and oxygen sensor, respectively. The performance of the proposed method was also verified with some experiments. PMID:22346641

  5. Improved Kalman filter method for measurement noise reduction in multi sensor RFID systems.

    PubMed

    Eom, Ki Hwan; Lee, Seung Joon; Kyung, Yeo Sun; Lee, Chang Won; Kim, Min Chul; Jung, Kyung Kwon

    2011-01-01

    Recently, the range of available radio frequency identification (RFID) tags has been widened to include smart RFID tags which can monitor their varying surroundings. One of the most important factors for better performance of smart RFID system is accurate measurement from various sensors. In the multi-sensing environment, some noisy signals are obtained because of the changing surroundings. We propose in this paper an improved Kalman filter method to reduce noise and obtain correct data. Performance of Kalman filter is determined by a measurement and system noise covariance which are usually called the R and Q variables in the Kalman filter algorithm. Choosing a correct R and Q variable is one of the most important design factors for better performance of the Kalman filter. For this reason, we proposed an improved Kalman filter to advance an ability of noise reduction of the Kalman filter. The measurement noise covariance was only considered because the system architecture is simple and can be adjusted by the neural network. With this method, more accurate data can be obtained with smart RFID tags. In a simulation the proposed improved Kalman filter has 40.1%, 60.4% and 87.5% less mean squared error (MSE) than the conventional Kalman filter method for a temperature sensor, humidity sensor and oxygen sensor, respectively. The performance of the proposed method was also verified with some experiments.

  6. The Reduction of Ducted Fan Engine Noise Via A Boundary Integral Equation Method

    NASA Technical Reports Server (NTRS)

    Tweed, J.; Dunn, M.

    1997-01-01

    The development of a Boundary Integral Equation Method (BIEM) for the prediction of ducted fan engine noise is discussed. The method is motivated by the need for an efficient and versatile computational tool to assist in parametric noise reduction studies. In this research, the work in reference 1 was extended to include passive noise control treatment on the duct interior. The BEM considers the scattering of incident sound generated by spinning point thrust dipoles in a uniform flow field by a thin cylindrical duct. The acoustic field is written as a superposition of spinning modes. Modal coefficients of acoustic pressure are calculated term by term. The BEM theoretical framework is based on Helmholtz potential theory. A boundary value problem is converted to a boundary integral equation formulation with unknown single and double layer densities on the duct wall. After solving for the unknown densities, the acoustic field is easily calculated. The main feature of the BIEM is the ability to compute any portion of the sound field without the need to compute the entire field. Other noise prediction methods such as CFD and Finite Element methods lack this property. Additional BIEM attributes include versatility, ease of use, rapid noise predictions, coupling of propagation and radiation both forward and aft, implementable on midrange personal computers, and valid over a wide range of frequencies.

  7. Hybrid CMS methods with model reduction for assembly of structures

    NASA Technical Reports Server (NTRS)

    Farhat, Charbel

    1991-01-01

    Future on-orbit structures will be designed and built in several stages, each with specific control requirements. Therefore there must be a methodology which can predict the dynamic characteristics of the assembled structure, based on the dynamic characteristics of the subassemblies and their interfaces. The methodology developed by CSC to address this issue is Hybrid Component Mode Synthesis (HCMS). HCMS distinguishes itself from standard component mode synthesis algorithms in the following features: (1) it does not require the subcomponents to have displacement compatible models, which makes it ideal for analyzing the deployment of heterogeneous flexible multibody systems, (2) it incorporates a second-level model reduction scheme at the interface, which makes it much faster than other algorithms and therefore suitable for control purposes, and (3) it does answer specific questions such as 'how does the global fundamental frequency vary if I change the physical parameters of substructure k by a specified amount?'. Because it is based on an energy principle rather than displacement compatibility, this methodology can also help the designer to define an assembly process. Current and future efforts are devoted to applying the HCMS method to design and analyze docking and berthing procedures in orbital construction.

  8. Horizontal decomposition of data table for finding one reduct

    NASA Astrophysics Data System (ADS)

    Hońko, Piotr

    2018-04-01

    Attribute reduction, being one of the most essential tasks in rough set theory, is a challenge for data that does not fit in the available memory. This paper proposes new definitions of attribute reduction using horizontal data decomposition. Algorithms for computing superreduct and subsequently exact reducts of a data table are developed and experimentally verified. In the proposed approach, the size of subtables obtained during the decomposition can be arbitrarily small. Reducts of the subtables are computed independently from one another using any heuristic method for finding one reduct. Compared with standard attribute reduction methods, the proposed approach can produce superreducts that usually inconsiderably differ from an exact reduct. The approach needs comparable time and much less memory to reduce the attribute set. The method proposed for removing unnecessary attributes from superreducts executes relatively fast for bigger databases.

  9. Simultaneous reduction and nitrogen functionalization of graphene oxide using lemon for metal-free oxygen reduction reaction

    NASA Astrophysics Data System (ADS)

    Begum, Halima; Ahmed, Mohammad Shamsuddin; Cho, Sung; Jeon, Seungwon

    2017-12-01

    Inspire by the vision of finding a simple and green method for simultaneous reduction and nitrogen (N)-functionalization of graphene oxide (GO), a N-rich reduced graphene oxide (rGO) has been synthesized through a facile and ecofriendly hydrothermal strategy while most of the existing methods are involving with multiple steps and highly toxic reducing agents that are harmful to human health and environment. In this paper, the simultaneous reduction and N-functionalization of GO using as available lemon juice (denoted as Lem-rGO) for metal-free electrocatalysis towards oxygen reduction reaction (ORR) is described. The proposed method is based on the reduction of GO using of the reducing and the N-precursor capability of ascorbic acid and citric acid as well as the nitrogenous compounds, respectively, that containing in lemon juice. The resultant Lem-rGO has higher reduction degree, higher specific surface area and better crystalline nature with N-incorporation than that of well investigated ascorbic acid and citric acid treated rGO. As a result, it shows better ORR electrocatalytic activity in respect to the improved onset potential, electron transfer rate and kinetics than those typical rGO catalysts. Moreover, it shows a significant tolerance to the anodic fuels and durability than the Pt/C during ORR.

  10. New and modified techniques for studying nitrogen-fixing bacteria in small mammal droppings.

    Treesearch

    C.Y. Li; Chris Maser

    1986-01-01

    Nitrogen-fixing bacteria in small mammal droppings are potentially important to forest productivity. As we study this phenomenon, however, we continually find unknowns, such as bacteria that we cannot isolate and purify because we do not know which techniques to use. For example, we have recently observed acetylene reduction in the droppings of the tundra vole (

  11. Demonstration of an optical frequency synthesizer with zero carrier-envelope-offset frequency stabilized by the direct locking method.

    PubMed

    Kim, Eok Bong; Lee, Jae-hwan; Trung, Luu Tran; Lee, Wong-Kyu; Yu, Dai-Hyuk; Ryu, Han Young; Nam, Chang Hee; Park, Chang Yong

    2009-11-09

    We developed an optical frequency synthesizer (OFS) with the carrier-envelope-offset frequency locked to 0 Hz achieved using the "direct locking method." This method differs from a conventional phaselock method in that the interference signal from a self-referencing f-2f interferometer is directly fed back to the carrier-envelope-phase control of a femtosecond laser in the time domain. A comparison of the optical frequency of the new OFS to that of a conventional OFS stabilized by a phase-lock method showed that the frequency comb of the new OFS was not different to that of the conventional OFS within an uncertainty of 5.68x10(-16). As a practical application of this OFS, we measured the absolute frequency of an acetylene-stabilized diode laser serving as an optical frequency standard in optical communications.

  12. Application of Internal Standard Method for Several 3d-Transition Metallic Elements in Flame Atomic Absorption Spectrometry Using a Multi-wavelength High-resolution Spectrometer.

    PubMed

    Toya, Yusuke; Itagaki, Toshiko; Wagatsuma, Kazuaki

    2017-01-01

    We investigated a simultaneous internal standard method in flame atomic absorption spectrometry (FAAS), in order to better the analytical precision of 3d-transition metals contained in steel materials. For this purpose, a new spectrometer system for FAAS, comprising a bright xenon lamp as the primary radiation source and a high-resolution Echelle monochromator, was employed to measure several absorption lines at a wavelength width of ca. 0.3 nm at the same time, which enables the absorbances of an analytical line and also an internal standard line to be estimated. In considering several criteria for selecting an internal standard element and the absorption line, it could be suggested that platinum-group elements: ruthenium, rhodium, or palladium, were suitable for an internal standard element to determine the 3d-transition metal elements, such as titanium, iron, and nickel, by measuring an appropriate pair of these absorption lines simultaneously. Several variances of the absorption signal, such as a variation in aspirated amounts of sample solution and a short-period drift of the primary light source, would be corrected and thus reduced, when the absorbance ratio of the analytical line to the internal standard line was measured. In Ti-Pd, Ni-Rh, and Fe-Ru systems chosen as typical test samples, the repeatability of the signal respnses was investigated with/without the internal standard method, resulting in better precision when the internal standard method was applied in the FAAS with a nitrous oxide-acetylene flame rather than an air-acetylene flame.

  13. Method for growth of crystals by pressure reduction of supercritical or subcritical solution

    NASA Technical Reports Server (NTRS)

    Shlichta, P. J. (Inventor)

    1985-01-01

    Crystals of high morphological quality are grown by dissolution of a substance to be grown into the crystal in a suitable solvent under high pressure, and by subsequent slow, time-controlled reduction of the pressure of the resulting solution. During the reduction of the pressure interchange of heat between the solution and the environment is minimized by performing the pressure reduction either under isothermal or adiabatic conditions.

  14. SU-F-J-39: Dose Reduction Strategy Using Attenuation-Based Tube Current Modulation Method in CBCT for IGRT

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

    Son, K; Lee, H; Kim, C

    2016-06-15

    Purpose: To reduce radiation dose to the patients, tube current modulation (TCM) method has been actively used in diagnostic CT systems. However, TCM method has not yet been applied to a kV-CBCT system on a LINAC machine. The purpose of this study is to investigate whether the use of TCM method is desirable in kV-CBCT system for IGRT. We have developed an attenuation-based tube current modulation (a-TCM) method using the prior knowledge of treatment CT image of a patient. Methods: Patients go through a diagnostic CT scan for RT planning; therefore, using this prior information of CT images, one canmore » estimate the total attenuation of an x-ray through the patient body in a CBCT setting for radiation therapy. We performed a numerical study incorporating major factors into account such as polychromatic x-ray, scatter, noise, and bow-tie filter to demonstrate that a-TCM method can produce equivalent quality of images at reduced imaging radiation doses. Using the CT projector program, 680 projection images of the pediatric XCAT phantom were obtained both in conventional scanning condition, i.e., without modulating the tube current, and in the proposed a-TCM scanning condition. FDK reconstruction algorithm was used for image reconstruction, and the organ dose due to imaging radiation has been calculated in both cases and compared using GATE/Geant4 simulation toolkit. Results: Reconstructed CT images in the a-TCM method showed similar SSIM values and noise properties to the reference images acquired by the conventional CBCT. In addition, reduction of organ doses ranged from 12% to 27%. Conclusion: We have successfully demonstrated the feasibility and dosimetric merit of the a-TCM method for kV-CBCT, and envision that it can be a useful option of CBCT scanning that provides patient dose reduction without degrading image quality.« less

  15. Mastication noise reduction method for fully implantable hearing aid using piezo-electric sensor.

    PubMed

    Na, Sung Dae; Lee, Gihyoun; Wei, Qun; Seong, Ki Woong; Cho, Jin Ho; Kim, Myoung Nam

    2017-07-20

    Fully implantable hearing devices (FIHDs) can be affected by generated biomechanical noise such as mastication noise. To reduce the mastication noise using a piezo-electric sensor, the mastication noise is measured with the piezo-electric sensor, and noise reduction is practiced by the energy difference. For the experiment on mastication noise, a skull model was designed using artificial skull model and a piezo-electric sensor that can measure the vibration signals better than other sensors. A 1 kHz pure-tone sound through a standard speaker was applied to the model while the lower jawbone of the model was moved in a masticatory fashion. The correlation coefficients and signal-to-noise ratio (SNR) before and after application of the proposed method were compared. It was found that the signal-to-noise ratio and correlation coefficients increased by 4.48 dB and 0.45, respectively. The mastication noise is measured by piezo-electric sensor as the mastication noise that occurred during vibration. In addition, the noise was reduced by using the proposed method in conjunction with MATLAB. In order to confirm the performance of the proposed method, the correlation coefficients and signal-to-noise ratio before and after signal processing were calculated. In the future, an implantable microphone for real-time processing will be developed.

  16. Acetylenotrophy: A hidden but ubiquitous microbial metabolism?

    USGS Publications Warehouse

    Akob, Denise M.; Sutton, John M.; Fierst, Janna L.; Haase, Karl B.; Baesman, Shaun; Luther, George; Miller, Laurence G.; Oremland, Ronald S.

    2018-01-01

    Acetylene (IUPAC name: ethyne) is a colorless, gaseous hydrocarbon, composed of two triple bonded carbon atoms attached to hydrogens (C2H2). When microbiologists and biogeochemists think of acetylene, they immediately think of its use as an inhibitory compound of certain microbial processes and a tracer for nitrogen fixation. However, what is less widely known is that anaerobic and aerobic microorganisms can degrade acetylene, using it as a sole carbon and energy source and providing the basis of a microbial food web. Here, we review what is known about acetylene degrading organisms and introduce the term 'acetylenotrophs' to refer to the microorganisms that carry out this metabolic pathway. In addition, we review the known environmental sources of acetylene and postulate the presence of an hidden acetylene cycle. The abundance of bacteria capable of using acetylene and other alkynes as an energy and carbon source suggests that there are energy cycles present in the environment that are driven by acetylene and alkyne production and consumption that are isolated from atmospheric exchange. Acetylenotrophs may have developed to leverage the relatively high concentrations of acetylene in the pre-Cambrian atmosphere, evolving later to survive in specialized niches where acetylene and other alkynes were produced.

  17. Synthesis and characterization of silver/montmorillonite/chitosan bionanocomposites by chemical reduction method and their antibacterial activity.

    PubMed

    Shameli, Kamyar; Bin Ahmad, Mansor; Zargar, Mohsen; Yunus, Wan Md Zin Wan; Ibrahim, Nor Azowa; Shabanzadeh, Parvaneh; Moghaddam, Mansour Ghaffari

    2011-01-01

    Silver nanoparticles (AgNPs) of a small size were successfully synthesized using the wet chemical reduction method into the lamellar space layer of montmorillonite/chitosan (MMT/Cts) as an organomodified mineral solid support in the absence of any heat treatment. AgNO3, MMT, Cts, and NaBH4 were used as the silver precursor, the solid support, the natural polymeric stabilizer, and the chemical reduction agent, respectively. MMT was suspended in aqueous AgNO3/Cts solution. The interlamellar space limits were changed (d-spacing = 1.24-1.54 nm); therefore, AgNPs formed on the interlayer and external surface of MMT/Cts with d-average = 6.28-9.84 nm diameter. Characterizations were done using different methods, ie, ultraviolet-visible spectroscopy, powder X-ray diffraction, transmission electron microscopy, scanning electron microscopy, energy dispersive X-ray fluorescence spectrometry, and Fourier transform infrared spectroscopy. Silver/montmorillonite/chitosan bionanocomposite (Ag/MMT/Cts BNC) systems were examined. The antibacterial activity of AgNPs in MMT/Cts was investigated against Gram-positive bacteria, ie, Staphylococcus aureus and methicillin-resistant S. aureus and Gram-negative bacteria, ie, Escherichia coli, E. coli O157:H7, and Pseudomonas aeruginosa by the disc diffusion method using Mueller Hinton agar at different sizes of AgNPs. All of the synthesized Ag/MMT/Cts BNCs were found to have high antibacterial activity. These results show that Ag/MMT/Cts BNCs can be useful in different biological research and biomedical applications, including surgical devices and drug delivery vehicles.

  18. Projection-reduction method applied to deriving non-linear optical conductivity for an electron-impurity system

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

    Kang, Nam Lyong; Lee, Sang-Seok; Graduate School of Engineering, Tottori University, 4-101 Koyama-Minami, Tottori

    2013-07-15

    The projection-reduction method introduced by the present authors is known to give a validated theory for optical transitions in the systems of electrons interacting with phonons. In this work, using this method, we derive the linear and first order nonlinear optical conductivites for an electron-impurity system and examine whether the expressions faithfully satisfy the quantum mechanical philosophy, in the same way as for the electron-phonon systems. The result shows that the Fermi distribution function for electrons, energy denominators, and electron-impurity coupling factors are contained properly in organized manners along with absorption of photons for each electron transition process in themore » final expressions. Furthermore, the result is shown to be represented properly by schematic diagrams, as in the formulation of electron-phonon interaction. Therefore, in conclusion, we claim that this method can be applied in modeling optical transitions of electrons interacting with both impurities and phonons.« less

  19. Bath for electrolytic reduction of alumina and method therefor

    DOEpatents

    Brown, Craig W.; Brooks, Richard J.; Frizzle, Patrick B.; Juric, Drago D.

    2001-07-10

    An electrolytic bath for use during the electrolytic reduction of alumina to aluminum. The bath comprises a molten electrolyte having the following ingredients: (a) AlF.sub.3 and at least one salt selected from the group consisting of NaF, KF, and LiF; and (b) about 0.004 wt. % to about 0.2 wt. %, based on total weight of the molten electrolyte, of at least one transition metal or at least one compound of the metal or both. The compound may be, for example, a fluoride, oxide, or carbonate. The metal can be nickel, iron, copper, cobalt, or molybdenum. The bath can be employed in a combination that includes a vessel for containing the bath and at least one non-consumable anode and at least one dimensionally stable cathode in the bath. Employing the bath of the present invention during electrolytic reduction of alumina to aluminum can improve the wetting of aluminum on a cathode by reducing or eliminating the formation of non-metallic deposits on the cathode.

  20. Development and evaluation of thermal model reduction algorithms for spacecraft

    NASA Astrophysics Data System (ADS)

    Deiml, Michael; Suderland, Martin; Reiss, Philipp; Czupalla, Markus

    2015-05-01

    This paper is concerned with the topic of the reduction of thermal models of spacecraft. The work presented here has been conducted in cooperation with the company OHB AG, formerly Kayser-Threde GmbH, and the Institute of Astronautics at Technische Universität München with the goal to shorten and automatize the time-consuming and manual process of thermal model reduction. The reduction of thermal models can be divided into the simplification of the geometry model for calculation of external heat flows and radiative couplings and into the reduction of the underlying mathematical model. For simplification a method has been developed which approximates the reduced geometry model with the help of an optimization algorithm. Different linear and nonlinear model reduction techniques have been evaluated for their applicability in reduction of the mathematical model. Thereby the compatibility with the thermal analysis tool ESATAN-TMS is of major concern, which restricts the useful application of these methods. Additional model reduction methods have been developed, which account to these constraints. The Matrix Reduction method allows the approximation of the differential equation to reference values exactly expect for numerical errors. The summation method enables a useful, applicable reduction of thermal models that can be used in industry. In this work a framework for model reduction of thermal models has been created, which can be used together with a newly developed graphical user interface for the reduction of thermal models in industry.

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