WorldWideScience

Sample records for high aromatic clusters

  1. Transition-Metal Planar Boron Clusters: a New Class of Aromatic Compounds with High Coordination

    Science.gov (United States)

    Wang, Lai-Sheng

    2012-06-01

    Photoelectron spectroscopy in combination with computational studies over the past decade has shown that boron clusters possess planar or quasi-planar structures, in contrast to that of bulk boron, which is dominated by three-dimensional cage-like building blocks. All planar or quasi-planar boron clusters are observed to consist of a monocyclic circumference with one or more interior atoms. The propensity for planarity has been found to be due to both σ and π electron delocalization throughout the molecular plane, giving rise to concepts of σ and π double aromaticity. We have found further that the central boron atoms can be substituted by transition metal atoms to form a new class of aromatic compounds, which consist of a central metal atom and a monocyclic boron ring (M B_n). Eight-, nine-, and ten-membered rings of boron have been observed, giving rise to octa-, ennea-, and deca-coordinated aromatic transition metal compounds [1-3]. References: [1] ``Aromatic Metal-Centered Monocyclic Boron Rings: Co B_9^- and Ru B_9^-" (Constantin Romanescu, Timur R. Galeev, Wei-Li Li, A. I. Boldyrev, and L. S. Wang), Angew. Chem. Int. Ed. {50}, 9334-9337 (2011). [2] ``Transition-Metal-Centered Nine-Membered Boron Rings: M B_9 and M B_9^- (M = Rh, Ir)" (Wei-Li Li, Constantin Romanescu, Timur R. Galeev, Zachary Piazza, A. I. Boldyrev, and L. S. Wang), J. Am. Chem. Soc. {134}, 165-168 (2012). [3] ``Observation of the Highest Coordination Number in Planar Species: Decacoordinated Ta B10^- and Nb B_9^- Anions" (Timur R. Galeev, Constantin Romanescu, Wei-Li Li, L. S. Wang, and A. I. Boldyrev), Angew. Chem. Int. Ed. {51}, 2101-2105 (2012).

  2. Beyond organic chemistry: aromaticity in atomic clusters.

    Science.gov (United States)

    Boldyrev, Alexander I; Wang, Lai-Sheng

    2016-04-28

    We describe joint experimental and theoretical studies carried out collaboratively in the authors' labs for understanding the structures and chemical bonding of novel atomic clusters, which exhibit aromaticity. The concept of aromaticity was first discovered to be useful in understanding the square-planar unit of Al4 in a series of MAl4(-) bimetallic clusters that led to discoveries of aromaticity in many metal cluster systems, including transition metals and similar cluster motifs in solid compounds. The concept of aromaticity has been found to be particularly powerful in understanding the stability and bonding in planar boron clusters, many of which have been shown to be analogous to polycyclic aromatic hydrocarbons in their π bonding. Stimulated by the multiple aromaticity in planar boron clusters, a design principle has been proposed for stable metal-cerntered aromatic molecular wheels of the general formula, M@Bn(k-). A series of such borometallic aromatic wheel complexes have been produced in supersonic cluster beams and characterized experimentally and theoretically, including Ta@B10(-) and Nb@B10(-), which exhibit the highest coordination number in two dimensions.

  3. Hückel's Rule of Aromaticity Categorizes Aromatic Closo Boron Hydride Clusters

    OpenAIRE

    Poater i Teixidor, Jordi; Solà i Puig, Miquel; Viñas, Clara; Teixidor, Francesc

    2016-01-01

    A direct connection is established between tridimensional aromatic closo boron hydride clusters and planar aromatic [n]annulenes for medium and large size boron clusters. In particular, our results prove the existence of a link between the two-dimensional Hückel rule followed by aromatic [n]-annulenes and Wade-Mingos' rule of three-dimensional aromaticity applied to the aromatic [BnHn]2- closo boron hydride clusters. Our results show that closo boron hydride clusters can be categorized into d...

  4. Theoretical study of aromaticity in inorganic tetramer clusters

    Indian Academy of Sciences (India)

    Sandeep Nigam; Chiranjib Majumder; S K Kulshreshtha

    2006-11-01

    Ground state geometry and electronic structure of M$^{2-}_{4}$ cluster (M = B, Al, Ga) have been investigated to evaluate their aromatic properties. The calculations are performed by employing the Density Functional Theory (DFT) method. It is found that all these three clusters adopt square planar configuration. Results reveal that square planar M$^{2-}_{4}$ dianion exhibits characteristics of multifold aromaticity with two delocalised -electrons. In spite of the unstable nature of these dianionic clusters in the gas phase, their interaction with the sodium atoms forms very stable dipyramidal M4Na2 complexes while maintaining their square planar structure and aromaticity.

  5. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Ricca, Alessandra [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Bauschlicher, Charles W. Jr. [Entry Systems and Technology Division, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Allamandola, Louis J., E-mail: Alessandra.Ricca-1@nasa.gov, E-mail: Charles.W.Bauschlicher@nasa.gov [Space Science Division, Mail Stop 245-6, NASA Ames Research Center, Moffett Field, CA 94035 (United States)

    2013-10-10

    The mid-infrared spectra of neutral homogeneous polycyclic aromatic hydrocarbon (PAH) clusters have been computed using density functional theory including an empirical correction for dispersion. The C-H out-of-plane bending modes are redshifted for all the clusters considered in this work. The magnitude of the redshift and the peak broadening are dependent on PAH size, shape, and on the PAH arrangement in the cluster.

  6. Interaction of aromatic molecules with small gold clusters

    Science.gov (United States)

    Molina, Luis M.; López, María. J.; Alonso, Julio A.

    2017-09-01

    Ab initio density functional simulations have been performed to study the adsorption of aromatic molecules (benzene and toluene) on small Aun clusters. The calculations reveal a strong interaction between gold and π electrons of benzene, accompanied by a small electronic charge transfer from benzene to gold. We report a variety of binding conformations, with varying degrees of contact between the carbon atoms in benzene and the cluster. Therefore, the interaction between the aromatic part of molecules involved in the synthesis of fine chemicals catalyzed by gold must not be neglected, and could play an important role during some reaction stages.

  7. Ionization and fragmentation of polycyclic aromatic hydrocarbon clusters in collisions with keV ions

    Energy Technology Data Exchange (ETDEWEB)

    Johansson, H. A. B.; Zettergren, H.; Holm, A. I. S.; Seitz, F.; Schmidt, H. T.; Cederquist, H. [Department of Physics, Stockholm University, SE-106 91, Stockholm (Sweden); Rousseau, P.; Lawicki, A.; Capron, M.; Domaracka, A.; Lattouf, E.; Maclot, S.; Maisonny, R.; Chesnel, J.-Y.; Adoui, L.; Huber, B. A. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Universite de Caen Basse-Normandie, Boulevard Henri Becquerel, BP5133, F-14070 Caen Cedex 5 (France); Manil, B. [Laboratoire de Physique des Laser, CNRS, UMR 7538, Institut Galilee, Universite Paris 13, F-93430, Villetaneuse (France)

    2011-10-15

    We report on an experimental study of the ionization and fragmentation of clusters of k polycyclic aromatic hydrocarbon (PAH) molecules using anthracene, C{sub 14}H{sub 10}, or coronene, C{sub 24}H{sub 12}. These PAH clusters are moderately charged and strongly heated in small impact parameter collisions with 22.5-keV He{sup 2+} ions, after which they mostly decay in long monomer evaporation sequences with singly charged and comparatively cold monomers as dominating end products. We describe a simple cluster evaporation model and estimate the number of PAH molecules in the clusters that have to be hit by He{sup 2+} projectiles for such complete cluster evaporations to occur. Highly charged and initially cold clusters are efficiently formed in collisions with 360-keV Xe{sup 20+} ions, leading to cluster Coulomb explosions and several hot charged fragments, which again predominantly yield singly charged, but much hotter, monomer ions than the He{sup 2+} collisions. We present a simple formula, based on density-functional-theory calculations, for the ionization energy sequences as functions of coronene cluster size, rationalized in terms of the classic electrostatic expression for the ionization of a charged conducting object. Our analysis indicates that multiple electron removal by highly charged ions from a cluster of PAH molecules rapidly may become more important than single ionization as the cluster size k increases and that this is the main reason for the unexpectedly strong heating in these types of collisions.

  8. Selective synthesis of Rh5 carbonyl clusters within a polyamine dendrimer for chemoselective reduction of nitro aromatics.

    Science.gov (United States)

    Maeno, Zen; Mitsudome, Takato; Mizugaki, Tomoo; Jitsukawa, Koichiro; Kaneda, Kiyotomi

    2014-06-21

    The selective synthesis of the [Rh5(CO)15](-) cluster within the PPI dendrimer was successfully demonstrated. The dendrimer-encapsulated [Rh5(CO)15](-) was resistant to decomposition under the catalytic reaction conditions and exhibited extremely high selectivity for the chemoselective reduction of nitro groups of various nitro aromatics with other reducible groups using CO/H2O as a reductant.

  9. Clustering high dimensional data

    DEFF Research Database (Denmark)

    Assent, Ira

    2012-01-01

    High-dimensional data, i.e., data described by a large number of attributes, pose specific challenges to clustering. The so-called ‘curse of dimensionality’, coined originally to describe the general increase in complexity of various computational problems as dimensionality increases, is known...... to render traditional clustering algorithms ineffective. The curse of dimensionality, among other effects, means that with increasing number of dimensions, a loss of meaningful differentiation between similar and dissimilar objects is observed. As high-dimensional objects appear almost alike, new approaches...

  10. Inhalation toxicity of high flash aromatic naphtha.

    Science.gov (United States)

    Clark, D G; Butterworth, S T; Martin, J G; Roderick, H R; Bird, M G

    1989-05-01

    A petroleum distillate--a high aromatic naphtha--consisting of a 50/50 blended mixture of equivalent products. SHELLSOL A* and SOLVESSO 100**, containing C9 isomers (75 percent) particularly trimethyl benzenes, was examined for systemic toxicity in rats by inhalation exposure. A preliminary 13-week inhalation study with SHELLSOL A had resulted in liver and kidney weight increases in female rats at the high (7400 mg/m3) and medium (3700 mg/m3) exposure levels, and a low grade anaemia in females at all exposure levels (7400, 3700 and 1800 mg/m3). The follow-up 12-month inhalation study in rats described here used atmosphere generated from the SHELLSOL A/SOLVESSO 100 blend of 1800, 900 and 450 mg/m3. Initial reduction in body weight gain occurred in both male and female rats at the higher exposures. Various statistically significant haematological changes were transiently seen in males up to six months, but were not considered biologically significant. High exposure male liver and kidney weights were increased at 6 and 12 months but, in the absence of histopathological changes, were considered to be physiological adaptive responses. No treatment-related histopathological abnormalities were found. It is concluded that chronic exposure to this high aromatic naphtha is without systemic toxicity in rats under the conditions of these studies.

  11. Photoelectron spectroscopy of cluster anions of naphthalene and related aromatic hydrocarbons

    Science.gov (United States)

    Ando, Naoto; Mitsui, Masaaki; Nakajima, Atsushi

    2008-04-01

    The electronic structures and structural morphologies of naphthalene cluster anions, (naphthalene)n- (n=3-150), and its related aromatic cluster anions, (acenaphthene)n- (n=4-100) and (azulene)n- (n=1-100), are studied using anion photoelectron spectroscopy. For (naphthalene)n- clusters, two isomers coexist over a wide size range: isomers I and II-1 (28⩽n⩽60) or isomers I and II-2 (n⩾˜60). Their contributions to the photoelectron spectra can be separated using an anion beam hole-burning technique. In contrast, such an isomer coexistence is not observed for (acenaphthene)n- and (azulene)n- clusters, where isomer I is exclusively formed throughout the whole size range. The vertical detachment energies (VDEs) of isomer I (7⩽n⩽100) in all the anionic clusters depend linearly on n-1/3 and their size-dependent energetics are quite similar to one another. On the other hand, the VDEs of isomers II-1 and II-2 produced in (naphthalene)n- clusters with n ⩾˜30 remain constant at 0.84 and 0.99eV, respectively, 0.4-0.6eV lower than those of isomer I. Based upon the ion source condition dependence and the hole-burning photoelectron spectra experiments for each isomer, the energetics and characteristics of isomers I, II-1, and II-2 are discussed: isomer I is an internalized anion state accompanied by a large change in its cluster geometry after electron attachment, while isomers II-1 and II-2 are crystal-like states with little structural relaxation. The nonappearance of isomers II-1 and II-2 for (acenaphthene)n- and (azulene)n- and a comparison with other aromatic cluster anions indicate that a highly anisotropic and symmetric π-conjugated molecular framework, such as found in the linear oligoacenes, is an essential factor for the formation of the crystal-like ordered forms (isomers II-1 and II-2). On the other hand, lowering the molecular symmetry makes their production unfavorable.

  12. Chemical bonding and aromaticity in trinuclear transition-metal halide clusters.

    Science.gov (United States)

    Weck, Philippe F; Sergeeva, Alina P; Kim, Eunja; Boldyrev, Alexander I; Czerwinski, Kenneth R

    2011-02-07

    Trinuclear transition-metal complexes such as Re(3)X(9) (X = Cl, Br, I), with their uniquely featured structure among metal halides, have posed intriguing questions related to multicenter electron delocalization for several decades. Here we report a comprehensive study of the technetium halide clusters [Tc(3)(μ-X)(3)X(6)](0/1-/2-) (X = F, Cl, Br, I), isomorphous with their rhenium congeners, predicted from density functional theory calculations. The chemical bonding and aromaticity in these clusters are analyzed using the recently developed adaptive natural density partitioning method, which indicates that only [Tc(3)X(9)](2-) clusters exhibit aromatic character, stemming from a d-orbital-based π bond delocalized over the three metal centers. We also show that standard methods founded on the nucleus-independent chemical shift concept incorrectly predict the neutral Tc(3)X(9) clusters to be aromatic.

  13. The key to the extraordinary thermal stability of P. furiosus holo-rubredoxin: iron binding-guided packing of a core aromatic cluster responsible for high kinetic stability of the native structure.

    Science.gov (United States)

    Prakash, Satya; Sundd, Monica; Guptasarma, Purnananda

    2014-01-01

    Pyrococcus furiosus rubredoxin (PfRd), a small, monomeric, 53 residues-long, iron-containing, electron-transfer protein of known structure is sometimes referred to as being the most structurally-stable protein known to man. Here, using a combination of mutational and spectroscopic (CD, fluorescence, and NMR) studies of differently made holo- and apo-forms of PfRd, we demonstrate that it is not the presence of iron, or even the folding of the PfRd chain into a compact well-folded structure that causes holo-PfRd to display its extraordinary thermal stability, but rather the correct iron binding-guided packing of certain residues (specifically, Trp3, Phe29, Trp36, and also Tyr10) within a tight aromatic cluster of six residues in PfRd's hydrophobic core. Binding of the iron atom appears to play a remarkable role in determining subtle details of residue packing, forcing the chain to form a hyper-thermally stable native structure which is kinetically stable enough to survive (subsequent) removal of iron. On the other hand, failure to bind iron causes the same chain to adopt an equally well-folded native-like structure which, however, has a differently-packed aromatic cluster in its core, causing it to be only as stable as any other ordinary mesophile-derived rubredoxin. Our studies demonstrate, perhaps for the very first time ever that hyperthermal stability in proteins can owe to subtle differences in residue packing vis a vis mesostable proteins, without there being any underlying differences in either amino acid sequence, or bound ligand status.

  14. Bonding, aromaticity and reactivity patterns in some all-metal and non-metal clusters

    Indian Academy of Sciences (India)

    S Duley; S Giri; A Chakraborty; P K Chattaraj

    2009-09-01

    Several sandwich-like metal clusters have been studied at the B3LYP/6-311 + G∗ level of theory. Bonding and reactivity have been analysed through various geometrical parameters and conceptual density functional theory based global reactivity descriptors. Aromaticity patterns have been understood in terms of the associated nucleus independent chemical shift values. Possibility of bond-stretch isomerism in some doped clusters is explored. Preferable sites for electrophilic and nucleophilic attacks have been identified using different local reactivity descriptors.

  15. Aromatic character of planar boron-based clusters revisited by ring current calculations

    NARCIS (Netherlands)

    Hung Tan Pham, [Unknown; Lim, Kie Zen; Havenith, Remco W. A.; Minh Tho Nguyen, [No Value

    2016-01-01

    The planarity of small boron-based clusters is the result of an interplay between geometry, electron delocalization, covalent bonding and stability. These compounds contain two different bonding patterns involving both sigma and pi delocalized bonds, and up to now, their aromaticity has been assigne

  16. Highly Energetic, Low Sensitivity Aromatic Peroxy Acids.

    Science.gov (United States)

    Gamage, Nipuni-Dhanesha H; Stiasny, Benedikt; Stierstorfer, Jörg; Martin, Philip D; Klapötke, Thomas M; Winter, Charles H

    2016-02-18

    The synthesis, structure, and energetic materials properties of a series of aromatic peroxy acid compounds are described. Benzene-1,3,5-tris(carboperoxoic) acid is a highly sensitive primary energetic material, with impact and friction sensitivities similar to those of triacetone triperoxide. By contrast, benzene-1,4-bis(carboperoxoic) acid, 4-nitrobenzoperoxoic acid, and 3,5-dinitrobenzoperoxoic acid are much less sensitive, with impact and friction sensitivities close to those of the secondary energetic material 2,4,6-trinitrotoluene. Additionally, the calculated detonation velocities of 3,5-dinitrobenzoperoxoic acid and 2,4,6-trinitrobenzoperoxoic acid exceed that of 2,4,6-trinitrotoluene. The solid-state structure of 3,5-dinitrobenzoperoxoic acid contains intermolecular O-H⋅⋅⋅O hydrogen bonds and numerous N⋅⋅⋅O, C⋅⋅⋅O, and O⋅⋅⋅O close contacts. These attractive lattice interactions may account for the less sensitive nature of 3,5-dinitrobenzoperoxoic acid.

  17. Searches for High Redshift Clusters

    CERN Document Server

    Dickinson, M

    1996-01-01

    High redshift galaxy clusters have traditionally been a fruitful place to study galaxy evolution. I review various search strategies for finding clusters at z > 1. Most efforts to date have concentrated on the environments of distant AGN. I illustrate these with data on the cluster around 3C 324 (z=1.2) and other, more distant systems, and discuss possibilities for future surveys with large telescopes.

  18. Synthesis and Structure of 1D Na6 Cluster Chain with Short Na-Na Distance: Organic like Aromaticity in Inorganic Metal Cluster

    CERN Document Server

    Khatua, S; Chattaraj, P K; Roy, D R; Bhattacharjee*, Manish; Chattaraj*, Pratim K.; Khatua, Snehadrinarayan; Roy, Debesh R.

    2006-01-01

    A unique 1D chain of sodium cluster containing (Na6) rings stabilized by a molybdenum containing metalloligand has been synthesized and characterized. DFT calculations show striking resemblance in their aromatic behaviour with the corresponding hydrocarbon analogues

  19. The mutagenic potential of high flash aromatic naphtha.

    Science.gov (United States)

    Schreiner, C A; Edwards, D A; McKee, R H; Swanson, M; Wong, Z A; Schmitt, S; Beatty, P

    1989-06-01

    Catalytic reforming is a refining process that converts naphthenes to aromatics by dehydrogenation to make higher octane gasoline blending components. A portion of this wide boiling range hydrocarbon stream can be separated by distillation and used for other purposes. One such application is a mixture of predominantly 9-carbon aromatic molecules (C9 aromatics, primarily isomers of ethyltoluene and trimethylbenzene), which is removed and used as a solvent--high-flash aromatic naphtha. A program was initiated to assess the toxicological properties of high-flash aromatic naphtha since there may be human exposure through inhalation or external body contact. The current study was conducted partly to assess the potential for mutagenic activity and also to assist in an assessment of carcinogenic potential. The specific tests utilized included the Salmonella/mammalian microsome mutagenicity assay, the hypoxanthine-guanine phosphoribosyl transferase (HGPRT) forward mutation assay in CHO cells, in vitro chromosome aberration and sister chromatid exchange (SCE) assays in CHO cells, and an in vivo chromosome aberration assay in rat bone marrow.

  20. The reproductive and developmental toxicity of High Flash Aromatic Naphtha.

    Science.gov (United States)

    McKee, R H; Wong, Z A; Schmitt, S; Beatty, P; Swanson, M; Schreiner, C A; Schardein, J L

    1990-01-01

    Catalytic reforming is a refining process that converts naphthenes to aromatics by dehydrogenation to make higher octane gasoline blending components. A portion of this wide boiling range hydrocarbon stream can be separated by distillation and used for other purposes. One such application is a mixture of predominantly 9-carbon aromatic molecules (C9 aromatics, primarily isomers of ethyltoluene and trimethylbenzene), which is removed and used as a solvent--High Flash Aromatic Naphtha. A program was initiated to assess the toxicological properties of High Flash Aromatic Naphtha since there may be human exposure through inhalation or external body contact. The current study was conducted to assess the potential for developmental toxicity in the mouse and for reproductive toxicity in the rat. In the developmental toxicity study in CD-1 mice, exposure of dams by inhalation to near lethal levels (1500 ppm) resulted in fetal mortality, reduced weight, delayed ossification, and an increased incidence of cleft palate. At 500 ppm, a level at which maternal weight gain was slightly reduced, fetal weight gain was also reduced, but there was no other evidence of developmental effects. The lowest exposure level (100 ppm) did not cause any maternal or developmental toxicity. There was no consistent evidence of reproductive toxicity in rats, even at exposure levels which resulted in significantly reduced parental weight gain. In addition, when parental exposure was stopped on GD (gestation day) 20, birth weights as well as postnatal survival were generally similar to control values, even in the 1500 ppm exposure group. Postnatal weight gain was also similar to controls early in weaning, but, if maternal exposure was reinitiated, weight gain was reduced in the high exposure group. However, when exposure was continued until delivery, pups in the high exposure group exhibited reduced litter size, birth weight and poor survival. Thus it was likely that the reduction in fetal weight

  1. Aromatic claw: A new fold with high aromatic content that evades structural prediction.

    Science.gov (United States)

    Sachleben, Joseph R; Adhikari, Aashish N; Gawlak, Grzegorz; Hoey, Robert J; Liu, Gaohua; Joachimiak, Andrzej; Montelione, Gaetano T; Sosnick, Tobin R; Koide, Shohei

    2017-02-01

    We determined the NMR structure of a highly aromatic (13%) protein of unknown function, Aq1974 from Aquifex aeolicus (PDB ID: 5SYQ). The unusual sequence of this protein has a tryptophan content five times the normal (six tryptophan residues of 114 or 5.2% while the average tryptophan content is 1.0%) with the tryptophans occurring in a WXW motif. It has no detectable sequence homology with known protein structures. Although its NMR spectrum suggested that the protein was rich in β-sheet, upon resonance assignment and solution structure determination, the protein was found to be primarily α-helical with a small two-stranded β-sheet with a novel fold that we have termed an Aromatic Claw. As this fold was previously unknown and the sequence unique, we submitted the sequence to CASP10 as a target for blind structural prediction. At the end of the competition, the sequence was classified a hard template based model; the structural relationship between the template and the experimental structure was small and the predictions all failed to predict the structure. CSRosetta was found to predict the secondary structure and its packing; however, it was found that there was little correlation between CSRosetta score and the RMSD between the CSRosetta structure and the NMR determined one. This work demonstrates that even in relatively small proteins, we do not yet have the capacity to accurately predict the fold for all primary sequences. The experimental discovery of new folds helps guide the improvement of structural prediction methods.

  2. The essential role for aromatic cluster in the β3 adrenergic receptor

    Institute of Scientific and Technical Information of China (English)

    Hai-yan CAI; Zhi-jian XU; Jie TANG; Ying SUN; Kai-xian CHEN; He-yao WANG; Wei-liang ZHU

    2012-01-01

    Aim:To explore the function of the conserved aromatic cluster F2135.47,F3086.51,and F3096.52 in human β3 adrenergic receptor (hβ3AR).Methods:Point mutation technology was used to produce plasmid mutations of hβ3AR.HEK-293 cells were transiently co-transfected with the hβ3AR (wild-type or mutant) plasmids and luciferase reporter vector pCRE-luc.The expression levels of hβ3AR in the cells were determined by Western blot analysis.The constitutive signalling and the signalling induced by the β3AR selective agonist,BRL (BRL37344),were then evaluated.To further explore the interaction mechanism between BRL and β3AR,a three-dimensional complex model of β3AR and BRL was constructed by homology modelling and molecular docking.Results:For F3086.51,Ala and Leu substitution significantly decreased the constitutive activities of β3AR to approximately 10% of that for the wild-type receptor.However,both the potency and maximal efficacy were unchanged by Ala substitution.In the F3086.51L construct,the EC50 value manifested as a "right shift" of approximately two orders of magnitude with an increased Emax.Impressively,the molecular pharmacological phenotype was similar to the wild-type receptor for the introduction of Tyr at position 3086.51,though the EC50 value increased by approximately five-fold for the mutant.For F3096.52,the constitutive signalling for both F3096.52A and F3096.52L constructs were strongly impaired.In the F3096.52A construct,BRL-stimulated signalling showed a normal Emax but reduced potency.Leu substitution of F3096.52 reduced both the Emax and potency.When F3096.52 was mutated to Tyr,the constitutive activity was decreased approximately three-fold,and BRL-stimulated signalling was significantly impaired.Furthermore,the double mutant (F3086.51A_F3096 52A) caused the total loss of β3AR function.The predicted binding mode between β3AR and BRL revealed that both F3086.51 and F3096.52 were in the BRL binding pocket of β3AR,while F2135.47 and W3056

  3. Water clusters adsorbed on polycyclic aromatic hydrocarbons: Energetics and conformational dynamics

    Science.gov (United States)

    Simon, Aude; Spiegelman, Fernand

    2013-05-01

    In this work, we present some classical molecular dynamics (MD) simulations and finite temperature infrared (IR) spectra of water clusters adsorbed on coronene (C24H12), a compact polycyclic aromatic hydrocarbon (PAH). The potential energy surface is obtained within the self-consistent-charge density-functional based tight-binding approach with modifications insuring the correct description of water-water and water-PAH interactions. This scheme is benchmarked for the minimal energy structures of (C24H12)(H2O)n (n = 3-10) against density-functional theory (DFT) calculations and for the low-energy isomers of (H2O)6 and (C6H6)(H2O)3 against correlated wavefunction and DFT calculations. A detailed study of the low energy isomers of (C24H12)(H2O)3, 6 complexes is then provided. On-the-fly Born-Oppenheimer MD simulations are performed in the temperature T range 10-350 K for (C24H12)(H2O)n (n = 3-7) complexes. The description of the evolution of the systems with T is provided with emphasis on (C24H12)(H2O)n (n = 3,6). For T in the range 50-150 K, isomerisation processes are observed and when T increases, a solid-to-liquid phase-change like behavior is shown. The desorption of one water molecule is frequently observed at 300 K. The isomerisation processes are evidenced on the finite temperature IR spectra and the results are presented for (C24H12)(H2O)n (n = 3,6). A signature for the edge-coordination of the water cluster on the PAH is also proposed.

  4. High Dimensional Data Clustering Using Fast Cluster Based Feature Selection

    Directory of Open Access Journals (Sweden)

    Karthikeyan.P

    2014-03-01

    Full Text Available Feature selection involves identifying a subset of the most useful features that produces compatible results as the original entire set of features. A feature selection algorithm may be evaluated from both the efficiency and effectiveness points of view. While the efficiency concerns the time required to find a subset of features, the effectiveness is related to the quality of the subset of features. Based on these criteria, a fast clustering-based feature selection algorithm (FAST is proposed and experimentally evaluated in this paper. The FAST algorithm works in two steps. In the first step, features are divided into clusters by using graph-theoretic clustering methods. In the second step, the most representative feature that is strongly related to target classes is selected from each cluster to form a subset of features. Features in different clusters are relatively independent; the clustering-based strategy of FAST has a high probability of producing a subset of useful and independent features. To ensure the efficiency of FAST, we adopt the efficient minimum-spanning tree (MST using the Kruskal‟s Algorithm clustering method. The efficiency and effectiveness of the FAST algorithm are evaluated through an empirical study. Index Terms—

  5. Polycyclic aromatic hydrocarbons in lake sediments from the High Tatras

    Energy Technology Data Exchange (ETDEWEB)

    Drooge, Barend L. van, E-mail: barend.vandrooge@idaea.csic.es [Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18, 08034 Barcelona, Catalonia (Spain); Lopez, Jordi; Fernandez, Pilar; Grimalt, Joan O. [Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Jordi Girona 18, 08034 Barcelona, Catalonia (Spain); Stuchlik, Evzen [Department of Hydrology, Charles University, Vinicna 7, 12044 Prague (Czech Republic)

    2011-05-15

    European alpine lake systems are used as indicators of air quality over the continent. Preliminary data showed high polycyclic aromatic hydrocarbons (PAH) loads in the High Tatras (Eastern Europe) in comparison to other mountain regions. Here, insight on the spatial distribution of PAH is provided from analysis of top-core sediments of 27 alpine lakes distributed along the High Tatras. Top-core sediment concentrations were higher than those in deep-cores, and they were higher than those observed in other European high mountain regions. The PAH profiles were uniform and comparable to those observed in aerosols and snow, indicating that atmospheric deposition was the predominant PAH input pathway to the lakes. Good agreement between estimated atmospheric deposition and sedimentation fluxes was observed. However, in several lakes in the western range higher sediment fluxes may correspond to higher PAH depositions levels. The higher concentrations may also reflect inputs from potential emission source areas. - Highlights: > Sedimentary PAH loads in alpine lakes from High Tatras (Eastern Europe) were higher than in other European mountain regions. > Sediments PAH profiles comparable to aerosol and snow deposition profiles. > Positive correlation between PAH atmospheric deposition and sedimentary fluxes. - High sedimentary PAH loads were observed in alpine lakes in the High Tatras (Eastern Europe) which are related to high PAH atmospheric deposition fluxes.

  6. Removal of high-molecular weight polycyclic aromatic hydrocarbons

    Directory of Open Access Journals (Sweden)

    Ulrich Vasconcelos

    2011-01-01

    Full Text Available Alternatives for the removal of high-molecular weight polycyclic aromatic hydrocarbons (HWM-PAH from soil were tested by adding fertilizer or glycerol, as well as the combination of both. Experiments were carried out for 60 days in reactors containing a HWM-PAH-contaminated soil (8030 μg kg-1, accompanied by pH monitoring, humidity control and quantification of total heterotrophic bacteria and total fungus. Fertilizer addition removed 41.6% of HWM-PAH. Fertilizer and glycerol in combination removed 46.2%. When glycerol was added individually, degradation reached 50.4%. Glycerol also promoted the increase of degradation rate during the first 30 days suggesting the HMW-PAH removal occurred through cometabolic pathways.

  7. High atmosphere–ocean exchange of semivolatile aromatic hydrocarbons

    KAUST Repository

    González-Gaya, Belén

    2016-05-16

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 10 2 -10 3 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr -1, around 15% of the oceanic CO2 uptake. © 2016 Macmillan Publishers Limited.

  8. High atmosphere-ocean exchange of semivolatile aromatic hydrocarbons

    Science.gov (United States)

    González-Gaya, Belén; Fernández-Pinos, María-Carmen; Morales, Laura; Méjanelle, Laurence; Abad, Esteban; Piña, Benjamin; Duarte, Carlos M.; Jiménez, Begoña; Dachs, Jordi

    2016-06-01

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 102-103 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr-1, around 15% of the oceanic CO2 uptake.

  9. Structures and aromaticity of the planar Al2P2n- (n=1―4) clusters

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Clusters Al2P2n-(n = 1―4) were theoretically investigated using density functional theory (DFT) methods at the B3LYP/6-311+G* and B3PW91/6-311+G* levels of theory. The calculated results showed that the planar structure (D2h symmetry) of Al2P2n-(n = 1―4) species was the global minimum. And the negative nucleus-independent chemical shift (NICS) value of Al2P2n-(n = 1―4) species indicated the existence of a ring current in the planar structure (D2h symmetry). A detailed molecular orbital (MO) analysis revealed that the planar structures (D2h symmetry) had π aromaticity,which further exhibited the strongly aromatic character for Al2P2n-(n = 1―4) species.

  10. High Speed Liquid Chromatographic Determination of Total Aromatics in Enamel and Lacquer Solvents.

    Science.gov (United States)

    Esposito, G. G.

    Aromatic solvents possess the strongest solvency of the hydrogen types, but various air pollution control districts have established maximum limits on the amount that may be present in organic coatings. In the proposed procedure, high efficiency liquid chromatography is used to determine total aromatics in enamels and lacquer thinners, their…

  11. High Speed Liquid Chromatographic Determination of Total Aromatics in Enamel and Lacquer Solvents.

    Science.gov (United States)

    Esposito, G. G.

    Aromatic solvents possess the strongest solvency of the hydrogen types, but various air pollution control districts have established maximum limits on the amount that may be present in organic coatings. In the proposed procedure, high efficiency liquid chromatography is used to determine total aromatics in enamels and lacquer thinners, their…

  12. SYNTHESIS AND CHARACTERIZATION OF HIGHLY SOLUBLE AROMATIC POLYIMIDES

    Institute of Scientific and Technical Information of China (English)

    Xiao-hua Huang; Wei Huang; Yong-feng Zhou; De-yue Yan

    2011-01-01

    Two highly soluble aromatic polyimides were synthesized successfully from a diamine with two tert-butyl groups (MBTBA) and dianhydrides with a thioether or sulfone moiety (DTDA and DSDA). Both of them showed excellent solubility in common solvents such as chloroform, tetrahydrofuran and dioxane at the room temperature. The numberaverage molecular weight was 6.0 × 104 and 8.3 × 104 according to gel permeation chromatography relative to a polystyrene standard, and the polydispersity index was 1.80 and 1.82 respectively. The glass-transition temperatures of them were 286℃and 314℃ (or 315℃ and 358℃) respectively, as measured by differential scanning calorimetry (or dynamic mechanical analysis). The 5% weight loss temperature of both was near 490℃ in N2 by thermogravimetric analysis. These results indicated that the tert-butyl pendent groups reduced the interactions among polymer chains and the thioether or sulfone moiety was flexible which may improve their solubility in conventional organic solvents without the loss of thermal stability.Transparent and flexible films of the two polyimides were obtained via solution casting. The MBTBA-DTDA membrane had higher storage moduli than those of the MBTBA-DSDA membrane.

  13. Functional characterization of diverse ring-hydroxylating oxygenases and induction of complex aromatic catabolic gene clusters in Sphingobium sp. PNB

    Directory of Open Access Journals (Sweden)

    Pratick Khara

    2014-01-01

    Full Text Available Sphingobium sp. PNB, like other sphingomonads, has multiple ring-hydroxylating oxygenase (RHO genes. Three different fosmid clones have been sequenced to identify the putative genes responsible for the degradation of various aromatics in this bacterial strain. Comparison of the map of the catabolic genes with that of different sphingomonads revealed a similar arrangement of gene clusters that harbors seven sets of RHO terminal components and a sole set of electron transport (ET proteins. The presence of distinctly conserved amino acid residues in ferredoxin and in silico molecular docking analyses of ferredoxin with the well characterized terminal oxygenase components indicated the structural uniqueness of the ET component in sphingomonads. The predicted substrate specificities, derived from the phylogenetic relationship of each of the RHOs, were examined based on transformation of putative substrates and their structural homologs by the recombinant strains expressing each of the oxygenases and the sole set of available ET proteins. The RHO AhdA1bA2b was functionally characterized for the first time and was found to be capable of transforming ethylbenzene, propylbenzene, cumene, p-cymene and biphenyl, in addition to a number of polycyclic aromatic hydrocarbons. Overexpression of aromatic catabolic genes in strain PNB, revealed by real-time PCR analyses, is a way forward to understand the complex regulation of degradative genes in sphingomonads.

  14. Clustering high dimensional data using RIA

    Energy Technology Data Exchange (ETDEWEB)

    Aziz, Nazrina [School of Quantitative Sciences, College of Arts and Sciences, Universiti Utara Malaysia, 06010 Sintok, Kedah (Malaysia)

    2015-05-15

    Clustering may simply represent a convenient method for organizing a large data set so that it can easily be understood and information can efficiently be retrieved. However, identifying cluster in high dimensionality data sets is a difficult task because of the curse of dimensionality. Another challenge in clustering is some traditional functions cannot capture the pattern dissimilarity among objects. In this article, we used an alternative dissimilarity measurement called Robust Influence Angle (RIA) in the partitioning method. RIA is developed using eigenstructure of the covariance matrix and robust principal component score. We notice that, it can obtain cluster easily and hence avoid the curse of dimensionality. It is also manage to cluster large data sets with mixed numeric and categorical value.

  15. A catalogue of high redshift clusters

    Directory of Open Access Journals (Sweden)

    R. Juncosa

    2007-01-01

    Full Text Available Distant clusters of galaxies provide a powerful method to study the formation and evolution of galaxies and large scale structure of the Universe. However, the number of known clusters at high redshift (z > 0.5 is still limited. As a preparatory work for detailed studies with GTC, we are building a cata- logue of such objects analyzing public deep wide optical and near-IR surveys. In a region of ~9 square degrees, ~100 new clusters (~ 60 of them at z > 0.5 have been detected.

  16. Microhydrated aromatic cluster cations: Binding motifs of 4-aminobenzonitrile-(H2O)n cluster cations with n ≤ 4

    Science.gov (United States)

    Schmies, Matthias; Miyazaki, Mitsuhiko; Fujii, Masaaki; Dopfer, Otto

    2014-12-01

    Infrared photodissociation (IRPD) spectra of mass-selected 4-aminobenzonitrile-(water)n cluster cations, ABN+-(H2O)n with n ≤ 4, recorded in the N-H and O-H stretch ranges are analyzed by quantum chemical calculations at the M06-2X/aug-cc-pVTZ level to determine the evolution of the initial microhydration process of this bifunctional aromatic cation in its ground electronic state. IRPD spectra of cold clusters tagged with Ar and N2 display higher resolution and allow for a clear-cut structural assignment. The clusters are generated in an electron impact source, which generates predominantly the most stable isomers. The IRPD spectra are assigned to single isomers for n = 1-3. The preferred cluster growth begins with sequential hydration of the two acidic NH protons of the amino group (n = 1-2), which is followed by attachment of secondary H2O ligands hydrogen-bonded to the first-shell ligands (n = 3-4). These symmetric and branched structures are more stable than those with a cyclic H-bonded solvent network. Moreover, in the size range n ≤ 4 the formation of a solvent network stabilized by strong cooperative effects is favored over interior ion hydration which is destabilized by noncooperative effects. The potential of the ABN+-H2O dimer is characterized in detail and supports the cluster growth derived from the IRPD spectra. Although the N-H bonds are destabilized by stepwise microhydration, which is accompanied by increasing charge transfer from ABN+ to the solvent cluster, no proton transfer to the solvent is observed for n ≤ 4.

  17. Microhydrated aromatic cluster cations: Binding motifs of 4-aminobenzonitrile-(H{sub 2}O){sub n} cluster cations with n ≤ 4

    Energy Technology Data Exchange (ETDEWEB)

    Schmies, Matthias; Dopfer, Otto, E-mail: dopfer@physik.tu-berlin.de [Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Miyazaki, Mitsuhiko; Fujii, Masaaki [Chemical Resources Laboratory, Tokyo Institute of Technology, Yokohama 226-8503 (Japan)

    2014-12-07

    Infrared photodissociation (IRPD) spectra of mass-selected 4-aminobenzonitrile-(water){sub n} cluster cations, ABN{sup +}-(H{sub 2}O){sub n} with n ≤ 4, recorded in the N–H and O–H stretch ranges are analyzed by quantum chemical calculations at the M06-2X/aug-cc-pVTZ level to determine the evolution of the initial microhydration process of this bifunctional aromatic cation in its ground electronic state. IRPD spectra of cold clusters tagged with Ar and N{sub 2} display higher resolution and allow for a clear-cut structural assignment. The clusters are generated in an electron impact source, which generates predominantly the most stable isomers. The IRPD spectra are assigned to single isomers for n = 1–3. The preferred cluster growth begins with sequential hydration of the two acidic NH protons of the amino group (n = 1–2), which is followed by attachment of secondary H{sub 2}O ligands hydrogen-bonded to the first-shell ligands (n = 3–4). These symmetric and branched structures are more stable than those with a cyclic H-bonded solvent network. Moreover, in the size range n ≤ 4 the formation of a solvent network stabilized by strong cooperative effects is favored over interior ion hydration which is destabilized by noncooperative effects. The potential of the ABN{sup +}-H{sub 2}O dimer is characterized in detail and supports the cluster growth derived from the IRPD spectra. Although the N–H bonds are destabilized by stepwise microhydration, which is accompanied by increasing charge transfer from ABN{sup +} to the solvent cluster, no proton transfer to the solvent is observed for n ≤ 4.

  18. High Temperature Chemistry of Aromatic Hydrocarbons. Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Scott, Lawrence T. [Boston College, Chestnut Hill, MA (United States). Merkert Chemistry Center, Dept. of Chemistry

    2017-05-15

    The primary goal of this research was to uncover the principal reaction channels available to polycyclic aromatic hydrocarbons (PAHs) at high temperatures in the gas phase and to establish the factors that determine which channels will be followed in varying circumstances. New structure-property relationships for PAHs were also studied. The efficient production of clean energy from fossil fuels will remain a major component of the DOE mission until alternative sources of energy eventually displace coal and petroleum. Hydrocarbons constitute the most basic class of compounds in all of organic chemistry, and as the dominant species in fossil fuels, they figure prominently into the programs of the DOE. Much is already known about the normal chemistry of hydrocarbons under ambient conditions, but far less is known about their intrinsic chemistry at temperatures close to those reached during combustion. An understanding of the fundamental molecular transformations, rearrangements, and interconversions of PAHs at high temperatures in the gas phase, as revealed by careful studies on small, well-designed, molecular systems, provides insights into the underlying chemistry of many important processes that are more complex, such as the generation of energy by the combustion of fossil fuels, the uncatalyzed gasification and liquefaction of coal, the production of fullerenes in fuel-rich flames, and the formation of soot and carcinogenic pollutants in smoke (e.g., benzo[a]pyrene). The rational control of any of these processes, whether it be the optimization of a desirable process or the minimization of an undesirable one, requires a clear knowledge of the basic chemistry that governs the fate of the species involved. Advances in chemistry at the most fundamental level come about primarily from the discovery of new reactions and from new insights into how reactions occur. Harnessing that knowledge is the key to new technologies. The recent commercialization of a combustion

  19. Rapid estimation of concentration of aromatic classes in middistillate fuels by high-performance liquid chromatography

    Science.gov (United States)

    Otterson, D. A.; Seng, G. T.

    1985-01-01

    An high performance liquid chromatography (HPLC) method to estimate four aromatic classes in middistillate fuels is presented. Average refractive indices are used in a correlation to obtain the concentrations of each of the aromatic classes from HPLC data. The aromatic class concentrations can be obtained in about 15 min when the concentration of the aromatic group is known. Seven fuels with a wide range of compositions were used to test the method. Relative errors in the concentration of the two major aromatic classes were not over 10 percent. Absolute errors of the minor classes were all less than 0.3 percent. The data show that errors in group-type analyses using sulfuric acid derived standards are greater for fuels containing high concentrations of polycyclic aromatics. Corrections are based on the change in refractive index of the aromatic fraction which can occur when sulfuric acid and the fuel react. These corrections improved both the precision and the accuracy of the group-type results.

  20. Bioremediation of Mixtures of High Molecular Weight Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Xu, H.; Wu, J.; Shi, X.; Sun, Y.

    2014-12-01

    Although bioremediation has been considered as one of the most promising means to remove polycyclic aromatic hydrocarbons (PAHs) from polluted environments, the efficacy of PAHs bioremediation still remains challenged, especially for high molecular weight PAHs (HMW PAHs) and their mixtures. This study was focused on (a) isolation and characterization of pure strain and mixed microbial communities able to degrade HMW PAHs and (b) further evaluation of the ability of the isolated microbes to degrade HMW PAHs mixtures in the absence and presence of indigenous flora. Fluoranthene, benzo[b]fluoranthene and pyrene were selected as the representative HMW PAHs in this study. A pure bacterial strain, identified as Herbaspirillum chlorophenolicum FA1, was isolated from activated sludge. A mixed bacterial community designated as consortium-4 was isolated from petroleum contaminated soils, containing Pseudomonas sp. FbP1、Enterobacter sp. FbP2、Hydrogenophaga sp. FbP3 and Luteolibacter pohnpeiensis. FbP4. To our knowledge, this is the first study to demonstrate that bacterial strains of Herbaspirillum chlorophenolicum FA1 and Luteolibacter pohnpeiensis. FbP4 can also degrade fluoranthene, benzo[b]fluoranthene and pyrene. Experiment results showed that both strain FA1 and consortium-4 could degrade fluoranthene, benzo[b]fluoranthene and pyrene within a wide range of temperature, pH and initial PAHs concentration. Degradation of HMW PAHs mixtures (binary and ternary) demonstrated the interactive effects that can alter the rate and extent of biodegradation within a mixture. The presence of indigenous flora was found to either increase or decrease the degradation of HMW PAHs, suggesting possible synergistic or competition effects. Biodegradation kinetics of HMW PAHs for sole substrates, binary and ternary systems was evaluated, with the purpose to better characterize and compare the biodegradation process of individual HMW PAH and mixtures of HMW PAHs. Results of this study

  1. High-Performance Broadcasting Algorithms on Cluster

    Institute of Scientific and Technical Information of China (English)

    舒继武; 魏英霞; 王鼎兴

    2004-01-01

    In many clusters connected by high-speed communication networks, the exact structure of the underlying communication network and the latency difference between different sending and receiving pairs may be ignored when they broadcast, such as in the approach adopted by the broadcasting method in MPICH,a widely used MPI implementation. However, the underlying network cluster topologies are becoming more and more complicated and the performance of traditional broadcasting algorithms, such as MPICH's MPI_Bcast, is far from good. This paper analyzed the impact of communication latencies and the underlying topologies on the performance of broadcasting algorithms for multilevel clusters. A multilevel model was developed for broadcasting in clusters with complicated topologies, which divides the cluster topology into many levels based on the underlying topology. The multilevel model was used to develop a new broadcast algorithm,MLM broadcast-2 (MLMB-2), that adapts to a wide range of clusters. Comparison of the performance of the counterpart MPI operation MPI_Bcast and MLMB-2 shows that MLMB-2 outperforms MPl_Bcast by decreasing the broadcast running time by 60%-90%.

  2. Evolutive characteristics of aromatics under high pressure and temperature of deep lithosphere

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Pyrolysis of lignite in closed systems was conducted at temperatures from 400 to 700℃ and pressure from 1 to 3 GPa in order to investigate the evolutive characteristics of aromatics and the effects of pressure and temperature on the maturation of organic matter under the extreme conditions. The total yield of liquid hydrocarbons decreased with increasing pressure and the aromatics shows more mature with increasing temperature at a given pressure. The data indicate that high pressure significantly suppresses the thermal evolution of geological organic matter especially at lower temperature, but favors the cyclization, polymerization and aromatization of pyrolysate. The pressure effect on maturation of organic matter is nonlinear. Therefore, it can be inferred that sediment organic-matters in the subducted slab could be retained in the deep lithosphere, and the results are also significant for understanding the accumulation and preservation of petroleum in deep reservoirs.key wordshigh pressure and high temperature, lignite, aromatic hydrocarbon, maturation, isomerzation, petroleum in deep reservoirs

  3. Penicillium chrysogenum var. halophenolicum, a new halotolerant strain with potential in the remediation of aromatic compounds in high salt environments.

    Science.gov (United States)

    Leitão, Ana Lúcia; García-Estrada, Carlos; Ullán, Ricardo Vicente; Guedes, Sumaya Ferreira; Martín-Jiménez, Patricia; Mendes, Benilde; Martín, Juan Francisco

    2012-01-20

    A halotolerant phenylacetate-degrading fungus Penicillium CLONA2, previously isolated from a salt mine at Algarve (Portugal), was identified as a variant of P. chrysogenum using the ITS-5,8S rDNA and the D1/D2 domain of 28S rDNA sequences. The metabolic features and genetic characteristics suggest that this strain belongs to a subgroup of P. chrysogenum, named var. halophenolicum. The presence of the penicillin biosynthetic cluster was proven by Southern hybridizations using probes internal to the pcbAB and penDE genes and sequencing of the pcbAB-pcbC intergenic region. However the pcbAB-pcbC divergent promoter region contained 20 point modifications with respect to that of the wild type P. chrysogenum NRRL1951. The CLONA2 strain produced non-aromatic natural penicillins rather than benzylpenicillin in a medium containing potassium phenylacetate (the precursor of benzylpenicillin) and was able to grow well on phenylacetatic acid using it as sole carbon source. Due to the ability of P. chrysogenum CLONA2 to degrade aromatic compounds, this strain may be an interesting organism for aromatic compounds remediation in high salinity environments.

  4. A systematic investigation of cooperativity between two types of hydrogen bonding in the nonlinear clusters of an aromatic molecule: Pyrazole

    Science.gov (United States)

    Amini, Saeed K.

    2014-06-01

    Crystalline pyrazole consists of nonlinear chains of an aromatic molecule. It includes two independent molecules which in turn causes two different types of hydrogen bonds (HBs). These two types of HBs with slight differences in their Nsbnd H⋯N geometries can be considered as interesting ones in the recent studies of cooperativity between different HBs. These HBs are investigated in several pyrazole clusters by electronic structure calculations. Parameters such as structure, binding energy, charge transfer, chemical shielding and electric field gradient (EFG) parameters calculated at the second order Moller-Plesset perturbation (MP2) and density functional (DF) levels of theory. Both the basis set superposition error (BSSE) and zero point vibrational energy (ZPVE) corrections on the cooperativity enhancement were considered. Changes of different properties of clusters against crystal size were investigated by proposed diagrams fitted to a logarithmic function which renders their extrema in the crystal limit. In each cluster, pyrazole molecules for which their parameters are more affected by cooperativity enhancement were explored employing these fitted diagrams. Most calculated energetic and spectroscopic parameters were in good linear correlations with both the structural parameters and charge transfer along HB (q). These correlations in the cases of nuclear magnetic resonance (NMR) and nuclear quadrupolar resonance (NQR) parameters, were explained in the terms of natural charges of bonding (σ(N1sbnd H1)) and antibonding (σ*(N1sbnd H1)) orbitals. Organizing calculated data for mental clusters with similar molecules and HB types produced better regression values in all linear correlations. According to the experimental CQ of N(2) in solid state and zero charge transfer in the gas phase, the value of charge transfer in the crystalline pyrazole and gas phase value of CQ of N(2) were assessed, respectively. Diagrams of the structural parameters against either

  5. Aromatic amino acids in high selectivity bismuth(III) recognition.

    Science.gov (United States)

    Ghatak, Sumanta Kumar; Dey, Debarati; Sen, Souvik; Sen, Kamalika

    2013-04-21

    The three aromatic amino acids, tyrosine, tryptophan and phenylalanine, play different physiological roles in life processes. Metal ions capable of binding these amino acids may aid in the reduction of effective concentration of these amino acids in any physiological system. Here we have studied the efficacy of some heavy metals for their complexation with these three amino acids. Bismuth has been found to bind selectively with these aromatic amino acids and this was confirmed using spectrofluorimetric, spectrophotometric and cyclic voltammetric studies. The series of heavy metals has been chosen because each of these metals remains associated with the others at very low concentration levels and Bi(III) is the least toxic amongst the other elements. So, selective recognition for Bi(III) would also mean no response for the other heavy elements if contaminants are present even at low concentration levels. The affinity towards these amino acids has been found to be in the order tryptophan phenylalanine amino acids have been calculated using Benesi-Hildebrand equations and the corresponding free energy change has also been calculated. The values of the association constants obtained from BH equations using absorbance values corroborate with the Stern-Volmer constants obtained from fluorimetric studies. The evidence for complexation is also supported by the results of cyclic voltammetry.

  6. Ion distribution in quaternary-ammonium-functionalized aromatic polymers: effects on the ionic clustering and conductivity of anion-exchange membranes.

    Science.gov (United States)

    Weiber, E Annika; Jannasch, Patric

    2014-09-01

    A series of copoly(arylene ether sulfone)s that have precisely two, three, or four quaternary ammonium (QA) groups clustered directly on single phenylene rings along the backbone are studied as anion-exchange membranes. The copolymers are synthesized by condensation polymerizations that involve either di-, tri-, or tetramethylhydroquinone followed by virtually complete benzylic bromination using N-bromosuccinimide and quaternization with trimethylamine. This synthetic strategy allows excellent control and systematic variation of the local density and distribution of QA groups along the backbone. Small-angle X-ray scattering of these copolymers shows extensive ionic clustering, promoted by an increasing density of QA on the single phenylene rings. At an ion-exchange capacity (IEC) of 2.1 meq g(-1), the water uptake decreases with the increasing local density of QA groups. Moreover, at moderate IECs at 20 °C, the Br(-) conductivity of the densely functionalized copolymers is higher than a corresponding randomly functionalized polymer, despite the significantly higher water uptake of the latter. Thus, the location of multiple cations on single aromatic rings in the polymers facilitates the formation of a distinct percolating hydrophilic phase domain with a high ionic concentration to promote efficient anion transport, despite probable limitations by reduced ion dissociation. These findings imply a viable strategy to improve the performance of alkaline membrane fuel cells.

  7. Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways

    Directory of Open Access Journals (Sweden)

    D. K. Henze

    2007-10-01

    Full Text Available Formation of SOA from the aromatic species toluene, xylene, and, for the first time, benzene, is added to a global chemical transport model. A simple mechanism is presented that accounts for competition between low and high-yield pathways of SOA formation, wherein secondary gas-phase products react further with either nitrogen oxide (NO or hydroperoxy radical (HO2 to yield semi- or non-volatile products, respectively. Aromatic species yield more SOA when they react with OH in regions where the [NO]/[HO2] ratios are lower. The SOA yield thus depends upon the distribution of aromatic emissions, with biomass burning emissions being in areas with lower [NO]/[HO2] ratios, and the reactivity of the aromatic with respect to OH, as a lower initial reactivity allows transport away from industrial source regions, where [NO]/[HO2] ratios are higher, to more remote regions, where this ratio is lower and, hence, the ultimate yield of SOA is higher. As a result, benzene is estimated to be the most important aromatic species with regards to formation of SOA, with a total production nearly equal that of toluene and xylene combined. In total, while only 39% percent of the aromatic species react via the low-NOx pathway, 72% of the aromatic SOA is formed via this mechanism. Predicted SOA concentrations from aromatics in the Eastern United States and Eastern Europe are actually largest during the summer, when the [NO]/[HO2] ratio is lower. Global production of SOA from aromatic sources is estimated at 3.5 Tg/yr, resulting in a global burden of 0.08 Tg, twice as large as previous estimates. The contribution of these largely anthropogenic sources to global SOA is still small relative to biogenic sources, which are estimated to comprise 90% of the global SOA burden, about half of which comes from isoprene. Compared to recent observations, it would appear there are additional pathways beyond those

  8. Highly Conductive Aromatic Functionalized Multi-Walled Carbon Nanotube for Inkjet Printable High Performance Supercapacitor Electrodes.

    Directory of Open Access Journals (Sweden)

    Sanjeev K Ujjain

    Full Text Available We report the functionalization of multiwalled carbon nanotubes (MWCNT via the 1,3-dipolar [3+2] cycloaddition of aromatic azides, which resulted in a detangled CNT as shown by transmission electron microscopy (TEM. Carboxylic moieties (-COOH on aromatic azide result in highly stable aqueous dispersion (max. conc. ~ 10 mg/mL H2O, making the suitable for inkjet printing. Printed patterns on polyethylene terephthalate (PET flexible substrate exhibit low sheet resistivity ~65 Ω. cm, which is attributed to enhanced conductivity. Fabricated Supercapacitors (SC assembled using these printed substrates exhibit good electrochemical performance in organic as well as aqueous electrolytes. High energy and power density (57.8 Wh/kg and 0.85 kW/kg in 1M H2SO4 aqueous electrolyte demonstrate the excellent performance of the proposed supercapacitor. Capacitive retention varies from ~85-94% with columbic efficiency ~95% after 1000 charge/discharge cycles in different electrolytes, demonstrating the excellent potential of the device for futuristic power applications.

  9. Bayberry-like ZnO/MFI zeolite as high performance methanol-to-aromatics catalyst.

    Science.gov (United States)

    Wang, Ning; Qian, Weizhong; Shen, Kui; Su, Chang; Wei, Fei

    2016-02-01

    Unique bayberry-like MFI zeolites are synthesized through a quasi-solid-state crystallization approach. This hierarchical zeolite structure has a relatively thick shell, densely grown nanocrystals with an ordered packed channel, high mechanical stability, high surface area and a low Si/Al ratio. Its catalytic efficiency for methanol-to-aromatics is significantly higher than that of conventional MFI zeolites.

  10. The Highly Polarized Open Cluster Trumpler 27

    Science.gov (United States)

    Feinstein, Carlos; Baume, Gustavo; Vazquez, Ruben; Niemela, Virpi; Cerruti, Miguel Angel

    2000-10-01

    We have carried out multicolor linear polarimetry (UBVRI) of the brightest stars in the area of the open cluster Trumpler 27. Our data show a high level of polarization in the stellar light with a considerable dispersion, from P=4% to P=9.5%. The polarization vectors of the cluster members appear to be aligned. Foreground polarization was estimated from the data of some nonmember objects, for which two different components were resolved: the first one associated with a dust cloud close to the Sun producing Pλmax=1.3% and θ=146°, and a second component, the main source of polarization for the cluster members, originating in another dust cloud, which polarizes the light in the direction of θ=29.5d. From a detailed analysis, we found that the two components have associated values EB-V0.75 for the other. Due the difference in the orientation of both polarization vectors, almost 90° (180° at the Stokes representation), the first cloud (θ~146°) depolarizes the light strongly polarized by the second one (θ~29.5d). Based on observations obtanined at Complejo Astronómico El Leoncito (CASLEO), operated under agreement between CONICET and the National Universities of La Plata, Córdoba, and San Juan, Argentina.

  11. The highly polarized open cluster Trumpler 27

    CERN Document Server

    Feinstein, C; Vázquez, R A; Niemela, V S; Cerruti, M A; Feinstein, Carlos; Baume, Gustavo; Vazquez, Ruben; Niemela, Virpi; Cerruti, Miguel Angel

    2000-01-01

    We have carried out multicolor linear polarimetry (UBVRI) of the brightest stars in the area of the open cluster Trumpler 27. Our data show a high level of polarization in the stellar light with a considerable dispersion, from $P = 4%$ to $P = 9.5%$. The polarization vectors of the cluster members appear to be aligned. Foreground polarization was estimated from the data of some non-member objects, for which two different components were resolved: the first one associated with a dust cloud close to the Sun producing $P_{\\lambda max}=1.3%$ and $\\theta=146$ degrees, and a second component, the main source of polarization for the cluster members, originated in another dust cloud, which polarizes the light in the direction of $\\theta= 29.5$ degrees. From a detailed analysis, we found that the two components have associated values $E_{B-V} 0.75$ for the other. Due the difference in the orientation of both polarization vectors, almost 90 degrees (180 degrees at the Stokes representation), the first cloud ($\\theta \\...

  12. Efficient Route to Highly Water-Soluble Aromatic Cyclic Hydroxamic Acid Ligands

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, Michael; Raymond, Kenneth N.

    2008-02-06

    2-Hydroxyisoquinolin-1-one (1,2-HOIQO) is a new member of the important class of aromatic cyclic hydroxamic acid ligands which are widely used in metal sequestering applications and metal chelating therapy. The first general approach for the introduction of substituents at the aromatic ring of the chelating moiety is presented. As a useful derivative, the highly water-soluble sulfonic acid has been synthesized by an efficient route that allows general access to 1,2-HOQIO 3-carboxlic acid amides, which are the most relevant for applications.

  13. Peculiarities in aromatization mechanism of low-molecular aliphatic compounds over high-silica zeolites

    Energy Technology Data Exchange (ETDEWEB)

    Isagulyants, G.V.; Gitis, K.M.; Dubinskij, Yu.G.; Timokhov, A.G.; Kornyshev, V.N. (AN SSSR, Moscow. Inst. Organicheskoj Khimii)

    1984-01-01

    By means of /sup 14/C labelled compounds, transformations of methanol, lower olefins and piperylene over high-silica zeolites the data on the mechanism of carbon sceleton growth in the course of olefins production from methanol and aromatic piperylene hydrocarbons are obtained. Compound transformations have been studied at the pulse microcatalytic installation with radiochromatographic analysis of products.

  14. [GC x GC measurements of atmospheric aromatic compounds near a busy high-speed road in Beijing].

    Science.gov (United States)

    Mao, Ting; Xu, Xiao-bin; Wang, Ying

    2009-10-15

    Comprehensive two-dimensional gas chromatography (GC x GC) is a powerful instrumental tool often used to analyze complex mixtures. An optimized GC x GC method had been applied to the quantitative analysis of aromatic compounds in air samples collected near a busy high-speed road in Beijing during the 2007 National Holidays. In the resulting GC x GC chromatograms, aromatic species were resolved from other compound classes and were grouped in a manner that facilitated identification and integration, showing more information of aromatic compounds compared to traditional one-dimensional GC. Totally more than 30 aromatic species were identified and quantified. The average concentrations of monocyclic aromatic compounds ranged from 0.75 x 10(-9) to 24.64 x 10(-9) C, with toluene having the highest concentration, followed by m, p-xylene and ethylbenzene. The average concentrations of the measured polycyclic aromatic compounds ranged from 0.03 x 10(-9) to 2.28 x 10(-9) C, with naphthalene having the highest concentration, followed by 2-methyl-naphthalene and 4-methyl-1, 1'-biphenyl. The four-ring and higher polycyclic aromatic compounds were not detectable in the gaseous samples. The levels of aromatic compounds were significantly influenced by meteorological parameters. Benzene and toluene were poorly correlated with higher aromatic compounds though the latter compounds were highly correlated among each other, suggesting that both were significantly influenced by sources other than vehicle exhaust and gasoline evaporation.

  15. Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs. low-yield pathways

    Directory of Open Access Journals (Sweden)

    D. K. Henze

    2008-05-01

    Full Text Available Formation of SOA from the aromatic species toluene, xylene, and, for the first time, benzene, is added to a global chemical transport model. A simple mechanism is presented that accounts for competition between low and high-yield pathways of SOA formation, wherein secondary gas-phase products react further with either nitric oxide (NO or hydroperoxy radical (HO2 to yield semi- or non-volatile products, respectively. Aromatic species yield more SOA when they react with OH in regions where the [NO]/[HO2] ratios are lower. The SOA yield thus depends upon the distribution of aromatic emissions, with biomass burning emissions being in areas with lower [NO]/[HO2] ratios, and the reactivity of the aromatic with respect to OH, as a lower initial reactivity allows transport away from industrial source regions, where [NO]/[HO2] ratios are higher, to more remote regions, where this ratio is lower and, hence, the ultimate yield of SOA is higher. As a result, benzene is estimated to be the most important aromatic species with regards to global formation of SOA, with a total production nearly equal that of toluene and xylene combined. Global production of SOA from aromatic sources via the mechanisms identified here is estimated at 3.5 Tg/yr, resulting in a global burden of 0.08 Tg, twice as large as previous estimates. The contribution of these largely anthropogenic sources to global SOA is still small relative to biogenic sources, which are estimated to comprise 90% of the global SOA burden, about half of which comes from isoprene. Uncertainty in these estimates owing to factors ranging from the atmospheric relevance of chamber conditions to model deficiencies result in an estimated range of SOA production from aromatics of 2–12 Tg/yr. Though this uncertainty range affords a significant anthropogenic contribution to global SOA, it is evident from comparisons to recent observations that additional pathways for

  16. Aromatic Polyurea Possessing High Electrical Energy Density and Low Loss

    Science.gov (United States)

    Thakur, Yash; Lin, Minren; Wu, Shan; Zhang, Q. M.

    2016-10-01

    We report the development of a dielectric polymer, poly (ether methyl ether urea) (PEMEU), which possesses a dielectric constant of 4 and is thermally stable up to 150°C. The experimental results show that the ether units are effective in softening the rigid polymer and making it thermally processable, while the high dipole moment of urea units and glass structure of the polymer leads to a low dielectric loss and low conduction loss. As a result, PEMEU high quality thin films can be fabricated which exhibit exceptionally high breakdown field of >1.5 GV/m, and a low conduction loss at fields up to the breakdown. Consequently, the PEMEU films exhibit a high charge-discharge efficiency of 90% and a high discharged energy density of 36 J/cm3.

  17. σ-Aromatic cyclic M3(+) (M = Cu, Ag, Au) clusters and their complexation with dimethyl imidazol-2-ylidene, pyridine, isoxazole, furan, noble gases and carbon monoxide.

    Science.gov (United States)

    Pan, Sudip; Saha, Ranajit; Mandal, Subhajit; Chattaraj, Pratim K

    2016-04-28

    The σ-aromaticity of M3(+) (M = Cu, Ag, Au) is analyzed and compared with that of Li3(+) and a prototype σ-aromatic system, H3(+). Ligands (L) like dimethyl imidazol-2-ylidene, pyridine, isoxazole and furan are employed to stabilize these monocationic M3(+) clusters. They all bind M3(+) with favorable interaction energy. Dimethyl imidazol-2-ylidene forms the strongest bond with M3(+) followed by pyridine, isoxazole and furan. Electrostatic contribution is considerably more than that of orbital contribution in these M-L bonds. The orbital interaction arises from both L → M σ donation and L ← M back donation. M3(+) clusters also bind noble gas atoms and carbon monoxide effectively. In general, among the studied systems Au3(+) binds a given L most strongly followed by Cu3(+) and Ag3(+). Computation of the nucleus-independent chemical shift (NICS) and its different extensions like the NICS-rate and NICS in-plane component vs. NICS out-of-plane component shows that the σ-aromaticity in L bound M3(+) increases compared to that of bare clusters. The aromaticity in pyridine, isoxazole and furan bound Au3(+) complexes is quite comparable with that in the recently synthesized Zn3(C5(CH3)5)3(+). The energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital also increases upon binding with L. The blue-shift and red-shift in the C-O stretching frequency of M3(CO)3(+) and M3(OC)3(+), respectively, are analyzed through reverse polarization of the σ- and π-orbitals of CO as well as the relative amount of OC → M σ donation and M → CO π back donation. The electron density analysis is also performed to gain further insight into the nature of interaction.

  18. Aromatic side-chain cluster of biotin binding site of avidin allows circular dichroism spectroscopic investigation of its ligand binding properties.

    Science.gov (United States)

    Zsila, Ferenc

    2011-01-01

    Promiscuous ligand binding by hen egg-white avidin has been demonstrated and studied by using circular dichroism (CD) spectroscopy complemented by molecular docking calculations. It has been shown that the biotin-binding pocket of avidin is able to accommodate a wide variety of chemical compounds including therapeutic drugs (e.g., thalidomide, NSAIDs, antihistamines), natural compounds (bilirubin, myristic acid), and synthetic agents (xanthenone dyes). The cluster of aromatic residues located at the biotin-binding pocket renders the intrinsic CD spectrum of avidin sensitive to ligand binding that results in the increase of the vibronic components of the (1) L(b) transition of the Trp residues. Extrinsic (induced) CD bands measured with chemically diverse avidin ligands are generated by intramolecular coupled oscillator (e.g., bilirubin) or by intermolecular ligand-Trp exciton coupling mechanism [e.g., 2-(4'-hydroxyazobenzene)-benzoic acid (HABA)]. Among the compounds of which avidin-binding affinity constants have been calculated, two novel high-affinity ligands, flufenamic acid and an enzyme inhibitor thiazole derivative have been identified (K(d) ≈ 1 μM). Avidin binding mode of the ligand molecules has been discussed in the light of docking results. The induced CD profile of the thiazole derivative has been correlated with the stereochemistry of its docked conformation. The important role in the ligand binding of a polar side-chain cluster at the bottom of the biotin-binding cavity as well as the analogous avidin-binding mode of HABA and fenamic acid type NSAIDs have been proposed. Copyright © 2011 John Wiley & Sons, Ltd.

  19. CABOSFV algorithm for high dimensional sparse data clustering

    Institute of Scientific and Technical Information of China (English)

    Sen Wu; Xuedong Gao

    2004-01-01

    An algorithm, Clustering Algorithm Based On Sparse Feature Vector (CABOSFV), was proposed for the high dimensional clustering of binary sparse data. This algorithm compresses the data effectively by using a tool 'Sparse Feature Vector', thus reduces the data scale enormously, and can get the clustering result with only one data scan. Both theoretical analysis and empirical tests showed that CABOSFV is of low computational complexity. The algorithm finds clusters in high dimensional large datasets efficiently and handles noise effectively.

  20. Chromatic $k$-Mean Clustering in High Dimensional Space

    CERN Document Server

    Ding, Hu

    2012-01-01

    In this paper, we study a new type of clustering problem, called {\\em Chromatic Clustering}, in high dimensional space. Chromatic clustering seeks to partition a set of colored points into groups (or clusters) so that no group contains points with the same color and a certain objective function is optimized. In this paper, we focus on $k$-mean clustering, and investigate its hardness and approximation solutions. The additional coloring requirement destroys some key properties used in existing $k$-mean clustering techniques (for the ordinary clustering problem), and significantly complicates the problem. There is no FPTAS for the chromatic clustering problem, even if $k=2$. Based on several new geometric observations and an interesting sphere peeling approach, we show that a near linear time (on $n$ and $d$) $(1+\\epsilon)$-approximation is, however, still achievable for the chromatic clustering problem.

  1. Ultrafast folding of WW domains without structured aromatic clusters in the denatured state.

    Science.gov (United States)

    Ferguson, N; Johnson, C M; Macias, M; Oschkinat, H; Fersht, A

    2001-11-06

    Ultrafast-folding proteins are important for combining experiment and simulation to give complete descriptions of folding pathways. The WW domain family comprises small proteins with a three-stranded antiparallel beta-sheet topology. Previous studies on the 57-residue YAP 65 WW domain indicate the presence of residual structure in the chemically denatured state. Here we analyze three minimal core WW domains of 38-44 residues. There was little spectroscopic or thermodynamic evidence for residual structure in either their chemically or thermally denatured states. Folding and unfolding kinetics, studied by using rapid temperature-jump and continuous-flow techniques, show that each domain folds and unfolds very rapidly in a two-state transition through a highly compact transition state. Folding half-times were as short as 17 micros at 25 degrees C, within an order of magnitude of the predicted maximal rate of loop formation. The small size and topological simplicity of these domains, in conjunction with their very rapid two-state folding, may allow us to reduce the difference in time scale between experiment and theoretical simulation.

  2. Dynamic Clustering Of High Speed Data Streams

    Directory of Open Access Journals (Sweden)

    J. Chandrika

    2012-03-01

    Full Text Available We consider the problem of clustering data streams. A data stream can roughly be thought of as a transient, continuously increasing sequence of time-stamped data. In order to maintain an up-to-date clustering structure, it is necessary to analyze the incoming data in an online manner, tolerating but a constant time delay. The purpose of this study is to analyze the working of popular algorithms on clustering data streams and make a comparative analysis.

  3. Clusters of Galaxies at High Redshift

    Science.gov (United States)

    Fort, Bernard

    For a long time, the small number of clusters at z > 0.3 in the Abell survey catalogue and simulations of the standard CDM formation of large scale structures provided a paradigm where clusters were considered as young merging structures. At earlier times, loose concentrations of galaxy clumps were mostly anticipated. Recent observations broke the taboo. Progressively we became convinced that compact and massive clusters at z = 1 or possibly beyond exist and should be searched for.

  4. Evaluating Clustering in Subspace Projections of High Dimensional Data

    DEFF Research Database (Denmark)

    Müller, Emmanuel; Günnemann, Stephan; Assent, Ira

    2009-01-01

    Clustering high dimensional data is an emerging research field. Subspace clustering or projected clustering group similar objects in subspaces, i.e. projections, of the full space. In the past decade, several clustering paradigms have been developed in parallel, without thorough evaluation and co...... and create a common baseline for future developments and comparable evaluations in the field. For repeatability, all implementations, data sets and evaluation measures are available on our website....

  5. A High-Order CFS Algorithm for Clustering Big Data

    OpenAIRE

    Fanyu Bu; Zhikui Chen; Peng Li; Tong Tang; Ying Zhang

    2016-01-01

    With the development of Internet of Everything such as Internet of Things, Internet of People, and Industrial Internet, big data is being generated. Clustering is a widely used technique for big data analytics and mining. However, most of current algorithms are not effective to cluster heterogeneous data which is prevalent in big data. In this paper, we propose a high-order CFS algorithm (HOCFS) to cluster heterogeneous data by combining the CFS clustering algorithm and the dropout deep learn...

  6. High-energy neutrinos from sources in clusters of galaxies

    CERN Document Server

    Fang, Ke

    2016-01-01

    High-energy cosmic rays can be accelerated in clusters of galaxies, by mega-parsec scale shocks induced by accretion of gas during the formation of large-scale structure, or by powerful sources harbored in clusters. Once accelerated, the highest energy particles leave the cluster via almost rectilinear trajectories, while lower energy ones can be confined by the cluster magnetic field up to cosmological time and interact with the intracluster gas. Using a realistic model of the baryon distribution and the turbulent magnetic field in clusters, we studied the propagation and hadronic interaction of high-energy protons in the intracluster medium. We report the cumulative cosmic ray and neutrino spectra generated by galaxy clusters including embedded sources, and demonstrate that clusters can contribute a significant fraction of the observed IceCube neutrinos above 30 TeV while remaining undetected in high-energy cosmic rays and $\\gamma$ rays for reasonable choices of parameters and source scenarios.

  7. Polycyclic aromatic hydrocarbon composition in soils and sediments of high altitude lakes

    Energy Technology Data Exchange (ETDEWEB)

    Grimalt, Joan O.; Drooge, Barend L. van; Ribes, Alejandra; Fernandez, Pilar; Appleby, Peter

    2004-09-01

    Polycyclic aromatic hydrocarbons (PAH) in lake sediments and nearby soils of two European high mountain regions, Pyrenees and Tatra, have been studied. Similar mixtures of parent PAH were observed in all cases, indicating predominance of airborne transported combustion products. Nevertheless, the composition of these atmospherically long-range transported PAH was better preserved in the superficial layers of soils than sediments. This difference points to significant PAH degradation process, e.g. during lake water column transport, before accumulation in the latter. Post-depositional transformation was also different in both types of environmental compartments. Thus, lake sediments exhibit higher preservation of the more labile PAH involving lower degree of post-depositional oxidation. However, they also show the formation of major amounts of perylene by diagenetic transformation in the deep sections. This compound is not formed in soils where downcore enrichments of phenanthrene are observed, probably as a consequence of diagenetic aromatization of diterpenoids.

  8. Noble Gas Clusters and Nanoplasmas in High Harmonic Generation

    CERN Document Server

    Aladi, M; Rácz, P; Földes, I B

    2015-01-01

    We report a study of high harmonic generation from noble gas clusters of xenon atoms in a gas jet. Harmonic spectra were investigated as a function of backing pressure, showing spectral shifts due to the nanoplasma electrons in the clusters. At certain value of laser intensity this process may oppose the effect of the well-known ionization-induced blueshift. In addition, these cluster-induced harmonic redshifts may give the possibility to estimate cluster density and cluster size in the laser-gas jet interaction range.

  9. Galaxy Merger Candidates in High-redshift Cluster Environments

    Science.gov (United States)

    Delahaye, A. G.; Webb, T. M. A.; Nantais, J.; DeGroot, A.; Wilson, G.; Muzzin, A.; Yee, H. K. C.; Foltz, R.; Noble, A. G.; Demarco, R.; Tudorica, A.; Cooper, M. C.; Lidman, C.; Perlmutter, S.; Hayden, B.; Boone, K.; Surace, J.

    2017-07-01

    We compile a sample of spectroscopically and photometrically selected cluster galaxies from four high-redshift galaxy clusters (1.59contamination from interlopers, {11.0}-5.6+7.0 % of the cluster members are involved in potential mergers, compared to {24.7}-4.6+5.3 % of the field galaxies. We see no evidence of merger enhancement in the central cluster environment with respect to the field, suggesting that galaxy-galaxy merging is not a stronger source of galaxy evolution in cluster environments compared to the field at these redshifts.

  10. Steam stripping of polycyclic aromatics from simulated high-level radioactive waste

    Energy Technology Data Exchange (ETDEWEB)

    Lambert, D.P.; Shah, H.B.; Young, S.R.; Edwards, R.E.; Carter, J.T.

    1992-12-31

    The Defense Waste Processing Facility (DWPF) at the Savannah River Site (SRS) will be the United States` first facility to process High Level radioactive Waste (HLW) into a borosilicate glass matrix. The removal of aromatic precipitates by hydrolysis, evaporation, liquid-liquid extraction and decantation will be a key step in the processing of the HLW. This step, titled the Precipitate Hydrolysis Process, has been demonstrated by the Savannah River Technology Center with the Precipitate Hydrolysis Experimental Facility (PHEF). The mission of the PHEF is to demonstrate processing of simulated high level radioactive waste which contains tetraphenylborate precipitates and nitrite. Aqueous washing or nitrite destruction is used to reduce nitrite. Formic acid with a copper catalyst is used to hydrolyze tetraphenylborate (TPB). The primary offgases are benzene, carbon dioxide, nitrous oxide, and nitric oxide. Hydrolysis of TPB in the presence of nitrite results in the production of polycyclic aromatics and aromatic amines (referred as high boiling organics) such as biphenyl, diphenylamine, terphenyls etc. The decanter separates the organic (benzene) and aqueous phase, but the high boiling organic separation is difficult. This paper focuses on the evaluation of the operating strategies, including steam stripping, to maximize the removal of the high boiling organics from the aqueous stream. Two areas were investigated, (1) a stream stripping comparison of the late wash flowsheet to the HAN flowsheet and (2) the extraction performance of the original decanter to the new decanter. The focus of both studies was to minimize the high boiling organic content of the Precipitate Hydrolysis Aqueous (PHA) product in order to minimize downstream impacts caused by organic deposition.

  11. A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4(-) (M = Li, Na, K, Rb, Cu, Ag and Au).

    Science.gov (United States)

    Brito, Bráulio Gabriel A; Hai, G-Q; Teixeira Rabelo, J N; Cândido, Ladir

    2014-05-14

    Using fixed-node diffusion quantum Monte Carlo (FN-DMC) simulation we investigate the electron correlation in all-metal aromatic clusters MAl4(-) (with M = Li, Na, K, Rb, Cu, Ag and Au). The electron detachment energies and electron affinities of the clusters are obtained. The vertical electron detachment energies obtained from the FN-DMC calculations are in very good agreement with the available experimental results. Calculations are also performed within the Hartree-Fock approximation, density-functional theory (DFT), and the couple-cluster (CCSD(T)) method. From the obtained results, we analyse the impact of the electron correlation effects in these bimetallic clusters and find that the correlation of the valence electrons contributes significantly to the detachment energies and electron affinities, varying between 20% and 50% of their total values. Furthermore, we discuss the electron correlation effects on the stability of the clusters as well as the accuracy of the DFT and CCSD(T) calculations in the present systems.

  12. High-Redshift Clusters form NVSS: The TexOx Cluster (TOC) Survey

    Energy Technology Data Exchange (ETDEWEB)

    Croft, S; Rawlings, S; Hill, G J

    2003-02-11

    The TexOx Cluster (TOC) Survey uses overdensities of radiosources in the NVSS to trace clusters of galaxies. The links between radiosources and rich environments make this a powerful way to find clusters which may potentially be overlooked by other selection techniques. By including constraints from optical surveys, TOC is an extremely efficient way to find clusters at high redshift. One such field, TOC J0233.3+3021, contains at least one galaxy cluster (at z {approx} 1.4) and has been detected using the Sunyaev-Zel'dovich (SZ) effect. Even in targeted deep optical observations, however, distinguishing the cluster galaxies from the background is difficult, especially given the tendency of TOC to select fields containing multiple structures at different redshifts.

  13. High-redshift clusters from NVSS The TexOx Cluster (TOC) Survey

    CERN Document Server

    Croft, S; Hill, G J; Croft, Steve; Rawlings, Steve; Hill, Gary J.

    2003-01-01

    The TexOx Cluster (TOC) Survey uses overdensities of radiosources in the NVSS to trace clusters of galaxies. The links between radiosources and rich environments make this a powerful way to find clusters which may potentially be overlooked by other selection techniques. By including constraints from optical surveys, TOC is an extremely efficient way to find clusters at high redshift. One such field, TOC J0233.3+3021, contains at least one galaxy cluster (at z ~ 1.4) and has been detected using the Sunyaev-Zel'dovich (SZ) effect. Even in targetted deep optical observations, however, distinguishing the cluster galaxies from the background is difficult, especially given the tendency of TOC to select fields containing multiple structures at different redshifts.

  14. Evaluating Clustering in Subspace Projections of High Dimensional Data

    DEFF Research Database (Denmark)

    Müller, Emmanuel; Günnemann, Stephan; Assent, Ira

    2009-01-01

    of the clustering result. Finally, in typical publications authors have limited their analysis to their favored paradigm only, while paying other paradigms little or no attention. In this paper, we take a systematic approach to evaluate the major paradigms in a common framework. We study representative clustering......Clustering high dimensional data is an emerging research field. Subspace clustering or projected clustering group similar objects in subspaces, i.e. projections, of the full space. In the past decade, several clustering paradigms have been developed in parallel, without thorough evaluation...... and comparison between these paradigms on a common basis. Conclusive evaluation and comparison is challenged by three major issues. First, there is no ground truth that describes the "true" clusters in real world data. Second, a large variety of evaluation measures have been used that reflect different aspects...

  15. Cluster size dependence of high-order harmonic generation

    Science.gov (United States)

    Tao, Y.; Hagmeijer, R.; Bastiaens, H. M. J.; Goh, S. J.; van der Slot, P. J. M.; Biedron, S. G.; Milton, S. V.; Boller, K.-J.

    2017-08-01

    We investigate high-order harmonic generation (HHG) from noble gas clusters in a supersonic gas jet. To identify the contribution of harmonic generation from clusters versus that from gas monomers, we measure the high-order harmonic output over a broad range of the total atomic number density in the jet (from 3×1016 to 3 × 1018 {{cm}}-3) at two different reservoir temperatures (303 and 363 K). For the first time in the evaluation of the harmonic yield in such measurements, the variation of the liquid mass fraction, g, versus pressure and temperature is taken into consideration, which we determine, reliably and consistently, to be below 20% within our range of experimental parameters. By comparing the measured harmonic yield from a thin jet with the calculated corresponding yield from monomers alone, we find an increased emission of the harmonics when the average cluster size is less than 3000. Using g, under the assumption that the emission from monomers and clusters add up coherently, we calculate the ratio of the average single-atom response of an atom within a cluster to that of a monomer and find an enhancement of around 100 for very small average cluster size (∼200). We do not find any dependence of the cut-off frequency on the composition of the cluster jet. This implies that HHG in clusters is based on electrons that return to their parent ions and not to neighboring ions in the cluster. To fully employ the enhanced average single-atom response found for small average cluster sizes (∼200), the nozzle producing the cluster jet must provide a large liquid mass fraction at these small cluster sizes for increasing the harmonic yield. Moreover, cluster jets may allow for quasi-phase matching, as the higher mass of clusters allows for a higher density contrast in spatially structuring the nonlinear medium.

  16. Functional Clustering Algorithm for High-Dimensional Proteomics Data

    Directory of Open Access Journals (Sweden)

    Halima Bensmail

    2005-01-01

    Full Text Available Clustering proteomics data is a challenging problem for any traditional clustering algorithm. Usually, the number of samples is largely smaller than the number of protein peaks. The use of a clustering algorithm which does not take into consideration the number of features of variables (here the number of peaks is needed. An innovative hierarchical clustering algorithm may be a good approach. We propose here a new dissimilarity measure for the hierarchical clustering combined with a functional data analysis. We present a specific application of functional data analysis (FDA to a high-throughput proteomics study. The high performance of the proposed algorithm is compared to two popular dissimilarity measures in the clustering of normal and human T-cell leukemia virus type 1 (HTLV-1-infected patients samples.

  17. Polyhedral-based nonlinear optical materials. 2. Theoretical investigation of some new high nonlinear optical response compounds involving polyhedral bridges with charged aromatic donors and acceptors.

    Science.gov (United States)

    Allis, D G; Spencer, J T

    2001-07-02

    A theoretical study of several new classes of polyhedral-based molecules has shown that these species display large calculated nonlinear optical responses. These new classes of molecules are based on charged aromatic subunits connected through polyhedral cluster bridges, such as closo-[1-(C(7)H(6))-12-(C(5)Me(4))C(2)B(10)H(10)]. These compounds show calculated first hyperpolarizabilities (beta) ranging from 6.5 to 8413.9 x 10(-30) cm(5) esu(-1). A basis for understanding the origin of these large responses is proposed based on the two-state model and consideration of the orbital and electronic features of the molecules. In general, the highest occupied molecular orbitals for these species are localized on the aromatic donor rings, such as the cyclopentadienyl system, while the lowest unoccupied molecular orbitals are largely on the aromatic acceptor rings, such as the tropylium system. The electronic properties of these polyhedral-based systems appear to be significantly different from the analogous organic [5.6.7]quinarene system (tropyliumcyclopentadienylbenzene). The organic quinarene appears to behave as a completely electron-delocalized system over all three rings while the polyhedral-based compounds can best be described as consisting of two relatively independent, highly polarized regions.

  18. High Frequency Cluster Radio Galaxies: Luminosity Functions and Implications for SZE Selected Cluster Samples

    Science.gov (United States)

    Gupta, N.; Saro, A.; Mohr, J. J.; Benson, B. A.; Bocquet, S.; Capasso, R.; Carlstrom, J. E.; Chiu, I.; Crawford, T. M.; de Haan, T.; Dietrich, J. P.; Gangkofner, C.; Holzapfel, W. L.; McDonald, M.; Rapetti, D.; Reichardt, C. L.

    2017-01-01

    We study the overdensity of point sources in the direction of X-ray-selected galaxy clusters from the Meta-Catalog of X-ray detected Clusters of galaxies (MCXC; = 0.14) at South Pole Telescope (SPT) and Sydney University Molonglo Sky Survey (SUMSS) frequencies. Flux densities at 95, 150 and 220 GHz are extracted from the 2500 deg2 SPT-SZ survey maps at the locations of SUMSS sources, producing a multi-frequency catalog of radio galaxies. In the direction of massive galaxy clusters, the radio galaxy flux densities at 95 and 150 GHz are biased low by the cluster Sunyaev-Zel'dovich Effect (SZE) signal, which is negative at these frequencies. We employ a cluster SZE model to remove the expected flux bias and then study these corrected source catalogs. We find that the high frequency radio galaxies are centrally concentrated within the clusters and that their luminosity functions (LFs) exhibit amplitudes that are characteristically an order of magnitude lower than the cluster LF at 843 MHz. We use the 150 GHz LF to estimate the impact of cluster radio galaxies on an SPT-SZ like survey. The radio galaxy flux typically produces a small bias on the SZE signal and has negligible impact on the observed scatter in the SZE mass-observable relation. If we assume there is no redshift evolution in the radio galaxy LF then 1.8 ± 0.7 percent of the clusters with detection significance ξ ≥ 4.5 would be lost from the sample. Allowing for redshift evolution of the form (1 + z)2.5 increases the incompleteness to 5.6 ± 1.0 percent. Improved constraints on the evolution of the cluster radio galaxy LF require a larger cluster sample extending to higher redshift.

  19. STAR FORMATION IN HIGH-REDSHIFT CLUSTER ELLIPTICALS

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, Cory R.; Brodwin, Mark [Department of Physics and Astronomy, University of Missouri, 5110 Rockhill Road, Kansas City, MO 64110 (United States); Snyder, Gregory F. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Gonzalez, Anthony H.; Mancone, Conor L. [Department of Astronomy, University of Florida, Gainesville, FL 32611 (United States); Stanford, S. A. [University of California, Davis, CA 95616 (United States); Alberts, Stacey; Pope, Alexandra [Department of Astronomy, University of Massachusetts, Amherst, MA 01003 (United States); Stern, Daniel; Eisenhardt, Peter R. M. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Zeimann, Gregory R. [Department of Astronomy and Astrophysics, Pennsylvania State University, 525 Davey Laboratory, University Park, PA 16802 (United States); Chary, Ranga-Ram [Spitzer Science Center, MC 220-6, California Institute of Technology, 1200 East California Boulevard, Pasadena, CA 91109 (United States); Dey, Arjun [NOAO, 950 North Cherry Avenue, Tucson, AZ 85719 (United States); Moustakas, John, E-mail: cwagner@astro.queensu.ca [Department of Physics and Astronomy, Siena College, 515 Loudon Road, Loudonville, NY 12211 (United States)

    2015-02-20

    We measure the star formation rates (SFRs) of massive (M {sub *} > 10{sup 10.1} M {sub ☉}) early-type galaxies (ETGs) in a sample of 11 high-redshift (1.0 < z < 1.5) galaxy clusters drawn from the IRAC Shallow Cluster Survey (ISCS). We identify ETGs visually from Hubble Space Telescope imaging and select likely cluster members as having either an appropriate spectroscopic redshift or red-sequence color. Mid-infrared SFRs are measured using Spitzer 24 μm data for isolated cluster galaxies for which contamination by neighbors, and active galactic nuclei, can be ruled out. Cluster ETGs show enhanced specific star formation rates (sSFRs) compared to cluster galaxies in the local universe, but have sSFRs more than four times lower than that of field ETGs at 1 < z < 1.5. Relative to the late-type cluster population, isolated ETGs show substantially quenched mean SFRs, yet still contribute 12% of the overall star formation activity measured in 1 < z < 1.5 clusters. We find that new ETGs are likely being formed in ISCS clusters; the fraction of cluster galaxies identified as ETGs increases from 34% to 56% from z ∼ 1.5 → 1.25. While the fraction of cluster ETGs that are highly star-forming (SFR ≥ 26 M {sub ☉} yr{sup –1}) drops from 27% to 10% over the same period, their sSFRs are roughly constant. All these factors taken together suggest that, particularly at z ≳ 1.25, the events that created these distant cluster ETGs—likely mergers, at least among the most massive—were both recent and gas-rich.

  20. The phn Genes of Burkholderia sp. Strain RP007 Constitute a Divergent Gene Cluster for Polycyclic Aromatic Hydrocarbon Catabolism

    OpenAIRE

    1999-01-01

    Cloning and molecular ecological studies have underestimated the diversity of polycyclic aromatic hydrocarbon (PAH) catabolic genes by emphasizing classical nah-like (nah, ndo, pah, and dox) sequences. Here we report the description of a divergent set of PAH catabolic genes, the phn genes, which although isofunctional to the classical nah-like genes, show very low homology. This phn locus, which contains nine open reading frames (ORFs), was isolated on an 11.5-kb HindIII fragment from phenant...

  1. High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons: The Realm of Anharmonicity

    Science.gov (United States)

    Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

    2016-01-01

    We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3 micrometers CH stretching region of Polycyclic Aromatic Hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold ((is) approximately 4K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions enhanced with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main modes that fall within 0.5% of the experimental frequencies. The implications for the Aromatic Infrared Bands, specifically the 3-m band are discussed.

  2. HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY

    Energy Technology Data Exchange (ETDEWEB)

    Maltseva, Elena; Buma, Wybren Jan [University of Amsterdam, Science Park 904, 1098 XH Amsterdam (Netherlands); Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Tielens, Alexander G. G. M. [Leiden Observatory, Niels Bohrweg 2, 2333 CA Leiden (Netherlands); Huang, Xinchuan; Lee, Timothy J. [SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Oomens, Jos, E-mail: w.j.buma@uva.nl, E-mail: petrignani@strw.leidenuniv.nl [Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands)

    2015-11-20

    We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3-μm CH stretching region of polycyclic aromatic hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold (∼4 K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main bands that fall within 0.5% of the experimental frequencies. The implications for the aromatic infrared bands, specifically the 3-μm band, are discussed.

  3. Retardation the dewetting dynamics of ultrathin polystyrene films using highly branched aromatic molecules as additives

    Energy Technology Data Exchange (ETDEWEB)

    Pangpaiboon, Nampueng [Research Unit of Advanced Ceramics, Department of Materials Science, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Traiphol, Nisanart, E-mail: Nisanart.T@chula.ac.th [Research Unit of Advanced Ceramics, Department of Materials Science, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Promarak, Vinich [School of Chemistry and Center of Excellence for Innovation in Chemistry, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Traiphol, Rakchart, E-mail: Rakchartt@nu.ac.th [Laboratory of Advanced Polymers and Nanomaterials, Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Naresuan University, Phitsanulok 65000 (Thailand); NANOTEC-MU Excellence Center on Intelligent Materials and Systems, Faculty of Science, Rama 6 Road, Ratchathewi, Bangkok 10400 (Thailand)

    2013-12-02

    This study introduces a new class of materials as a dewetting inhibitor for polystyrene (PS) ultrathin films. Two types of highly branched aromatic (HBA) molecules are added into PS films with thicknesses of 7 nm and 23 nm. Their concentrations range from 0.75 to 5 wt.%. The films are annealed in vacuum oven at elevated temperatures to accelerate dewetting process. Evolution of the film morphologies is followed by utilizing atomic force microscopy and optical microscopy. Contact angle measurements are used to evaluate interfacial interactions in each system. Dewetting area as a function of annealing time and HBA concentration are calculated. We have found that the presence of only 0.5 wt.% HBA can suppress the dewetting dynamics of PS films. Increasing the HBA concentration from 0.5 to 5 wt.% causes systematic decrease of the dewetting rate. In this system, the HBA molecules behave as physical cross-linking points for PS chains, which lead to the improvement of film stability. The efficiency of HBA as a dewetting inhibitor varies with molecular weight of PS while the change of HBA structure hardly affects the dewetting behaviors. - Highlights: • New method for improving stability of polystyrene (PS) thin films • Highly branched aromatic molecules (HBA) are used to suppress the dewetting. • Thermal stability of blended PS/HBA films greatly improves. • The effectiveness of HBA varies with molecular weight of PS. • Important results for designing materials in coating application.

  4. Biotransformation of petroleum asphaltenes and high molecular weight polycyclic aromatic hydrocarbons by Neosartorya fischeri.

    Science.gov (United States)

    Hernández-López, E Lorena; Perezgasga, Lucia; Huerta-Saquero, Alejandro; Mouriño-Pérez, Rosa; Vazquez-Duhalt, Rafael

    2016-06-01

    Neosartorya fischeri, an Aspergillaceae fungus, was evaluated in its capacity to transform high molecular weight polycyclic aromatics hydrocarbons (HMW-PAHs) and the recalcitrant fraction of petroleum, the asphaltenes. N. fischeri was able to grow in these compounds as sole carbon source. Coronene, benzo(g,h,i)perylene, and indeno(1,2,3-c,d)pyrene, together with the asphaltenes, were assayed for fungal biotransformation. The transformation of the asphaltenes and HMW-PAHs was confirmed by reverse-phase high-performance liquid chromatography (HPLC), nano-LC mass spectrometry, and IR spectrometry. The formation of hydroxy and ketones groups on the PAH molecules suggest a biotransformation mediated by monooxygenases such as cytochrome P450 system (CYP). A comparative microarray with the complete genome from N. fischeri showed three CYP monooxygenases and one flavin monooxygenase genes upregulated. These findings, together with the internalization of aromatic substrates into fungal cells and the microsomal transformation of HMW-PAHs, strongly support the role of CYPs in the oxidation of these recalcitrant compounds.

  5. High Frequency Cluster Radio Galaxies: Luminosity Functions and Implications for SZE Selected Cluster Samples

    CERN Document Server

    Gupta, N; Mohr, J J; Benson, B A; Bocquet, S; Carlstrom, J E; Capasso, R; Chiu, I; Crawford, T M; de Haan, T; Dietrich, J P; Gangkofner, C; Holzapfel, W L; McDonald, M; Rapetti, D; Reichardt, C L

    2016-01-01

    We study the overdensity of point sources in the direction of X-ray-selected galaxy clusters from the Meta-Catalog of X-ray detected Clusters of galaxies (MCXC; $\\langle z \\rangle = 0.14$) at South Pole Telescope (SPT) and Sydney University Molonglo Sky Survey (SUMSS) frequencies. Flux densities at 95, 150 and 220 GHz are extracted from the 2500 deg$^2$ SPT-SZ survey maps at the locations of SUMSS sources, producing a multi-frequency catalog of radio galaxies. In the direction of massive galaxy clusters, the radio galaxy flux densities at 95 and 150 GHz are biased low by the cluster Sunyaev-Zel'dovich Effect (SZE) signal, which is negative at these frequencies. We employ a cluster SZE model to remove the expected flux bias and then study these corrected source catalogs. We find that the high frequency radio galaxies are centrally concentrated within the clusters and that their luminosity functions (LFs) exhibit amplitudes that are characteristically an order of magnitude lower than the cluster LF at 843 MHz. ...

  6. High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons: the realm of anharmonicity

    CERN Document Server

    Maltseva, Elena; Candian, Alessandra; Mackie, Cameron J; Huang, Xinchuan; Lee, Timothy J; Tielens, Alexander G G M; Oomens, Jos; Buma, Wybren Jan

    2015-01-01

    We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3 micron CH stretching region of Polycyclic Aromatic Hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold (~4K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions enhanced with a Fermi-resonance treatment that utilises intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination ...

  7. Aromatic poly(arylene ether urea) with high dipole moment for high thermal stability and high energy density capacitors

    Science.gov (United States)

    Cheng, Zhaoxi; Lin, Minren; Wu, Shan; Thakur, Yash; Zhou, Yue; Jeong, Dae-Yong; Shen, Qundong; Zhang, Q. M.

    2015-05-01

    Developing dielectric polymers with higher dielectric constant without sacrificing loss and thermal stability is of great importance for next generation of high energy density capacitors. We show here that by replacing the CH2 group in the aromatic polyurea (ArPU) with the polar ether group, thus raising the dipole moment of the molecular unit, poly(arylene ether urea) (PEEU) shows an increased dielectric constant of 4.7, compared with 4.2 of ArPU. Moreover, PEEU maintains the low dielectric loss and is thermally stable up to 250 °C. As a result, the polymer delivers 13 J/cm3 discharged energy density at room temperature and 9 J/cm3 at 120 °C. The high quality films perform well in terms of both breakdown strength (at 700 MV/m at room temperature) and leakage current from room temperature to elevated temperature. At 120 °C, the breakdown strength is 600 MV/m and the conductivity is 1.58 × 10-14 S/cm measured under 100 MV/m.

  8. Star Formation in High-Redshift Cluster Ellipticals

    CERN Document Server

    Wagner, Cory R; Snyder, Gregory F; Gonzalez, Anthony H; Stanford, S A; Alberts, Stacey; Pope, Alexandra; Stern, Daniel; Zeimann, Gregory R; Chary, Ranga-Ram; Dey, Arjun; Eisenhardt, Peter R M; Mancone, Conor L; Moustakas, John

    2014-01-01

    We measure the star formation rates (SFRs) of massive ($M_{\\star}>10^{10.1}M_{\\odot}$) early-type galaxies (ETGs) in a sample of 11 high-redshift ($1.0 < z < 1.5$) galaxy clusters drawn from the IRAC Shallow Cluster Survey (ISCS). We identify ETGs visually from Hubble Space Telescope imaging and select likely cluster members as having either an appropriate spectroscopic redshift or red sequence color. Mid-infrared SFRs are measured using Spitzer 24 $\\mu$m data for isolated cluster galaxies for which contamination by neighbors, and active galactic nuclei, can be ruled out. Cluster ETGs show enhanced specific star formation rates (sSFRs) compared to cluster galaxies in the local Universe, but have sSFRs more than four times lower than that of field ETGs at $1 < z < 1.5$. Relative to the late-type cluster population, isolated ETGs show substantially quenched mean SFRs, yet still contribute 12% of the overall star formation activity measured in $1 < z < 1.5$ clusters. We find that new ETGs are l...

  9. Formation and Stability of High-Spin Alkali Clusters

    Science.gov (United States)

    Schulz, C. P.; Claas, P.; Schumacher, D.; Stienkemeier, F.

    2004-01-01

    Helium nanodroplet isolation has been applied to agglomerate alkali clusters at temperatures of 380mK. The very weak binding to the surface of the droplets allows a selection of only weakly bound, high-spin states. Here we show that larger clusters of alkali atoms in high-spin states can be formed. The lack of strong bonds from pairing electrons makes these systems nonmetallic, vanderWaals like complexes of metal atoms. We find that sodium and potassium readily form such clusters containing up to 25atoms. In contrast, this process is suppressed for rubidium and cesium. Apparently, for these heavy alkalis, larger high-spin aggregates are not stable and depolarize spontaneously upon cluster formation.

  10. Highly Charged Clusters of Fullerenes: Charge Mobility and Appearance Sizes

    Science.gov (United States)

    Manil, B.; Maunoury, L.; Huber, B. A.; Jensen, J.; Schmidt, H. T.; Zettergren, H.; Cederquist, H.; Tomita, S.; Hvelplund, P.

    2003-11-01

    Clusters of fullerenes (C60,C70)n are produced in a gas aggregation source and are multiply ionized in collisions with highly charged Xe20+,30+ ions. Their stabilities and decay processes are analyzed with high-resolution time-of-flight mass spectrometry. Fullerene clusters in charge states up to q=5 have been observed and appearance sizes are found to be as small as napp=5, 10, 21, and 33 for q=2, 3, 4, and 5, respectively. The analysis of the multicoincident fragmentation spectra indicates a high charge mobility. This is in contrast to charge localization effects which have been reported for Arq+n rare gas clusters. Clusters of fullerenes are found to be conducting when multiply charged.

  11. PrB7(-) : A Praseodymium-Doped Boron Cluster with a Pr(II) Center Coordinated by a Doubly Aromatic Planar η(7) -B7(3-) Ligand.

    Science.gov (United States)

    Chen, Teng-Teng; Li, Wan-Lu; Jian, Tian; Chen, Xin; Li, Jun; Wang, Lai-Sheng

    2017-06-06

    The structure and bonding of a Pr-doped boron cluster (PrB7(-) ) are investigated using photoelectron spectroscopy and quantum chemistry. The adiabatic electron detachment energy of PrB7(-) is found to be low [1.47(8) eV]. A large energy gap is observed between the first and second detachment features, indicating a highly stable neutral PrB7 . Global minimum searches and comparison between experiment and theory show that PrB7(-) has a half-sandwich structure with C6v symmetry. Chemical bonding analyses show that PrB7(-) can be viewed as a Pr(II) [η(7) -B7(3-) ] complex with three unpaired electrons, corresponding to a Pr (4f(2) 6s(1) ) open-shell configuration. Upon detachment of the 6s electron, the neutral PrB7 cluster is a highly stable Pr(III) [η(7) -B7(3-) ] complex with Pr in its favorite +3 oxidation state. The B7(3-) ligand is found to be highly stable and doubly aromatic with six delocalized π and six delocalized σ electrons and should exist for a series of lanthanide M(III) [η(7) -B7(3-) ] complexes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Analysis of Causes Leading to High Bromine Number of C8+Aromatics and Short Clay Service Life and Countermeasures Proposed

    Institute of Scientific and Technical Information of China (English)

    Li Yousong; Ni Xiaoliang; Yan Jun

    2007-01-01

    After comparing the operating status of other catalytic reforming units and evaluation of the side-cut stream tests,the refinery investigated the influence of the feedstock property,clay types,and operating regime of the clay tower and catalytic reforming unit on the service life of the clay.Test results had revealed that the low potential aromatic content of the reformer feed and high operating severity were the critical causes leading to high bromine number of the C8+ aromatics feed for the PX unit and the shortened service life of clay.This article also puts forward the corresponding remedial measures.

  13. HIGH PERFORMANCE PHOTOGRAMMETRIC PROCESSING ON COMPUTER CLUSTERS

    Directory of Open Access Journals (Sweden)

    V. N. Adrov

    2012-07-01

    Full Text Available Most cpu consuming tasks in photogrammetric processing can be done in parallel. The algorithms take independent bits as input and produce independent bits as output. The independence of bits comes from the nature of such algorithms since images, stereopairs or small image blocks parts can be processed independently. Many photogrammetric algorithms are fully automatic and do not require human interference. Photogrammetric workstations can perform tie points measurements, DTM calculations, orthophoto construction, mosaicing and many other service operations in parallel using distributed calculations. Distributed calculations save time reducing several days calculations to several hours calculations. Modern trends in computer technology show the increase of cpu cores in workstations, speed increase in local networks, and as a result dropping the price of the supercomputers or computer clusters that can contain hundreds or even thousands of computing nodes. Common distributed processing in DPW is usually targeted for interactive work with a limited number of cpu cores and is not optimized for centralized administration. The bottleneck of common distributed computing in photogrammetry can be in the limited lan throughput and storage performance, since the processing of huge amounts of large raster images is needed.

  14. A High-Order CFS Algorithm for Clustering Big Data

    Directory of Open Access Journals (Sweden)

    Fanyu Bu

    2016-01-01

    Full Text Available With the development of Internet of Everything such as Internet of Things, Internet of People, and Industrial Internet, big data is being generated. Clustering is a widely used technique for big data analytics and mining. However, most of current algorithms are not effective to cluster heterogeneous data which is prevalent in big data. In this paper, we propose a high-order CFS algorithm (HOCFS to cluster heterogeneous data by combining the CFS clustering algorithm and the dropout deep learning model, whose functionality rests on three pillars: (i an adaptive dropout deep learning model to learn features from each type of data, (ii a feature tensor model to capture the correlations of heterogeneous data, and (iii a tensor distance-based high-order CFS algorithm to cluster heterogeneous data. Furthermore, we verify our proposed algorithm on different datasets, by comparison with other two clustering schemes, that is, HOPCM and CFS. Results confirm the effectiveness of the proposed algorithm in clustering heterogeneous data.

  15. Evolutionary prisoner's dilemma game on highly clustered community networks

    Institute of Scientific and Technical Information of China (English)

    Liu Yong-Kui; Li Zhi; Chen Xiao-Jie; Wang Long

    2009-01-01

    This paper studies the evolutionary prisoner's dilemma game on a highly clustered community network in which the clustering coefficient and the community size can be tuned. It finds that the clustering coefficient in such a degreehomogeneous network inhibits the emergence of cooperation for the entire range of the payoff parameter. Moreover,it finds that the community size can also have a marked influence on the evolution of cooperation, with a larger community size leading to not only a lower cooperation level but also a smaller threshold of the payoff parameter above which cooperators become extinct.

  16. Globular Cluster Streams as Galactic High-Precision Scales

    CERN Document Server

    Küpper, A H W; Bonaca, A; Johnston, K V; Hogg, D W; Kroupa, P; Santiago, B X

    2015-01-01

    Tidal streams of globular clusters are ideal tracers of the Galactic gravitational potential. Compared to the few known, complex and diffuse dwarf-galaxy streams, they are kinematically cold, have thin morphologies and are abundant in the halo of the Milky Way. Their coldness and thinness in combination with potential epicyclic substructure in the vicinity of the stream progenitor turns them into high-precision scales. With the example of Palomar 5, we demonstrate how modeling of a globular cluster stream allows us to simultaneously measure the properties of the disrupting globular cluster, its orbital motion, and the gravitational potential of the Milky Way.

  17. Toxicity assessment of polycyclic aromatic hydrocarbons in sediments from European high mountain lakes.

    Science.gov (United States)

    Quiroz, Roberto; Grimalt, Joan O; Fernández, Pilar

    2010-05-01

    Sediment quality guidelines and toxic equivalent factors have been used for assessment of the toxicity of sedimentary long-range atmospherically transported polycyclic aromatic hydrocarbons (PAHs) to the organisms living in high mountain European lakes. This method has provided indices that are consistent with experimental studies evaluating in situ sedimentary estrogenic activity or physiological response to AhR binding in fish from the same lakes. All examined lakes in north, central, west, northeast and southeast European mountains have shown sedimentary PAH concentrations that are above thresholds of no effect but only those situated in the southeast lakes district exhibited concentrations above the indices of probable effects. These mountains, Tatras, are also those having PAH concentrations of highest activity for AhR binding. Chrysene+triphenylene, dibenz[a]anthracene, benzo[k]fluoranthene and indeno[1,2,3-cd]pyrene are the main compounds responsible for the observed toxic effects. Copyright 2010 Elsevier Inc. All rights reserved.

  18. Thiacalix[4]arene derivatives containing multiple aromatic groups: High efficient extractants for organic dyes

    Indian Academy of Sciences (India)

    Chuang Yang; Zusheng Wang; Hongyu Guo; Ziyu Jiao; Fafu Yang

    2015-08-01

    Click reaction of alkynylthiacalix[4]arene with ethyl 2-azidoacetate, followed by ammonolysis with hydrazine hydrate and Schiff-base condensation with benzaldehyde or salicyic aldehyde, afforded two novel thiacalix[4]arene derivatives containing multiple aromatic groups in yields of 86% and 90%. Their complexation properties for four organic dyes were investigated by liquid-liquid extraction experiments, complexation UV-Vis spectra and mass spectrum. The highest extraction percentage was 97% for Neutral red. The UV- Vis spectra and ESI-MS spectrum indicated the 1:1 complexes in DMSO solution. The association constants were as high as 1∼ 8 × 104 M−1. These complexation experiments showed that thiacalix[4]arene receptors possess excellent complexation capabilities for dyes.

  19. High-pressure liquid chromatographic separation of the naturally occurring toxicants myristicin, related aromatic ethers and falcarinol.

    Science.gov (United States)

    Wulf, L W; Nagel, C W; Branen, A L

    1978-11-21

    The naturally occurring toxicants myristicin, twelve related aromatic ethers and the toxic acetylenic alcohol, falcarinol, were separated from one another by high-pressure liquid chromatography (HPLC). The technique employed a microparticulate nitrile phase column and used heptane and tetrahydrofuran as the eluting solvents. Preparative HPLC with 5-micrometer silica allowed isolation of gram quantities of parsleyapiole and dillapiole from extracts of plain parsley seeds and dill seeds, respectively. Commercially available myristicin as well as other aromatic ethers were also purified in gram quantities with the preparative column.

  20. Spectroscopic Properties of Novel Aromatic Metal Clusters: NaM4 (M=Al, Ga, In) and their Cations and Anions

    Energy Technology Data Exchange (ETDEWEB)

    Balasubramanian, K; Zhao, C

    2004-03-17

    The ground and several excited states of metal aromatic clusters, namely NaM4 and NaM{sub 4}{sup {+-}} (M=Al, Ga, In) clusters have been investigated by employing complete activespace self-consistent-field (CASSCF) followed by Multi-reference singles and doubles configuration interaction (MRSDCI) computations that included up to 10 million configurations and other methods. The ground states NaM{sub 4}{sup -} of aromatic anions are found to be symmetric C{sub 4v} ({sup 1}A{sub 1}) electronic states with ideal square pyramid geometries. While the ground state of NaIn4 is also predicted to be a symmetric C{sub 4v} ({sup 2}A{sub 1}) square pyramid, the ground state of the NaAl4 cluster is found to have a C{sub 2v} ({sup 2}A{sub 1}) pyramid with a rhombus base and the ground state of NaGa{sub 4} possesses a C{sub 2v} ({sup 2}A{sub 1}) pyramid with a rectangle base. In general these structures exhibit 2 competing geometries, viz., an ideal C{sub 4v} structure and a distorted rhomboidal or rectangular pyramid structure (C{sub 2v}). All of the ground states of the NaM{sub 4}{sup +} (M= Al, Ga, In) cations are computed to be C{sub 2v} ({sup 3}A{sub 2}) pyramids with rhombus bases. The equilibrium geometries, vibrational frequencies, dissociation energies, adiabatic ionization potentials, adiabatic electron affinities for the electronic states of NaM{sub 4} (M=Al, Ga, In) and their ions are computed and compared with experimental results and other theoretical calculations. On the basis of our computed excited states energy separations, we have tentatively suggested assignments to the observed X and A states in the anion photoelectron spectra of Al{sub 4}Na{sup -} reported by Li et al. The X state can be assigned to a C{sub 2v} ({sup 2}A{sub 1}) rhomboidal pyramid. The A state observed in the anion spectrum is assigned to the first excited state ({sup 2}B{sub 1}) of the neutral NaAl{sub 4} with the C{sub 4v} symmetry. The assignments of the excited states are consistent with

  1. High-field FT-ICR-MS and aromaticity equivalent approach for structural identification of water soluble organic compounds (WSOC)

    Science.gov (United States)

    Harir, Mourad; Yassine, Mahmoud M.; Dabek-Zlotorzynska, Ewa; Hertkorn, Norbert; Schmitt-Kopplin, Philippe

    2015-04-01

    Organic aerosol (OA) makes up a large and often dominant fraction, (20 to 90%) of the submicron atmospheric particulate mass, and its effects are becoming increasingly important in determining climatic and health effects of atmospheric aerosols. Despite the abundance of OA, our understanding of the sources, formation processes and atmospheric properties of OA is limited. Atmospheric OA has both primary (directly emitted) and secondary (formed in the atmosphere from precursor gases) sources, which can be natural (e.g. vegetation) and/or anthropogenic (e.g. fossil-based vehicle exhaust or biomass burning). A significant fraction of OA contains as much as 20-70% of water soluble organic compounds (WSOC). The WSOC fraction is a very complex mixture of low volatility, polyfunctional aliphatic and aromatic compounds containing carboxyl, alcohol, carbonyl, sulfo, nitro, and other functionalities. This high degree of chemical complexity of atmospheric organics has inspired a number of sophisticated approaches that are capable of identifying and detecting a variety of different analytes in OA. Accordingly, one of the most challenging areas of atmospheric particulate matter (PM) analysis is to comprehend the molecular complexity of the OA, especially WSOC fraction, a significant component of atmospheric fine PM (PM2.5). The sources of WSOC are not well understood, especially the relative contributions of primary vs. secondary organic aerosol. Therefore, the molecular characterization of WSOC is important because it allows gaining insight into aerosol sources and underlying mechanisms of secondary organic aerosols (SOA) formation and transformation. In this abstract, molecular characterization of WSOC was achieved using high-field mass spectrometry FT-ICR-MS and aromaticity equivalent approach. Aromaticity equivalent (Xc), defined recently as a new parameter calculated from the assigned molecular formulas (complementary to the aromaticity index [1]), is introduced to improve

  2. Detection of high risk campylobacteriosis clusters at three geographic levels

    Directory of Open Access Journals (Sweden)

    Jennifer Weisent

    2011-11-01

    Full Text Available Campylobacteriosis is a leading cause of bacterial gastroenteritis in the United States and many other developed countries. Understanding the spatial distribution of this disease and identifying high-risk areas is vital to focus resources for prevention and control measures. In addition, determining the appropriate scale for geographical analysis of surveillance data is an area of concern to epidemiologists and public health officials. The purpose of this study was to (i compare standardized risk estimates for campylobacteriosis in Tennessee over three distinct geographical scales (census tract, zip code and county subdivision, and (ii identify and investigate high-risk spatial clustering of campylobacteriosis at the three geographical scales to determine if clustering is scale dependent. Significant high risk clusters (P <0.05 were detected at all three spatial scales. There were overlaps in regions of high-risk and clusters at all three geographic levels. At the census tract level, spatial analysis identified smaller clusters of finer resolution and detected more clusters than the other two levels. However, data aggregation at zip code or county subdivision yielded similar findings. The importance of this line of research is to create a framework whereby economically efficient disease control strategies become more attainable through improved geographical precision and risk detection. Accurate identification of disease clusters for campylobacteriosis can enable public health personnel to focus scarce resources towards prevention and control programmes on the most at-risk populations. Consistent results at multiple spatial levels highlight the robustness of the geospatial techniques utilized in this study. Furthermore, analyses at the zip code and county subdivision levels can be useful when address level information (finer resolution data are not available. These procedures may also be used to help identify regionally specific risk factors for

  3. Highly selective detection of oil spill polycyclic aromatic hydrocarbons using molecularly imprinted polymers for marine ecosystems.

    Science.gov (United States)

    Krupadam, Reddithota J; Nesterov, Evgueni E; Spivak, David A

    2014-06-15

    Im*plications due to oil spills on marine ecosystems have created a great interest toward developing more efficient and selective materials for oil spill toxins detection and remediation. This research paper highlights the application of highly efficient molecularly imprinted polymer (MIP) adsorbents based on a newly developed functional crosslinker (N,O-bismethacryloyl ethanolamine, NOBE) for detection of highly toxic polycyclic aromatic hydrocarbons (PAHs) in seawater. The binding capacity of MIP for oil spill toxin pyrene is 35 mg/g as compared to the value of 3.65 mg/g obtained using a non-imprinted polymer (NIP). The selectivity of all three high molecular weight PAHs (pyrene, chrysene and benzo[a]pyrene) on the NOBE-MIP shows an excellent selective binding with only 5.5% and 7% cross-reactivity for chrysene and benzo[a]pyrene, respectively. Not only is this particularly significant because the rebinding solvent is water, which is known to promote non-selective hydrophobic interactions; the binding remains comparable under salt-water conditions. These selective and high capacity adsorbents will find wide application in industrial and marine water monitoring/remediation.

  4. Distribution and source apportionment of polycyclic aromatic hydrocarbons in soils and leaves from high-altitude mountains in southwestern china.

    Science.gov (United States)

    Shi, Bingfang; Wu, Qilin; Ouyang, Huixiang; Liu, Xixiang; Ma, Bo; Zuo, Weiyuan; Chen, Shengyu

    2014-11-01

    Several studies have investigated the distribution patterns and geographic sources of polycyclic aromatic hydrocarbons (PAHs) in mountainous areas. Little is known about how different sources contribute to PAH concentrations at different elevations along mountain slopes. To estimate the distribution and sources of PAHs at different altitudes in mountainous areas of southwestern China, samples of soils and leaves from trees were collected from 1000 to 1500 m asl in the Dawangling forest and analyzed for PAHs. Total PAH concentrations ranged from 93.9 to 802.3 ng g (average, 252.3 ng g) in soils and from 4.1 to 100.9 ng g (average, 23.1 ng g) in leaves. Our results suggest that soil PAH levels in the study area could be classified as "weakly contaminated." The PAH levels in leaves from the Dawangling forest were lower than those found in Himalayan spruce needles from the central Himalayas in China and from an agricultural station in southern England. Total PAHs in the Dawangling forest soils increased with elevation, primarily due to the low-molecular-weight PAHs, which accumulated in samples from higher altitudes. In contrast, high-molecular-weight PAHs were inversely related to or unrelated to elevation. The PAH profiles were similar in soils and leaves from all mountainous regions. Diagnostic ratios showed that the PAHs in soils at different altitudes were from different pollution emission sources; therefore, PAHs in the entire study area were probably derived from mixed sources. Cluster analyses confirmed that liquefied petroleum gas, coal/wood combustion, and petroleum combustion were likely the predominant PAH sources in this region.

  5. HIGH-Z X-RAY AGN CLUSTERING & COSMOLOGICAL INFERENCE

    Directory of Open Access Journals (Sweden)

    M. Plionis

    2009-01-01

    Full Text Available We study the angular clustering of X-ray selected active galactic nuclei (AGN in di erent ux-limited sub- samples of the Chandra Deep Field North (CDF-N and South (CDF-S surveys. We nd a strong dependence of the clustering strength on the sub-sample ux-limit, a fact which explains most of the disparate clustering results of di erent XMM and Chandra surveys. At high ux-limits the clustering length increases considerably; for example, at fx;limit 1015 erg s-1 cm-2, we obtain r0 ' 17 5 and 18 3 h-1 Mpc, for the CDF-N and CDF-S, respectively. The ux-limit dependence translates into a luminosity dependent X-ray AGN clustering. Applying the standard formalism relating the theoretical CDM model clustering to the data in a at cosmology (for w =-1 and h = 0:72, we nd: m ' 0:28 0:03 and 8 ' 0:75 0:03; while utilizing also the SN Ia Hubble relation (for 8 = 0:75 and h = 0:72, we nd: m ' 0:26 0:04 and w = 0:9 0:1

  6. High-Yield Process for Selectively Converting CO2 to Aromatics and Olefins Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposed Phase I addresses the selective conversion of CO2 to hydrocarbons via integrated CO2-to-methanol, methanol-to-olefins, and olefins-to-aromatics...

  7. A Cluster in the Making: ALMA Reveals the Initial Conditions for High-mass Cluster Formation

    Science.gov (United States)

    Rathborne, J. M.; Longmore, S. N.; Jackson, J. M.; Alves, J. F.; Bally, J.; Bastian, N.; Contreras, Y.; Foster, J. B.; Garay, G.; Kruijssen, J. M. D.; Testi, L.; Walsh, A. J.

    2015-04-01

    G0.253+0.016 is a molecular clump that appears to be on the verge of forming a high-mass cluster: its extremely low dust temperature, high mass, and high density, combined with its lack of prevalent star formation, make it an excellent candidate for an Arches-like cluster in a very early stage of formation. Here we present new Atacama Large Millimeter/Sub-millimeter Array observations of its small-scale (∼0.07 pc) 3 mm dust continuum and molecular line emission from 17 different species that probe a range of distinct physical and chemical conditions. The data reveal a complex network of emission features with a complicated velocity structure: there is emission on all spatial scales, the morphology of which ranges from small, compact regions to extended, filamentary structures that are seen in both emission and absorption. The dust column density is well traced by molecules with higher excitation energies and critical densities, consistent with a clump that has a denser interior. A statistical analysis supports the idea that turbulence shapes the observed gas structure within G0.253+0.016. We find a clear break in the turbulent power spectrum derived from the optically thin dust continuum emission at a spatial scale of ∼0.1 pc, which may correspond to the spatial scale at which gravity has overcome the thermal pressure. We suggest that G0.253+0.016 is on the verge of forming a cluster from hierarchical, filamentary structures that arise from a highly turbulent medium. Although the stellar distribution within high-mass Arches-like clusters is compact, centrally condensed, and smooth, the observed gas distribution within G0.253+0.016 is extended, with no high-mass central concentration, and has a complex, hierarchical structure. If this clump gives rise to a high-mass cluster and its stars are formed from this initially hierarchical gas structure, then the resulting cluster must evolve into a centrally condensed structure via a dynamical process.

  8. A CLUSTER IN THE MAKING: ALMA REVEALS THE INITIAL CONDITIONS FOR HIGH-MASS CLUSTER FORMATION

    Energy Technology Data Exchange (ETDEWEB)

    Rathborne, J. M.; Contreras, Y. [CSIRO Astronomy and Space Science, P.O. Box 76, Epping NSW, 1710 (Australia); Longmore, S. N.; Bastian, N. [Astrophysics Research Institute, Liverpool John Moores University, 146 Brownlow Hill, Liverpool L3 5RF (United Kingdom); Jackson, J. M. [Institute for Astrophysical Research, Boston University, Boston, MA 02215 (United States); Alves, J. F. [University of Vienna, Türkenschanzstrasse 17, A-1180 Vienna (Austria); Bally, J. [Center for Astrophysics and Space Astronomy, University of Colorado, UCB 389, Boulder, CO 8030 (United States); Foster, J. B. [Department of Astronomy, Yale University, P.O. Box 208101 New Haven, CT 06520-8101 (United States); Garay, G. [Universidad de Chile, Camino El Observatorio1515, Las Condes, Santiago (Chile); Kruijssen, J. M. D. [Max-Planck Institut fur Astrophysik, Karl-Schwarzschild-Strasse 1, D-85748, Garching (Germany); Testi, L. [European Southern Observatory, Karl-Schwarzschild-Str. 2, D-85748 Garching bei Munchen (Germany); Walsh, A. J., E-mail: Jill.Rathborne@csiro.au [International Centre for Radio Astronomy Research, Curtin University, GPO Box U1987, Perth (Australia)

    2015-04-01

    G0.253+0.016 is a molecular clump that appears to be on the verge of forming a high-mass cluster: its extremely low dust temperature, high mass, and high density, combined with its lack of prevalent star formation, make it an excellent candidate for an Arches-like cluster in a very early stage of formation. Here we present new Atacama Large Millimeter/Sub-millimeter Array observations of its small-scale (∼0.07 pc) 3 mm dust continuum and molecular line emission from 17 different species that probe a range of distinct physical and chemical conditions. The data reveal a complex network of emission features with a complicated velocity structure: there is emission on all spatial scales, the morphology of which ranges from small, compact regions to extended, filamentary structures that are seen in both emission and absorption. The dust column density is well traced by molecules with higher excitation energies and critical densities, consistent with a clump that has a denser interior. A statistical analysis supports the idea that turbulence shapes the observed gas structure within G0.253+0.016. We find a clear break in the turbulent power spectrum derived from the optically thin dust continuum emission at a spatial scale of ∼0.1 pc, which may correspond to the spatial scale at which gravity has overcome the thermal pressure. We suggest that G0.253+0.016 is on the verge of forming a cluster from hierarchical, filamentary structures that arise from a highly turbulent medium. Although the stellar distribution within high-mass Arches-like clusters is compact, centrally condensed, and smooth, the observed gas distribution within G0.253+0.016 is extended, with no high-mass central concentration, and has a complex, hierarchical structure. If this clump gives rise to a high-mass cluster and its stars are formed from this initially hierarchical gas structure, then the resulting cluster must evolve into a centrally condensed structure via a dynamical process.

  9. Screening method for the analysis of polycyclic aromatic hydrocarbons by high performance thin layer chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Butler, H.T.

    1983-01-01

    Investigations were carried out to develop a routine analytical method for the determination of the polycyclic aromatic hydrocarbons (PAH) in environmental samples. The method used high performance thin layer chromatography (HPTLC) for the separation of the PAH's. Densitometric measurements using selective fluorescence detection was employed for the quantitative aspects of the method. High performance silica gel, cellulose, acetylated cellulose and reversed-phase plates as the separation media were evaluated. Reversed-phase plates with 60% silanization and solvent system of methanol:water using continuous multiple developments produced the best separation. The method was evaluated using shale oil, air particulate, diesel exhaust particulate and an in-house dust samples. During the course of the studies a characterization of the fluorescence and single wavelength double beam reflectance modes was performed. Based on observations made during the characterization studies, a calibration method employing a single standard solution was developed. The method had an operating range of approximately 0.5 to 20 ng and is suitable as a scouting technique to determine approximate concentrations of unknown samples in HPTLC. A method for expressing the relative fluorescence intensity of the PAH's at a given excitation wavelength was also developed. The emission response ratios (ERR) were useful in approximating interferences and determining optimal wavelength combinations.

  10. Computer-Assisted Drug Design: Genetic Algorithms and Structures of Molecular Clusters of Aromatic Hydrocarbons and Actinomycin D-Deoxyguanosine

    Science.gov (United States)

    Xiao, Yong Liang

    Molecular packing, clustering, and docking computations have been performed by empirical intermolecular energy minimization methods. The main focus of this study is finding a robust global search algorithm to solve intermolecular interaction problems, especially to apply an efficient algorithm to large-scale complex molecular systems such as drug-DNA binding or site selectivity which has increasing importance in drug design and drug discovery. Molecular packing in benzene, naphthalene, and anthracene crystals is analyzed in terms of molecular dimer interaction. Intermolecular energies of the gas dimer molecules are calculated for various intermolecular distances and orientations using empirical potential energy functions. The gas dimers are compared to pairs of molecules extracted from the observed crystal structures. Net atomic charges are obtained by the potential-derived method from 6-31G and 6-31G^{**} level ab initio wavefunctions. A new approach using a genetic algorithm is applied to predict structures of benzene, naphthalene, and anthracene molecular clusters. The computer program GAME (genetic algorithm for minimization of energy) has been developed to obtain the global energy minimum of clusters of dimer, trimer, and tetramer molecules. This test model has been further developed to applications of molecular docking. Docking calculations of deoxyguanosine molecules to actinomycin D were performed successfully to identify the binding sites of the drug molecule, which was revealed by actinomycin D-deoxyguanosine complex from the solved x-ray crystal structure. The comparison between the evolutionary computing method and conventional local optimization methods concluded that genetic algorithms are very competitive when it comes to complex, large-scale optimization. Full power of genetic algorithms can be unveiled in computer-assisted drug design only when the difficulties of including optimized molecular conformation in the algorithm are overcome. These

  11. Spectroscopy of moderately high-redshift RCS-1 clusters

    CERN Document Server

    Gilbank, David G; Blindert, K; Ellingson, E; Gladders, M D; Yee, H K C

    2007-01-01

    We present spectroscopic observations of 11 moderately high-redshift (z~0.7- 1.0) clusters from the first Red-Sequence Cluster Survey (RCS-1). We find excellent agreement between the red-sequence estimated redshift and the spectroscopic redshift, with a scatter of 10% at z>0.7. At the high-redshift end (z>~0.9) of the sample, we find two of the systems selected are projections of pairs of comparably rich systems, with red-sequences too close to discriminate in (R-z') colour. In one of these systems, the two components are close enough to be physically associated. For a subsample of clusters with sufficient spectroscopic members, we examine the correlation between B_gcR (optical richness) and the dynamical mass inferred from the velocity dispersion. We find these measurements to be compatible, within the relatively large uncertainties, with the correlation established at lower redshift for the X-ray selected CNOC1 clusters and also for a lower redshift sample of RCS-1 clusters. Confirmation of this and calibra...

  12. Peripheral collisions of highly charged ions with metal clusters

    Institute of Scientific and Technical Information of China (English)

    Zhang Cheng-Jun; Hu Bi-Tao; Luo Xian-Wen

    2012-01-01

    Within the framework of the dynamical classical over-barrier model,the soft collisions between slow highly charged ions(SHCIs)Ar17+ and the large copper clusters under large impact parameters have been studied in this paper.We present the dominant mechanism of the electron transfer between SHCls and a large metal cluster by computational simulation.The evolution of the occupation of projectile ions,KLχ satellite lines,X-ray yields,Auger electron spectrum and scattering angles are provided.

  13. Tailoring highly conductive graphene nanoribbons from small polycyclic aromatic hydrocarbons: a computational study

    KAUST Repository

    Bilić, A

    2013-06-14

    Pyrene, the smallest two-dimensional mesh of aromatic rings, with various terminal thiol substitutions, has been considered as a potential molecular interconnect. Charge transport through two terminal devices has been modeled using density functional theory (with and without self interaction correction) and the non-equilibrium Green\\'s function method. A tetra-substituted pyrene, with dual thiol terminal groups at opposite ends, has been identified as an excellent candidate, owing to its high conductance, virtually independent of bias voltage. The two possible extensions of its motif generate two series of graphene nanoribbons, with zigzag and armchair edges and with semimetallic and semiconducting electron band structure, respectively. The effects related to the wire length and the bias voltage on the charge transport have been investigated for both sets. The conductance of the nanoribbons with a zigzag edge does not show either length or voltage dependence, owing to an almost perfect electron transmission with a continuum of conducting channels. In contrast, for the armchair nanoribbons a slow exponential attenuation of the conductance with the length has been found, due to their semiconducting nature. © 2013 IOP Publishing Ltd.

  14. The highly conserved Escherichia coli transcription factor YhaJ regulates aromatic compound degradation

    Directory of Open Access Journals (Sweden)

    Noa Palevsky

    2016-09-01

    Full Text Available The aromatic compound 2,4-dinitrotoluene (DNT, a common impurity in 2,4,6-trinitrotoluene (TNT production, has been suggested as a tracer for the presence of TNT-based landmines due to its stability and high volatility. We have previously described an Escherichia coli bioreporter capable of detecting the presence of DNT vapors, harboring a fusion of the yqjF gene promoter, to a reporter element. However, the DNT metabolite, which is the direct inducer of yqjF, has not yet been identified, nor has the regulatory mechanism of the induction been clarified. We demonstrate here that the YhaJ protein, a member of the LysR type family, acts as a transcriptional regulator of yqjF activation, as well as of a panel of additional E. coli genes. This group of genes share a common sequence motif in their promoters, which is suggested here as a putative YhaJ-box. In addition, we have linked YhaJ to the regulation of quinol-like compound degradation in the cell, and identified yhaK as playing a role in the degradation of DNT.

  15. Advances in the field of high-molecular-weight polycyclic aromatic hydrocarbon biodegradation by bacteria.

    Science.gov (United States)

    Kanaly, Robert A; Harayama, Shigeaki

    2010-03-01

    Interest in understanding prokaryotic biotransformation of high-molecular-weight polycyclic aromatic hydrocarbons (HMW PAHs) has continued to grow and the scientific literature shows that studies in this field are originating from research groups from many different locations throughout the world. In the last 10 years, research in regard to HMW PAH biodegradation by bacteria has been further advanced through the documentation of new isolates that represent diverse bacterial types that have been isolated from different environments and that possess different metabolic capabilities. This has occurred in addition to the continuation of in-depth comprehensive characterizations of previously isolated organisms, such as Mycobacterium vanbaalenii PYR-1. New metabolites derived from prokaryotic biodegradation of four- and five-ring PAHs have been characterized, our knowledge of the enzymes involved in these transformations has been advanced and HMW PAH biodegradation pathways have been further developed, expanded upon and refined. At the same time, investigation of prokaryotic consortia has furthered our understanding of the capabilities of microorganisms functioning as communities during HMW PAH biodegradation.

  16. Separation of Aliphatic and Aromatic Carboxylic Acids by Conventional and Ultra High Performance Ion Exclusion Chromatography.

    Science.gov (United States)

    Mansour, Fotouh R; Kirkpatrick, Christine L; Danielson, Neil D

    2013-06-01

    An ion exclusion chromatography (IELC) comparison between a conventional ion exchange column and an ultra-high performance liquid chromatography (UHPLC) dynamically surfactant modified C18 column for the separation of an aliphatic carboxylic acid and two aromatic carboxylic acids is presented. Professional software is used to optimize the conventional IELC separation conditions for acetylsalicylic acid and the hydrolysis products: salicylic acid and acetic acid. Four different variables are simultaneously optimized including H2SO4 concentration, pH, flow rate, and sample injection volume. Thirty different runs are suggested by the software. The resolutions and the time of each run are calculated and feed back to the software to predict the optimum conditions. Derringer's desirability functions are used to evaluate the test conditions and those with the highest desirability value are utilized to separate acetylsalicylic acid, salicylic acid, and acetic acid. These conditions include using a 0.35 mM H2SO4 (pH 3.93) eluent at a flow rate of 1 mL min(-1) and an injection volume of 72 μL. To decrease the run time and improve the performance, a UHPLC C18 column is used after dynamic modification with sodium dodecyl sulfate. Using pure water as a mobile phase, a shorter analysis time and better resolution are achieved. In addition, the elution order is different from the IELC method which indicates the contribution of the reversed-phase mode to the separation mechanism.

  17. NGC 1252: a high altitude, metal poor open cluster remnant

    CERN Document Server

    Marcos, R de la Fuente; Bidin, C Moni; Carraro, G; Costa, E

    2013-01-01

    If stars form in clusters but most stars belong to the field, understanding the details of the transition from the former to the latter is imperative to explain the observational properties of the field. Aging open clusters are one of the sources of field stars. The disruption rate of open clusters slows down with age but, as an object gets older, the distinction between the remaining cluster or open cluster remnant (OCR) and the surrounding field becomes less and less obvious. As a result, finding good OCR candidates or confirming the OCR nature of some of the best candidates still remain elusive. One of these objects is NGC 1252, a scattered group of about 20 stars in Horologium. Here we use new wide-field photometry in the UBVI pass-bands, proper motions from the Yale/San Juan SPM 4.0 catalogue, and high resolution spectroscopy concurrently with results from N-body simulations to decypher NGC 1252's enigmatic character. Spectroscopy shows that most of the brightest stars in the studied area are chemically,...

  18. Boron Clusters as Highly Stable Magnesium-Battery Electrolytes**

    Science.gov (United States)

    Carter, Tyler J; Mohtadi, Rana; Arthur, Timothy S; Mizuno, Fuminori; Zhang, Ruigang; Shirai, Soichi; Kampf, Jeff W

    2014-01-01

    Boron clusters are proposed as a new concept for the design of magnesium-battery electrolytes that are magnesium-battery-compatible, highly stable, and noncorrosive. A novel carborane-based electrolyte incorporating an unprecedented magnesium-centered complex anion is reported and shown to perform well as a magnesium-battery electrolyte. This finding opens a new approach towards the design of electrolytes whose likelihood of meeting the challenging design targets for magnesium-battery electrolytes is very high. PMID:24519845

  19. PrB{sub 7}{sup -}. A praseodymium-doped boron cluster with a Pr{sup II} center coordinated by a doubly aromatic planar η{sup 7}-B{sub 7}{sup 3-} ligand

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Teng-Teng; Jian, Tian; Wang, Lai-Sheng [Department of Chemistry, Brown University, Providence, RI (United States); Li, Wan-Lu; Chen, Xin; Li, Jun [Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing (China)

    2017-06-06

    The structure and bonding of a Pr-doped boron cluster (PrB{sub 7}{sup -}) are investigated using photoelectron spectroscopy and quantum chemistry. The adiabatic electron detachment energy of PrB{sub 7}{sup -} is found to be low [1.47(8) eV]. A large energy gap is observed between the first and second detachment features, indicating a highly stable neutral PrB{sub 7}. Global minimum searches and comparison between experiment and theory show that PrB{sub 7}{sup -} has a half-sandwich structure with C{sub 6v} symmetry. Chemical bonding analyses show that PrB{sub 7}{sup -} can be viewed as a Pr{sup II}[η{sup 7}-B{sub 7}{sup 3-}] complex with three unpaired electrons, corresponding to a Pr (4f{sup 2}6s{sup 1}) open-shell configuration. Upon detachment of the 6s electron, the neutral PrB{sub 7} cluster is a highly stable Pr{sup III}[η{sup 7}-B{sub 7}{sup 3-}] complex with Pr in its favorite +3 oxidation state. The B{sub 7}{sup 3-} ligand is found to be highly stable and doubly aromatic with six delocalized π and six delocalized σ electrons and should exist for a series of lanthanide M{sup III}[η{sup 7}-B{sub 7}{sup 3-}] complexes. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Large pi-aromatic molecules as potential sensitizers for highly efficient dye-sensitized solar cells.

    Science.gov (United States)

    Imahori, Hiroshi; Umeyama, Tomokazu; Ito, Seigo

    2009-11-17

    Recently, dye-sensitized solar cells have attracted much attention relevant to global environmental issues. Thus far, ruthenium(II) bipyridyl complexes have proven to be the most efficient TiO(2) sensitizers in dye-sensitized solar cells. However, a gradual increment in the highest power conversion efficiency has been recognized in the past decade. More importantly, considering that ruthenium is a rare metal, novel dyes without metal or using inexpensive metal are desirable for highly efficient dye-sensitized solar cells. Large pi-aromatic molecules, such as porphyrins, phthalocyanines, and perylenes, are important classes of potential sensitizers for highly efficient dye-sensitized solar cells, owing to their photostability and high light-harvesting capabilities that can allow applications in thinner, low-cost dye-sensitized solar cells. Porphyrins possess an intense Soret band at 400 nm and moderate Q bands at 600 nm. Nevertheless, the poor light-harvesting properties relative to the ruthenium complexes have limited the cell performance of porphyrin-sensitized TiO(2) cells. Elongation of the pi conjugation and loss of symmetry in porphyrins cause broadening and a red shift of the absorption bands together with an increasing intensity of the Q bands relative to that of the Soret band. On the basis of the strategy, the cell performance of porphyrin-sensitized solar cells has been improved intensively by the enhanced light absorption. Actually, some push-pull-type porphyrins have disclosed a remarkably high power conversion efficiency (6-7%) that was close to that of the ruthenium complexes. Phthalocyanines exhibit strong absorption around 300 and 700 nm and redox features that are similar to porphyrins. Moreover, phthalocyanines are transparent over a large region of the visible spectrum, thereby enabling the possibility of using them as "photovoltaic windows". However, the cell performance was poor, owing to strong aggregation and lack of directionality in the

  1. Cluster size dependence of high-order harmonic generation

    CERN Document Server

    Tao, Y; Bastiaens, H M J; van der Slot, P J M; Biedron, S G; Milton, S V; Boller, K -J

    2016-01-01

    We investigate high-order harmonic generation (HHG) from noble gas clusters in a supersonic gas jet. To identify the contribution of harmonic generation from clusters versus that from gas monomers, we measure the high-order harmonic output over a broad range of the total atomic number density in the jet (from 3x10^{16} cm^{-3} to 3x10^{18} cm^{-3}) at two different reservoir temperatures (303 K and 363 K). For the first time in the evaluation of the harmonic yield in such measurements, the variation of the liquid mass fraction, g, versus pressure and temperature is taken into consideration, which we determine, reliably and consistently, to be below 20% within our range of experimental parameters. Based on measurements with a thin jet where significant variations in reabsorption and the phase matching conditions can be neglected, we conclude that atoms in the form of small clusters (average cluster size < 1000 atoms) provide the same higher-order nonlinear response as single-atoms. This implies that HHG in ...

  2. Biofilm and Planktonic Bacterial and Fungal Communities Transforming High-Molecular-Weight Polycyclic Aromatic Hydrocarbons.

    Science.gov (United States)

    Folwell, Benjamin D; McGenity, Terry J; Whitby, Corinne

    2016-04-01

    High-molecular-weight polycyclic aromatic hydrocarbons (HMW-PAHs) are natural components of fossil fuels that are carcinogenic and persistent in the environment, particularly in oil sands process-affected water (OSPW). Their hydrophobicity and tendency to adsorb to organic matter result in low bioavailability and high recalcitrance to degradation. Despite the importance of microbes for environmental remediation, little is known about those involved in HMW-PAH transformations. Here, we investigated the transformation of HMW-PAHs using samples of OSPW and compared the bacterial and fungal community compositions attached to hydrophobic filters and in suspension. It was anticipated that the hydrophobic filters with sorbed HMW-PAHs would select for microbes that specialize in adhesion. Over 33 days, more pyrene was removed (75% ± 11.7%) than the five-ring PAHs benzo[a]pyrene (44% ± 13.6%) and benzo[b]fluoranthene (41% ± 12.6%). For both bacteria and fungi, the addition of PAHs led to a shift in community composition, but thereafter the major factor determining the fungal community composition was whether it was in the planktonic phase or attached to filters. In contrast, the major determinant of the bacterial community composition was the nature of the PAH serving as the carbon source. The main bacteria enriched by HMW-PAHs were Pseudomonas, Bacillus, and Microbacterium species. This report demonstrates that OSPW harbors microbial communities with the capacity to transform HMW-PAHs. Furthermore, the provision of suitable surfaces that encourage PAH sorption and microbial adhesion select for different fungal and bacterial species with the potential for HMW-PAH degradation.

  3. High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3-micrometers Region: Role of Periphery

    Science.gov (United States)

    Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

    2017-01-01

    In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3-micrometers absorption band. To this purpose we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 per cm range. The experimental spectra are compared with standard harmonic calculations, and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3-micrometers region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive dataset of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly-condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3-micrometers band, and on features such as the two-component emission character of this band and the 3-micrometers emission plateau.

  4. High-resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3 μm Region: Role of Periphery

    Science.gov (United States)

    Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

    2016-11-01

    In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3 μm absorption band. For this purpose, we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 cm-1 range. The experimental spectra are compared with standard harmonic calculations and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3 μm region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive data set of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3 μm band, and on features such as the two-component emission character of this band and the 3 μm emission plateau.

  5. Determination of Polycyclic Aromatic Hydrocarbons in Automobile Exhaust by Means of High-Performance Liquid Chromatography with Fluorescence Detection

    DEFF Research Database (Denmark)

    Nielsen, Tom

    1979-01-01

    A chromatographic method has been developed and applied to the determination of polycyclic aromatic hydrocarbons (PAHs) in particulate matter in automobile exhaust, in petrols, and in crankcase oils. The PAHs were purified from other organic compounds by thin-layer chromatography, separated by high......-performance liquid chromatography, and measured by means of on-line fluorescence detection. The identities of the PAHs were verified by comparing the emission spectra obtained by a stop-flow technique with those of standard PAHs...

  6. Electron attachment to oxygen clusters studied with high energy resolution

    Science.gov (United States)

    Matejcik, S.; Stampfli, P.; Stamatovic, A.; Scheier, P.; Märk, T. D.

    1999-08-01

    Highly monochromatized electrons (with energy distributions of less than 30 meV FWHM) are used in a crossed beam experiments to investigate electron attachment to oxygen clusters (O2)n at electron energies from approximately zero eV up to several eV. At energies close to zero the attachment cross section for the reaction (O2)n+e→(O2)m- (for m=1, 2, and 3) rises strongly with decreasing electron energy compatible with s-wave electron capture to (O2)n. Peaks in the oxygen attachment cross sections present at higher energies (≈80 meV, 193 meV, 302 meV) can be ascribed to vibrational levels of the anion populated by attachment of an electron to a single oxygen molecule within the target cluster via a direct Franck-Condon transition from the ground vibrational state v=0 to a vibrational excited state v'=7,8,9,… of the anion produced. The vibrational structures observed here for the first time can be quantitatively accounted for by model calculations using a microscopic model to examine the attachment of an electron to an oxygen molecule inside a cluster. This involves (i) molecular dynamics simulations to calculate the structure of neutral clusters prior to the attachment process and (ii) calculation of the solvation energy of an oxygen anion in the cluster from the electrostatic polarization of the molecules of the cluster. The occurrence of this polarization energy at the surface of larger clusters explains the appearance of an s-wave capturing cross section at 0 eV and the slightly smaller spacings (compared to the monomer case) between the peaks at finite energy, as observed experimentally. The relative transition probabilities from the ground state of the neutral oxygen molecule to the different vibrational levels of the anion are obtained by calculating the corresponding Franck-Condon factors thereby resulting in a reasonable theoretical fit to the observed yields of negatively charged oxygen molecules and clusters.

  7. Predicting accurate fluorescent spectra for high molecular weight polycyclic aromatic hydrocarbons using density functional theory

    Science.gov (United States)

    Powell, Jacob; Heider, Emily C.; Campiglia, Andres; Harper, James K.

    2016-10-01

    The ability of density functional theory (DFT) methods to predict accurate fluorescence spectra for polycyclic aromatic hydrocarbons (PAHs) is explored. Two methods, PBE0 and CAM-B3LYP, are evaluated both in the gas phase and in solution. Spectra for several of the most toxic PAHs are predicted and compared to experiment, including three isomers of C24H14 and a PAH containing heteroatoms. Unusually high-resolution experimental spectra are obtained for comparison by analyzing each PAH at 4.2 K in an n-alkane matrix. All theoretical spectra visually conform to the profiles of the experimental data but are systematically offset by a small amount. Specifically, when solvent is included the PBE0 functional overestimates peaks by 16.1 ± 6.6 nm while CAM-B3LYP underestimates the same transitions by 14.5 ± 7.6 nm. These calculated spectra can be empirically corrected to decrease the uncertainties to 6.5 ± 5.1 and 5.7 ± 5.1 nm for the PBE0 and CAM-B3LYP methods, respectively. A comparison of computed spectra in the gas phase indicates that the inclusion of n-octane shifts peaks by +11 nm on average and this change is roughly equivalent for PBE0 and CAM-B3LYP. An automated approach for comparing spectra is also described that minimizes residuals between a given theoretical spectrum and all available experimental spectra. This approach identifies the correct spectrum in all cases and excludes approximately 80% of the incorrect spectra, demonstrating that an automated search of theoretical libraries of spectra may eventually become feasible.

  8. High Radio Frequency Properties and Variability of Brightest Cluster Galaxies

    CERN Document Server

    Hogan, M T; Geach, J E; Grainge, K J B; Hlavacek-Larrondo, J; Hovatta, T; Karim, A; McNamara, B R; Rumsey, C; Russell, H R; Salomé, P; Aller, H D; Aller, M F; Benford, D J; Fabian, A C; Readhead, A C S; Sadler, E M; Saunders, R D E

    2015-01-01

    We consider the high radio frequency (15 GHz - 353 GHz) properties and variability of 35 Brightest Cluster Galaxies (BCGs). These are the most core-dominated sources drawn from a parent sample of more than 700 X-ray selected clusters, thus allowing us to relate our results to the general population. We find that >6.0% of our parent sample (>15.1% if only cool-core clusters are considered) contain a radio-source at 150 GHz of at least 3mJy (~1x10^23 W/Hz at our median redshift of z~0.13). Furthermore, >3.4% of the BCGs in our parent sample contain a peaked component (Gigahertz Peaked Spectrum, GPS) in their spectra that peaks above 2 GHz, increasing to >8.5% if only cool-core clusters are considered. We see little evidence for strong variability at 15 GHz on short (week-month) time-scales although we see variations greater than 20% at 150 GHz over 6-month times-frames for 4 of the 23 sources with multi-epoch observations. Much more prevalent is long-term (year-decade time-scale) variability, with average annua...

  9. A Framework for Evaluation and Exploration of Clustering Algorithms in Subspaces of High Dimensional Databases

    DEFF Research Database (Denmark)

    Müller, Emmanuel; Assent, Ira; Günnemann, Stephan

    2011-01-01

    In high dimensional databases, traditional full space clustering methods are known to fail due to the curse of dimensionality. Thus, in recent years, subspace clustering and projected clustering approaches were proposed for clustering in high dimensional spaces. As the area is rather young, few c...

  10. Effects of High-Quality Aromatic Rice Varieties on the Fitness of the Striped Stem Borer, Chilo suppressalis (Walker) in Central China

    Institute of Scientific and Technical Information of China (English)

    DU Xue-zhu; WANG Yong; CHEN Long-jia; PENG Chuan-hua; MA Wei-hua; LEI Chao-liang

    2013-01-01

    The striped stem borer (SSB), Chilo suppressalis (Walker) (Lepidoptera: Pyralidae), is a major pest of rice in China. Variation in host-plant quality may affect the body size of herbivorous insects, which in turn, can determine their life-history parameters such as survival, fecundity and fitness. In this study, we tested the effects of high-quality aromatic rice varieties on the fitness of SSB in China. Results showed that 1st instar larvae had higher penetrating rates and survival rates on the high-quality aromatic rice varieties (EX-1 and WX-988) than that on the non-aromatic rice varieties (EZ-5 and LYP-9). In addition, shorter developmental periods, greater female pupal weights and higher of other life-history parameters (hatching rate, pupation rate, eclosion rate and increase index) were found on the high-quality aromatic rice varieties, although only female pupal weight showed a significant difference between the two varieties. The highest dead heart rate was found on the aromatic rice variety of EX-1. These results indicate that SSB sustains a lower fitness cost when consuming the high-quality aromatic rice varieties (EX-1 and WX-988) than on the non-aromatic rice varieties (EZ-5 and LYP-9) in Central China.

  11. Highly selective methodology for the direct conversion of aromatic aldehydes to glycol monoesters.

    Science.gov (United States)

    Sharghi, Hashem; Sarvari, Mona Hosseini

    2003-05-16

    Al(2)O(3)/MeSO(3)H (AMA) was found to be an extremely efficient reagent for the conversion of aromatic aldehydes and diols to glycol monoesters. The remarkable selectivity achieved with this reagent is an attractive feature of the present method.

  12. Xinxiangyou 77,a High-yielding and Fine-quality Semi-aromatic Hybrid Rice

    Institute of Scientific and Technical Information of China (English)

    周坤炉; 廖伏明

    2004-01-01

    Xinxiangyou 77 was developed at HHRRC using aromatie cytoplasmic male sterile line Xingxiang A and nonaromatic restorer line Minghui 77. It was extensively tested and approved for release to farmers by the Hunan Provincial Crop Variety Release Committee in February,1997. Xingxiang A, improved from the first aromatic

  13. Efficient Construction of High-Dimensional Cluster State

    Institute of Scientific and Technical Information of China (English)

    DIAO Da-Sheng; ZHANG Yong-Sheng; ZHOU Xiang-Fa; GUO Guang-Can

    2008-01-01

    We present a scheme for effciently constructing high-dimensional cluster state using probabilistic entangling quantum gates. It is shown that the required computational overhead scales effciently both with 1/P and n even if all the entangling quantum gates only succeed with an arbitrary small probability, where p is the success probability of the entangling quantum gate and n is the number of qubits in the computation.

  14. Boron Clusters as Highly Stable Magnesium-Battery Electrolytes**

    OpenAIRE

    Carter, Tyler J; Mohtadi, Rana; Arthur, Timothy S.; Mizuno, Fuminori; Zhang, Ruigang; Shirai, Soichi; Kampf, Jeff W.

    2014-01-01

    Boron clusters are proposed as a new concept for the design of magnesium-battery electrolytes that are magnesium-battery-compatible, highly stable, and noncorrosive. A novel carborane-based electrolyte incorporating an unprecedented magnesium-centered complex anion is reported and shown to perform well as a magnesium-battery electrolyte. This finding opens a new approach towards the design of electrolytes whose likelihood of meeting the challenging design targets for magnesium-battery electro...

  15. High Speed White Dwarf Asteroseismology with the Herty Hall Cluster

    Science.gov (United States)

    Gray, Aaron; Kim, A.

    2012-01-01

    Asteroseismology is the process of using observed oscillations of stars to infer their interior structure. In high speed asteroseismology, we complete that by quickly computing hundreds of thousands of models to match the observed period spectra. Each model on a single processor takes five to ten seconds to run. Therefore, we use a cluster of sixteen Dell Workstations with dual-core processors. The computers use the Ubuntu operating system and Apache Hadoop software to manage workloads.

  16. Phase I and phase II reductive metabolism simulation of nitro aromatic xenobiotics with electrochemistry coupled with high resolution mass spectrometry.

    Science.gov (United States)

    Bussy, Ugo; Chung-Davidson, Yu-Wen; Li, Ke; Li, Weiming

    2014-11-01

    Electrochemistry combined with (liquid chromatography) high resolution mass spectrometry was used to simulate the general reductive metabolism of three biologically important nitro aromatic molecules: 3-trifluoromethyl-4-nitrophenol (TFM), niclosamide, and nilutamide. TFM is a pesticide used in the Laurential Great Lakes while niclosamide and nilutamide are used in cancer therapy. At first, a flow-through electrochemical cell was directly connected to a high resolution mass spectrometer to evaluate the ability of electrochemistry to produce the main reduction metabolites of nitro aromatic, nitroso, hydroxylamine, and amine functional groups. Electrochemical experiments were then carried out at a constant potential of -2.5 V before analysis of the reduction products by LC-HRMS, which confirmed the presence of the nitroso, hydroxylamine, and amine species as well as dimers. Dimer identification illustrates the reactivity of the nitroso species with amine and hydroxylamine species. To investigate xenobiotic metabolism, the reactivity of nitroso species to biomolecules was also examined. Binding of the nitroso metabolite to glutathione was demonstrated by the observation of adducts by LC-ESI(+)-HRMS and the characteristics of their MSMS fragmentation. In conclusion, electrochemistry produces the main reductive metabolites of nitro aromatics and supports the observation of nitroso reactivity through dimer or glutathione adduct formation.

  17. EXPERIMENTAL EVIDENCE FOR THE FORMATION OF HIGHLY SUPERHYDROGENATED POLYCYCLIC AROMATIC HYDROCARBONS THROUGH H ATOM ADDITION AND THEIR CATALYTIC ROLE IN H2 FORMATION

    DEFF Research Database (Denmark)

    Thrower, John; Jørgensen, Bjarke; Friis, Emil Enderup;

    2012-01-01

    Mass spectrometry measurements show the formation of highly superhydrogenated derivatives of the polycyclic aromatic hydrocarbon molecule coronene through H atom addition reactions. The observed product mass distribution provides evidence also for abstraction reactions resulting in H2 formation...

  18. Boron clusters as highly stable magnesium-battery electrolytes.

    Science.gov (United States)

    Carter, Tyler J; Mohtadi, Rana; Arthur, Timothy S; Mizuno, Fuminori; Zhang, Ruigang; Shirai, Soichi; Kampf, Jeff W

    2014-03-17

    Boron clusters are proposed as a new concept for the design of magnesium-battery electrolytes that are magnesium-battery-compatible, highly stable, and noncorrosive. A novel carborane-based electrolyte incorporating an unprecedented magnesium-centered complex anion is reported and shown to perform well as a magnesium-battery electrolyte. This finding opens a new approach towards the design of electrolytes whose likelihood of meeting the challenging design targets for magnesium-battery electrolytes is very high. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Protein Quantification by Derivatization-Free High-Performance Liquid Chromatography of Aromatic Amino Acids

    Science.gov (United States)

    Hesse, Almut

    2016-01-01

    Amino acid analysis is considered to be the gold standard for quantitative peptide and protein analysis. Here, we would like to propose a simple HPLC/UV method based on a reversed-phase separation of the aromatic amino acids tyrosine (Tyr), phenylalanine (Phe), and optionally tryptophan (Trp) without any derivatization. The hydrolysis of the proteins and peptides was performed by an accelerated microwave technique, which needs only 30 minutes. Two internal standard compounds, homotyrosine (HTyr) and 4-fluorophenylalanine (FPhe) were used for calibration. The limit of detection (LOD) was estimated to be 0.05 µM (~10 µg/L) for tyrosine and phenylalanine at 215 nm. The LOD for a protein determination was calculated to be below 16 mg/L (~300 ng BSA absolute). Aromatic amino acid analysis (AAAA) offers excellent accuracy and a precision of about 5% relative standard deviation, including the hydrolysis step. The method was validated with certified reference materials (CRM) of amino acids and of a pure protein (bovine serum albumin, BSA). AAAA can be used for the quantification of aromatic amino acids, isolated peptides or proteins, complex peptide or protein samples, such as serum or milk powder, and peptides or proteins immobilized on solid supports. PMID:27559481

  20. Screening cluster A and cluster B personality disorders in Chinese high school students.

    Science.gov (United States)

    Wang, Yuping; Zhu, Xiongzhao; Cai, Lin; Wang, Qin; Wang, Mengcheng; Yi, Jinyao; Yao, Shuqiao

    2013-04-17

    Personality disorders (PDs) during adolescence may, in addition to increasing risk for violent behaviors and suicide, also increase risk for elevated PD traits in adulthood. The aim of this study was to explore the prevalence of Cluster A and Cluster B PD traits and their relationships to demographic variables in Chinese high school students. A cohort of 3,552 students from eight high schools completed the Personality Diagnostic Questionnaire-4+ (PDQ-4+) and MacArthur Scale of Subjective Social Status-youth version (SSSy) questionnaires. Boys scored higher than girls on the paranoid, schizotypal, antisocial, and narcissistic PDs. Freshmen and sophomores scored higher than juniors on schizoid, borderline, and antisocial PDs. Children in single-child families scored higher than nonsingletons on the paranoid and antisocial PDs. Students from single-parent households scored higher than students from double-parent households on the schizotypal and antisocial PDs, and students with remarried parents scored higher than students from double-parent households on the borderline and antisocial PDs. Students who had low perception of social status in the society ladder scored higher than those with a high perceived status on the schizoid and borderline PDs, but scored lower on the histrionic PD; students with a low subjective social status in the school community ladder scored higher scores than those with a high perceived status on the paranoid, schizoid, borderline, and antisocial PDs, but scored lower on the histrionic PD. Gender, grade, family structure, and subjective social status may affect the development of PDs. Longitudinal studies and studies of the full scope of PDs are needed to fully elucidate the impact of demographic variables on PD prevalence rates in adolescence and adulthood.

  1. Impact of using fishing boat fuel with high poly aromatic content on the emission of polycyclic aromatic hydrocarbons from the diesel engine

    Science.gov (United States)

    Lin, Yuan-Chung; Lee, Wen-Jhy; Li, Hsing-Wang; Chen, Chung-Ban; Fang, Guor-Cheng; Tsai, Perng-Jy

    Because of the fishery subsidy policy, the fishing boat fuel oil (FBFO) exemption from commodity taxes, business taxes and air pollution control fees, resulted in the price of FBFO was ˜50% lower than premium diesel fuel (PDF) in Taiwan. It is estimated that ˜650,000 kL FBFO was illegally used by traveling diesel-vehicles (TDVs) with a heavy-duty diesel engine (HDDE), which accounted for ˜16.3% of the total diesel fuel consumed by TDVs. In this study, sulfur, poly aromatic and total-aromatic contents in both FBFO and PDF were measured and compared. Exhaust emissions of polycyclic aromatic hydrocarbons (PAHs) and their carcinogenic potencies (BaP eq) from a HDDE under transient cycle testing for both FBFO and PDF were compared and discussed. Finally, the impact caused by the illegal use of FBFO on the air quality was examined. Results show that the mean sulfur-, poly aromatic and aromatic-contents in FBFO were 43.0, 3.89 and 1.04 times higher than that of PDF, respectively. Emission factors of total-PAHs and total-BaP eq obtained by utilizing FBFO were 51.5 and 0.235 mg L -1-Fuel, which were 3.41 and 5.82 times in magnitude higher than obtained by PDF, respectively. The estimated annual emissions of total-PAHs and total-BaP eq to the ambient environment due to the illegally used FBFO were 23.6 and 0.126 metric tons, respectively, which resulted in a 17.9% and a 25.0% increment of annual emissions from all mobile sources, respectively. These results indicated that the FBFO used illegally by TDVs had a significant impact on PAH emissions to the ambient environment.

  2. Cluster-cluster clustering

    Science.gov (United States)

    Barnes, J.; Dekel, A.; Efstathiou, G.; Frenk, C. S.

    1985-01-01

    The cluster correlation function xi sub c(r) is compared with the particle correlation function, xi(r) in cosmological N-body simulations with a wide range of initial conditions. The experiments include scale-free initial conditions, pancake models with a coherence length in the initial density field, and hybrid models. Three N-body techniques and two cluster-finding algorithms are used. In scale-free models with white noise initial conditions, xi sub c and xi are essentially identical. In scale-free models with more power on large scales, it is found that the amplitude of xi sub c increases with cluster richness; in this case the clusters give a biased estimate of the particle correlations. In the pancake and hybrid models (with n = 0 or 1), xi sub c is steeper than xi, but the cluster correlation length exceeds that of the points by less than a factor of 2, independent of cluster richness. Thus the high amplitude of xi sub c found in studies of rich clusters of galaxies is inconsistent with white noise and pancake models and may indicate a primordial fluctuation spectrum with substantial power on large scales.

  3. Cluster-cluster clustering

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, J.; Dekel, A.; Efstathiou, G.; Frenk, C.S.

    1985-08-01

    The cluster correlation function xi sub c(r) is compared with the particle correlation function, xi(r) in cosmological N-body simulations with a wide range of initial conditions. The experiments include scale-free initial conditions, pancake models with a coherence length in the initial density field, and hybrid models. Three N-body techniques and two cluster-finding algorithms are used. In scale-free models with white noise initial conditions, xi sub c and xi are essentially identical. In scale-free models with more power on large scales, it is found that the amplitude of xi sub c increases with cluster richness; in this case the clusters give a biased estimate of the particle correlations. In the pancake and hybrid models (with n = 0 or 1), xi sub c is steeper than xi, but the cluster correlation length exceeds that of the points by less than a factor of 2, independent of cluster richness. Thus the high amplitude of xi sub c found in studies of rich clusters of galaxies is inconsistent with white noise and pancake models and may indicate a primordial fluctuation spectrum with substantial power on large scales. 30 references.

  4. Cluster observes formation of high-beta plasma blobs

    Directory of Open Access Journals (Sweden)

    G. Haerendel

    2004-07-01

    Full Text Available Late in a sequence of four moderate substorms on 26 July 2001, Cluster observed periods of a few minutes durations of high-beta plasma events (B<10nT, β=2-30, connected with dipolarizations of the magnetic field. Cluster was located near 02:45 MLT, at R=19RE and at about 5°N GSM. These events began late in the recovery phase of the second and about 5min before onset of the third substorm and lasted for three hours, way beyond the recovery phase of the fourth substorm. The most remarkable observation is that the onset coincided with the arrival of energetic (E~7keV O+ ions and energetic electrons obviously from the ionosphere, which tended to dominate the plasma composition throughout the remaining time. The magnetic flux and plasma transport is continuously directed equatorward and earthward, with oscillatory east-west movements superposed. Periods of the order of 5-10min and strong correlations between the magnetic elevation angle and log β (correlation coefficient 0.78 are highly reminiscent of the high-beta plasma blobs discovered with Equator-S and Geotail between 9 and 11RE in the late night/early morning sector (Haerendel et al., 1999.

    We conclude that Cluster observed the plasma blob formation in the tail plasma sheet, which seems to occur predominantly in the recovery and post-recovery phases of substorms. This is consistent with the finding of Equator-S and Geotail. The origin is a pulsed earthward plasma transport with velocity amplitudes of only several tens of km/s.

  5. PC Cluster Machine Equipped with High-Speed Communication Software

    CERN Document Server

    Tanaka, M

    2004-01-01

    A high performance Beowulf (PC cluster) machine installed with Linux operating system and MPI (Message Passing Interface) for interprocessor communications has been constructed using Gigabit Ethernet and the communication software GAMMA (Genoa Active Message Machine), instead of the standard TCP/IP protocol. Fast C/Fortran compilers have been exploited with the GAMMA communication libraries. This method has eliminated large communication overhead of TCP/IP and resulted in significant increase in the computational performance of real application programs including the first-principle molecular dynamics simulation code. (Keywords: non TCP/IP, active messages, small latency, fast C/Fortran compilers, materials science, first-principle molecular dynamics)

  6. HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY FOR DETERMINATION OF AROMATIC ALDEHYDES IN WINE DISTILLATES

    Directory of Open Access Journals (Sweden)

    Elena Nezalzova

    2011-06-01

    Full Text Available Quality control of alcoholic beverages, coming into the market, is a defining element in preventing the production and supplying of defective products. One of the main criteria for quality control of wine distillates is to estimate their age, and more precisely the period of maturation as the dominant factor in determining the quality of cognacs and, consequently, their market price. On the opinion of majority scientists, one of the main factors, which determines the age of wine distillates, is the content of aromatic aldehydes, mostly vanillin, and their ratio.

  7. Isolation of high-quality DNA in 16 aromatic and medicinal Colombian species using silica-based extraction columns

    Directory of Open Access Journals (Sweden)

    Vega Vela Nelson Enrique

    2011-12-01

    Full Text Available

    Aromatic and medicinal plant species are a valuable resource for research and development of pharmaceutical, cosmetic, crop protection and nutritional agents, due to the high amount of bioactive phytochemicals that they contain. However, these compounds are a major obstacle in the isolation of high-quality DNA suitable for genetic analyses. In this paper, we report a protocol that optimizes the use of the cationic detergent CTAB and the reductant β-mercaptoethanol in cell lysis. The elimination of plant secondary metabolites such as polysaccharides and polyphenols, that typically co-isolate with DNA, was achieved using the chemical denaturing properties of the guanidinium cation, which together with the adsorbent chemical specificity of the silica, resulted in the purification of high-quality DNA suitable for digestion with restriction enzymes and optimal for PCR amplification of AFLP-type molecular markers. This protocol was evaluated on 16 Colombian aromatic and medicinal plant species promising for their essential oils. The results allow suggesting that this procedure might be appropriate for other species, tissues and sample types recalcitrant to DNA extraction.

  8. Correlations and adsorption mechanisms of aromatic compounds on a high heat temperature treated bamboo biochar.

    Science.gov (United States)

    Yang, Kun; Yang, Jingjing; Jiang, Yuan; Wu, Wenhao; Lin, Daohui

    2016-03-01

    Adsorption of aromatic compounds, including polycyclic aromatic hydrocarbons, nitrobenzenes, phenols, and anilines, on a bamboo biochar produced at 700 °C (Ba700) was investigated with the mechanism discussion by isotherm fitting using the Polanyi-theory based Dubinin-Ashtakhov (DA) model. Correlations of adsorption capacity (Q(0)) of organic compounds with their molecular sizes and melting points, as well as correlations of adsorption affinity (E) with their solvatochromic parameters (i.e., π* and αm), on the biochar, were developed and indicating that adsorption is captured by the pore filling mechanism and derived from the hydrophobic effects of organic compounds and the forming of π-π electron donor-acceptor (EDA) interactions and hydrogen bonding interactions of organic molecules with surface sites of the biochar. The effects of organic molecular sizes and melting points on adsorption capacity are ascribed to the molecular sieving effect and the packing efficiency of the organic molecules in the biochar pores, respectively. These correlations can be used to quantitatively estimate the adsorption of organic compounds on biochars from their commonly physicochemical properties including solvatochromic parameters, melting points and molecular cross-sectional area. The prediction using these correlations is important for assessing the unknown adsorption behaviors of new organic compounds and also helpful to guide the surface modification of biochars and make targeted selection in the environmental applications of biochars as adsorbents.

  9. Determination of aromatic metabolites in ruminant urine by high-performance liquid chromatography.

    Science.gov (United States)

    Chen, X B; Pagella, J H; Bakker, M L; Parra, O

    1996-07-12

    A method based on reversed-phase HPLC is reported for the separation and quantification of various urinary aromatic metabolites: hippuric, phenylaceturic, salicyluric, benzoic, phenylacetic, salicylic, 3-phenylpropionic and cinnamic acids and several phenols in ruminant urine. In this method, a Nova-Pak C18 (4 microns) 150 x 3.9 mm I.D. column, two solvents [A: 15% methanol in 20 mM acetic acid (pH 3.3); B: methanol) in a gradient mode at a flow-rate of 0.8 ml/min, and UV detection at 210 nm were used. Quantification of the total (free and conjugated) benzoic, phenylacetic and salicylic acids present in urine was achieved by hydrolysis of the samples in 3 M HCl at 100 degrees C for 24 h prior to HPLC analysis. The lowest detection concentration was 50 mumol/l. This method is useful for scanning the profile of aromatic metabolites in urine of ruminants, which provides information on the diets the animals receive.

  10. Formation of Compact Clusters from High Resolution Hybrid Cosmological Simulations

    CERN Document Server

    Richardson, Mark L A; Gray, William J

    2013-01-01

    The early Universe hosted a large population of small dark matter `minihalos' that were too small to cool and form stars on their own. These existed as static objects around larger galaxies until acted upon by some outside influence. Outflows, which have been observed around a variety of galaxies, can provide this influence in such a way as to collapse, rather than disperse the minihalo gas. Gray & Scannapieco performed an investigation in which idealized spherically-symmetric minihalos were struck by enriched outflows. Here we perform high-resolution cosmological simulations that form realistic minihalos, which we then extract to perform a large suite of simulations of outflow-minihalo interactions including non-equilibrium chemical reactions. In all models, the shocked minihalo forms molecules through non-equilibrium reactions, and then cools to form dense chemically homogenous clumps of star-forming gas. The formation of these high-redshift clusters will be observable with the next generation of telesc...

  11. Scalable Clustering of High-Dimensional Data Technique Using SPCM with Ant Colony Optimization Intelligence

    Directory of Open Access Journals (Sweden)

    Thenmozhi Srinivasan

    2015-01-01

    Full Text Available Clusters of high-dimensional data techniques are emerging, according to data noisy and poor quality challenges. This paper has been developed to cluster data using high-dimensional similarity based PCM (SPCM, with ant colony optimization intelligence which is effective in clustering nonspatial data without getting knowledge about cluster number from the user. The PCM becomes similarity based by using mountain method with it. Though this is efficient clustering, it is checked for optimization using ant colony algorithm with swarm intelligence. Thus the scalable clustering technique is obtained and the evaluation results are checked with synthetic datasets.

  12. High-throughput metagenomic analysis of petroleum-contaminated soil microbiome reveals the versatility in xenobiotic aromatics metabolism.

    Science.gov (United States)

    Bao, Yun-Juan; Xu, Zixiang; Li, Yang; Yao, Zhi; Sun, Jibin; Song, Hui

    2017-06-01

    The soil with petroleum contamination is one of the most studied soil ecosystems due to its rich microorganisms for hydrocarbon degradation and broad applications in bioremediation. However, our understanding of the genomic properties and functional traits of the soil microbiome is limited. In this study, we used high-throughput metagenomic sequencing to comprehensively study the microbial community from petroleum-contaminated soils near Tianjin Dagang oilfield in eastern China. The analysis reveals that the soil metagenome is characterized by high level of community diversity and metabolic versatility. The metageome community is predominated by γ-Proteobacteria and α-Proteobacteria, which are key players for petroleum hydrocarbon degradation. The functional study demonstrates over-represented enzyme groups and pathways involved in degradation of a broad set of xenobiotic aromatic compounds, including toluene, xylene, chlorobenzoate, aminobenzoate, DDT, methylnaphthalene, and bisphenol. A composite metabolic network is proposed for the identified pathways, thus consolidating our identification of the pathways. The overall data demonstrated the great potential of the studied soil microbiome in the xenobiotic aromatics degradation. The results not only establish a rich reservoir for novel enzyme discovery but also provide putative applications in bioremediation. Copyright © 2016. Published by Elsevier B.V.

  13. Biomimetic Fenton-catalyzed lignin depolymerization to high-value aromatics and dicarboxylic acids.

    Science.gov (United States)

    Zeng, Jijiao; Yoo, Chang Geun; Wang, Fei; Pan, Xuejun; Vermerris, Wilfred; Tong, Zhaohui

    2015-03-01

    By mimicking natural lignin degradation systems, the Fenton catalyst (Fe(3+), H2O2) can effectively facilitate lignin depolymerization in supercritical ethanol (7 MPa, 250 °C) to give organic oils that consist of mono- and oligomeric aromatics, phenols, dicarboxylic acids, and their derivatives in yields up to (66.0±8.5) %. The thermal properties, functional groups, and surface chemistry of lignin before and after Fenton treatment were examined by thermogravimetric analysis, pyrolysis-gas chromatography-mass spectrometry, (31)P NMR spectroscopy, and X-ray photoelectron spectroscopy. The results suggest that the Fenton catalyst facilitates lignin depolymerization through cleavage of β-ether bonds between lignin residues. The formation of a lignin-iron chelating complex effectively depresses lignin recondensation; thus minimizing charcoal formation and enhancing the yield of liquid products.

  14. Highly selective hydrogenation of halonitroaromatics to aromatic haloamines by ligand modified Ni-based catalysts

    Institute of Scientific and Technical Information of China (English)

    Chun Shan Lu; Jing Hui Lv; Lei Ma; Qun Feng Zhang; Feng Feng; Xiao Nian Li

    2012-01-01

    Ligand modification of Ni-based catalysts by coordination of dicyandiamide to Ni metal leads to enhanced selectivity for the selective hydrogenation of halonitroaromatics.The selectivity of above 99.9% to aromatic haloamines can be achieved at the conversion of 100%.The results of H2-TPD and FT-IR experiments show that Ni-H+ species possessing the properties of Lewis acid site on the surface of Raney Ni could be responsible for the hydrodehalogenation.When Raney Ni was treated by dicyandiamide,Ni-H+ species interacted with N atom from the dicyandiamide.This interaction was stable even at reaction temperature,which reduced the possibility to form the intermediate state of Ar-Cl …H+Ni-.And then C-Cl bond could not be polarized and activated.The hydrodechlorination process was suppressed effectively.

  15. Separation of aromatic precipitates from simulated high level radioactive waste by hydrolysis, evaporation and liquid-liquid extraction

    Energy Technology Data Exchange (ETDEWEB)

    Young, S.R.; Shah, H.B.; Carter, J.T.

    1991-01-01

    The Defense Waste Processing Facility (DWPF) at the SRS will be the United States' first facility to process High Level radioactive Waste (HLW) into a borosilicate glass matrix. The removal of aromatic precipitates by hydrolysis, evaporation and liquid-liquid extraction will be a key step in the processing of the HLW. This step, titled the Precipitate Hydrolysis Process, has been demonstrated by the Savannah River Laboratory with the Precipitate Hydrolysis Experimental Facility (PHEF). The mission of the PHEF is to demonstrate processing of simulated high level radioactive waste which contains tetraphenylborate precipitates and nitrite. Reduction of nitrite by hydroxylamine nitrate and hydrolysis of the tetraphenylborate by formic acid is discussed. Gaseous production, which is primarily benzene, nitrous oxide and carbon dioxide, has been quantified. Production of high-boiling organic compounds and the accumulation of these organic compounds within the process are addressed.

  16. Separation of aromatic precipitates from simulated high level radioactive waste by hydrolysis, evaporation and liquid-liquid extraction

    Energy Technology Data Exchange (ETDEWEB)

    Young, S.R.; Shah, H.B.; Carter, J.T.

    1991-12-31

    The Defense Waste Processing Facility (DWPF) at the SRS will be the United States` first facility to process High Level radioactive Waste (HLW) into a borosilicate glass matrix. The removal of aromatic precipitates by hydrolysis, evaporation and liquid-liquid extraction will be a key step in the processing of the HLW. This step, titled the Precipitate Hydrolysis Process, has been demonstrated by the Savannah River Laboratory with the Precipitate Hydrolysis Experimental Facility (PHEF). The mission of the PHEF is to demonstrate processing of simulated high level radioactive waste which contains tetraphenylborate precipitates and nitrite. Reduction of nitrite by hydroxylamine nitrate and hydrolysis of the tetraphenylborate by formic acid is discussed. Gaseous production, which is primarily benzene, nitrous oxide and carbon dioxide, has been quantified. Production of high-boiling organic compounds and the accumulation of these organic compounds within the process are addressed.

  17. Hydrophilic carbon clusters as therapeutic, high capacity antioxidants

    Science.gov (United States)

    Samuel, Errol L. G.; Duong, MyLinh T.; Bitner, Brittany R.; Marcano, Daniela C.; Tour, James M.; Kent, Thomas A.

    2014-01-01

    Oxidative stress reflects an excessive accumulation of reactive oxygen species (ROS) and is a hallmark of several acute and chronic human pathologies. While many antioxidants have been investigated, the majority have demonstrated poor efficacy in clinical trials. Here, we discuss limitations of current antioxidants and describe a new class of nanoparticle antioxidants, poly(ethylene glycol)-functionalized hydrophilic carbon clusters (PEG-HCCs). PEG-HCCs show high capacity to annihilate ROS such as superoxide and hydroxyl radicals, show no reactivity toward nitric oxide, and can be functionalized with targeting moieties without loss of activity. Given these properties, we propose that PEG-HCCs offer an exciting new area of study for treatment of numerous ROS-induced human pathologies. PMID:25175886

  18. High Energy Gamma-rays from Globular Clusters

    CERN Document Server

    Sitarek, W B J

    2007-01-01

    It is expected that specific globular clusters can contain up to a hundred of millisecond pulsars. These pulsars can accelerate leptons at the shock waves originated in collisions of the pulsar winds and/or inside the pulsar magnetospheres. Energetic leptons diffuse gradually through the globular cluster comptonizing stellar and microwave background radiation. We calculate the GeV-TeV $\\gamma$-ray spectra for different models of injection of leptons and parameters of the globular clusters assuming reasonable, of the order of 1%, efficiency of energy conversion from the pulsar winds into the relativistic leptons. It is concluded that leptons accelerated in the globular cluster cores should produce well localized $\\gamma$-ray sources which are concentric with these globular clusters. The results are shown for four specific globular clusters (47 Tuc, Ter 5, M13, and M15), in which significant population of millisecond pulsars have been already discovered. We argue that the best candidates, which might be potenti...

  19. High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons in the 3 {\\mu}m region: Role of periphery

    CERN Document Server

    Maltseva, Elena; Candian, Alessandra; Mackie, Cameron J; Huang, Xinchuan; Lee, Timothy J; Tielens, Alexander G G M; Buma, Wybren Jan

    2016-01-01

    In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3 {\\mu}m absorption band. To this purpose we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 cm-1 range. The experimental spectra are compared with standard harmonic calculations, and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3 {\\mu}m region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported hi...

  20. High performance computing: Clusters, constellations, MPPs, and future directions

    Energy Technology Data Exchange (ETDEWEB)

    Dongarra, Jack; Sterling, Thomas; Simon, Horst; Strohmaier, Erich

    2003-06-10

    Last year's paper by Bell and Gray [1] examined past trends in high performance computing and asserted likely future directions based on market forces. While many of the insights drawn from this perspective have merit and suggest elements governing likely future directions for HPC, there are a number of points put forth that we feel require further discussion and, in certain cases, suggest alternative, more likely views. One area of concern relates to the nature and use of key terms to describe and distinguish among classes of high end computing systems, in particular the authors use of ''cluster'' to relate to essentially all parallel computers derived through the integration of replicated components. The taxonomy implicit in their previous paper, while arguable and supported by some elements of our community, fails to provide the essential semantic discrimination critical to the effectiveness of descriptive terms as tools in managing the conceptual space of consideration. In this paper, we present a perspective that retains the descriptive richness while providing a unifying framework. A second area of discourse that calls for additional commentary is the likely future path of system evolution that will lead to effective and affordable Petaflops-scale computing including the future role of computer centers as facilities for supporting high performance computing environments. This paper addresses the key issues of taxonomy, future directions towards Petaflops computing, and the important role of computer centers in the 21st century.

  1. Searching for Cool Core Clusters at High redshift

    CERN Document Server

    Santos, Joana S; Tozzi, Paolo; Boehringer, Hans; Ettori, Stefano; Bignamini, Andrea

    2008-01-01

    We investigate the detection of Cool Cores (CCs) in the distant galaxy cluster population, with the purpose of measuring the CC fraction out to redshift 0.7 0.7, and should also be related with the shorter age of distant clusters, implying less time to develop a cool core.

  2. Highly dynamically evolved intermediate-age open clusters

    Science.gov (United States)

    Piatti, Andrés E.; Dias, Wilton S.; Sampedro, Laura M.

    2017-04-01

    We present a comprehensive UBVRI and Washington CT1T2 photometric analysis of seven catalogued open clusters, namely: Ruprecht 3, 9, 37, 74, 150, ESO 324-15 and 436-2. The multiband photometric data sets in combination with 2MASS photometry and Gaia astrometry for the brighter stars were used to estimate their structural parameters and fundamental astrophysical properties. We found that Ruprecht 3 and ESO 436-2 do not show self-consistent evidence of being physical systems. The remained studied objects are open clusters of intermediate age (9.0 ≤ log(t yr-1) ≤ 9.6), of relatively small size (rcls ∼ 0.4-1.3 pc) and placed between 0.6 and 2.9 kpc from the Sun. We analysed the relationships between core, half-mass, tidal and Jacoby radii as well as half-mass relaxation times to conclude that the studied clusters are in an evolved dynamical stage. The total cluster masses obtained by summing those of the observed cluster stars resulted to be ∼10-15 per cent of the masses of open clusters of similar age located closer than 2 kpc from the Sun. We found that cluster stars occupy volumes as large as those for tidally filled clusters.

  3. The Luminous Polycyclic Aromatic Hydrocarbon Emission Features: Applications to High Redshift Galaxies and Active Galactic Nuclei

    Science.gov (United States)

    Shipley, Heath V.

    2016-01-01

    For decades, significant work has been applied to calibrating emission from the ultra-violet, nebular emission lines, far-infrared, X-ray and radio as tracers of the star-formation rate (SFR) in distant galaxies. Understanding the exact rate of star-formation and how it evolves with time and galaxy mass has deep implications for how galaxies form. The co-evolution of star-formation and supermassive black hole (SMBH) accretion is one of the key problems in galaxy formation theory. But, many of these SFR indicators are influenced by SMBH accretion in galaxies and result in unreliable SFRs. Utilizing the luminous polycyclic aromatic hydrocarbon (PAH) emission features, I provide a new robust SFR calibration using the luminosity emitted from the PAHs at 6.2μm, 7.7μm and 11.3μm to solve this. The PAH features emit strongly in the mid-infrared (mid-IR; 5-25μm) mitigating dust extinction, containing on average 5-10% of the total IR luminosity in galaxies. I use a sample of 105 star-forming galaxies covering a range of total IR luminosity, LIR = L(8-1000μm) = 109 - 1012 L⊙ and redshift 0 blackhole accretion contemporaneously in a galaxy.

  4. Determination of some polycyclic aromatic hydrocarbons (PAHs ...

    African Journals Online (AJOL)

    cinthia

    2013-08-01

    Aug 1, 2013 ... In this study, polycyclic aromatic hydrocarbons (PAHs) associated with airborne particulate ... compounds from the heavily industrialized Vaal Triangle region. ... benzene ring as cluster, linear or angular (Maliszewska-.

  5. Electron motion enhanced high harmonic generation in xenon clusters

    CERN Document Server

    Li, Na; Bai, Ya; Peng, Peng; Li, Ruxin; Xu, Zhizhan

    2016-01-01

    Atomic clusters presents an isolated system that models the bulk materials whose mechanism of HHG remains uncertain, and a promising medium to produce HHG beyond the limited conversion efficiency for gaseous atoms. Here we reveal that the oscillation of collective electron motion within clusters develops after the interaction of intense laser fields, and it significantly enhances the harmonic dipole and increases the quantum phase of the harmonics. Experimentally, the phase matching conditions of HHG from nanometer xenon clusters and atoms are distinguished, which confirms the enhanced internal field that was proposed theoretically a decade ago. The separation of HHG from atoms and clusters allows the determination of the amplitude of the HHG for clusters to be 5 orders higher, corresponding to 4 times higher conversion efficiency for atomic response. The finding provides an insight on the HHG mechanism of bulk materials and a means by which an efficient coherent X-ray source can be developed.

  6. The effect of a high-roughage diet on the metabolism of aromatic compounds by rumen microbes: a metagenomic study using Mehsani buffalo (Bubalus bubalis).

    Science.gov (United States)

    Prajapati, Vimalkumar S; Purohit, Hemant J; Raje, Dhananjay V; Parmar, Nidhi; Patel, Anand B; Jones, Oliver A H; Joshi, Chaitanya G

    2016-02-01

    In developing countries, livestock are often fed a high-lignin, low-nutrient diet that is rich in aromatic compounds. It is therefore important to understand the structure of the microbial community responsible for the metabolism of these substances. A metagenomic analysis was therefore carried out to assess the microbial communities associated with the liquid and solid fractions of rumen biomaterial from domestic Mehsani buffalo (Bubalus bubalis) fed with varying proportions of roughage. The experimental design consisted of three feeding regimes (50, 75 and 100 % roughage) and two roughage types (green and dry). Genes associated with aromatic compound degradation were assessed via high-throughput DNA sequencing. A total of 3914.94 Mb data were generated from all treatment groups. Genes coding for functional responses associated with aromatic compound metabolism were more prevalent in the liquid fraction of rumen samples than solid fractions. Statistically significant differences (p aromatic compound catabolism. At the phylum level, Bacteroidetes were dominant in all treatments closely followed by the Firmicutes. This study demonstrates the use of feed type to selectively enrich microbial communities capable of metabolizing aromatic compounds in the rumen of domestic buffalo. The results may help to improve nutrient utilization efficiency in livestock and are thus of interest to farming industries, particularly in developing countries, worldwide.

  7. Accelerating high-dimensional clustering with lossless data reduction.

    Science.gov (United States)

    Qaqish, Bahjat F; O'Brien, Jonathon J; Hibbard, Jonathan C; Clowers, Katie J

    2017-09-15

    For cluster analysis, high-dimensional data are associated with instability, decreased classification accuracy and high-computational burden. The latter challenge can be eliminated as a serious concern. For applications where dimension reduction techniques are not implemented, we propose a temporary transformation which accelerates computations with no loss of information. The algorithm can be applied for any statistical procedure depending only on Euclidean distances and can be implemented sequentially to enable analyses of data that would otherwise exceed memory limitations. The method is easily implemented in common statistical software as a standard pre-processing step. The benefit of our algorithm grows with the dimensionality of the problem and the complexity of the analysis. Consequently, our simple algorithm not only decreases the computation time for routine analyses, it opens the door to performing calculations that may have otherwise been too burdensome to attempt. R, Matlab and SAS/IML code for implementing lossless data reduction is freely available in the Appendix. obrienj@hms.harvard.edu.

  8. A novel chiral aliphatic-aromatic diamine promoted direct, highly enantio- and diastereoselective Michael addition of cyclohexanone to nitroolefins under solvent-free conditions.

    Science.gov (United States)

    Miao, Shifeng; Bai, Jinjin; Yang, Jin; Zhang, Yawen

    2010-10-01

    A series of new highly efficient chiral aliphatic-aromatic diamine catalysts have been designed and successfully applied to the asymmetric Michael addition of cyclohexanone with nitroolefins under solvent-free conditions without any acidic additives. The desired adducts were obtained in high yields with excellent enantio- and diastereoselectivities of syn products (up to >99% ee, >99:1 dr).

  9. Bacterial degradation of monocyclic aromatic amines

    Directory of Open Access Journals (Sweden)

    Pankaj Kumar Arora

    2015-08-01

    Full Text Available Aromatic amines are an important group of industrial chemicals, which are widely used for manufacturing of dyes, pesticides, drugs, pigments, and other industrial products. These compounds have been considered highly toxic to human beings due to their carcinogenic nature. Three groups of aromatic amines have been recognized: monocyclic, polycyclic and heterocyclic aromatic amines. Bacterial degradation of several monocyclic aromatic compounds has been studied in a variety of bacteria, which utilizes monocyclic aromatic amines as their sole source of carbon and energy. Several degradation pathways have been proposed and the related enzymes and genes have also been characterized. Many reviews have been reviewed toxicity of monocyclic aromatic amines; however, there is lack of review on biodegradation of monocyclic aromatic amines. The aim of this review is to summarize bacterial degradation of monocyclic aromatic amines. This review will increase our current understanding of biochemical and molecular basis of bacterial degradation of monocyclic aromatic amines.

  10. Seawater Polluted with Highly Concentrated Polycyclic Aromatic Hydrocarbons Suppresses Osteoblastic Activity in the Scales of Goldfish, Carassius auratus.

    Science.gov (United States)

    Suzuki, Nobuo; Sato, Masayuki; Nassar, Hossam F; Abdel-Gawad, Fagr Kh; Bassem, Samah M; Yachiguchi, Koji; Tabuchi, Yoshiaki; Endo, Masato; Sekiguchi, Toshio; Urata, Makoto; Hattori, Atsuhiko; Mishima, Hiroyuki; Shimasaki, Youhei; Oshima, Yuji; Hong, Chun-Sang; Makino, Fumiya; Tang, Ning; Toriba, Akira; Hayakawa, Kazuichi

    2016-08-01

    We have developed an original in vitro bioassay using teleost scale, that has osteoclasts, osteoblasts, and bone matrix as each marker: alkaline phosphatase (ALP) for osteoblasts and tartrate-resistant acid phosphatase (TRAP) for osteoclasts. Using this scale in vitro bioassay, we examined the effects of seawater polluted with highly concentrated polycyclic aromatic hydrocarbons (PAHs) and nitro-polycyclic aromatic hydrocarbons (NPAHs) on osteoblastic and osteoclastic activities in the present study. Polluted seawater was collected from two sites (the Alexandria site on the Mediterranean Sea and the Suez Canal site on the Red Sea). Total levels of PAHs in the seawater from the Alexandria and Suez Canal sites were 1364.59 and 992.56 ng/l, respectively. We were able to detect NPAHs in both seawater samples. Total levels of NPAHs were detected in the seawater of the Alexandria site (12.749 ng/l) and the Suez Canal site (3.914 ng/l). Each sample of polluted seawater was added to culture medium at dilution rates of 50, 100, and 500, and incubated with the goldfish scales for 6 hrs. Thereafter, ALP and TRAP activities were measured. ALP activity was significantly suppressed by both polluted seawater samples diluted at least 500 times, but TRAP activity did not change. In addition, mRNA expressions of osteoblastic markers (ALP, osteocalcin, and the receptor activator of the NF-κB ligand) decreased significantly, as did the ALP enzyme activity. In fact, ALP activity decreased on treatment with PAHs and NPAHs. We conclude that seawater polluted with highly concentrated PAHs and NPAHs influences bone metabolism in teleosts.

  11. On the accuracy of the high redshift cluster luminosity function

    CERN Document Server

    Muñoz, Roberto P; Barrientos, Luis F

    2008-01-01

    We study the reliability of the statistical background subtraction method for computing the Ks-band luminosity function of cluster galaxies at z~1 using mock Red-sequence Cluster Survey cluster catalogues constructed from GALFORM semi-analytic galaxies. The underlying cluster luminosity function in the mocks are compatible with recent estimates at z~1 by several authors. We simulate different samples where the number of clusters with Ks-band photometry goes from 5 to a maximum of 50, in order to find the most suitable observational sample to carry out this study; the current observational status in the nIR wavelength range has been reached using 5 real clusters at z~1. We compute the composite luminosity function for several samples of galaxy clusters with masses 1.5x10^14 M_sun assuming a flux limited, complete sample of galaxies down to Ks=21.0 magnitudes. We find that the Schechter fit parameters Ks* and alpha for a sample of galaxies with no redshift information are rather poorly constrained if both param...

  12. Superconductivity in aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kubozono, Yoshihiro, E-mail: kubozono@cc.okayama-u.ac.jp [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Japan Science and Technology Agency, ACT-C, Kawaguchi 332-0012 (Japan); Goto, Hidenori; Jabuchi, Taihei [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Yokoya, Takayoshi [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Kambe, Takashi [Department of Physics, Okayama University, Okayama 700-8530 (Japan); Sakai, Yusuke; Izumi, Masanari; Zheng, Lu; Hamao, Shino; Nguyen, Huyen L.T. [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Sakata, Masafumi; Kagayama, Tomoko; Shimizu, Katsuya [Center of Science and Technology under Extreme Conditions, Osaka University, Osaka 560-8531 (Japan)

    2015-07-15

    Highlights: • Aromatic superconductor is one of core research subjects in superconductivity. Superconductivity is observed in certain metal-doped aromatic hydrocarbons. Some serious problems to be solved exist for future advancement of the research. This article shows the present status of aromatic superconductors. - Abstract: ‘Aromatic hydrocarbon’ implies an organic molecule that satisfies the (4n + 2) π-electron rule and consists of benzene rings. Doping solid aromatic hydrocarbons with metals provides the superconductivity. The first discovery of such superconductivity was made for K-doped picene (K{sub x}picene, five benzene rings). Its superconducting transition temperatures (T{sub c}’s) were 7 and 18 K. Recently, we found a new superconducting K{sub x}picene phase with a T{sub c} as high as 14 K, so we now know that K{sub x}picene possesses multiple superconducting phases. Besides K{sub x}picene, we discovered new superconductors such as Rb{sub x}picene and Ca{sub x}picene. A most serious problem is that the shielding fraction is ⩽15% for K{sub x}picene and Rb{sub x}picene, and it is often ∼1% for other superconductors. Such low shielding fractions have made it difficult to determine the crystal structures of superconducting phases. Nevertheless, many research groups have expended a great deal of effort to make high quality hydrocarbon superconductors in the five years since the discovery of hydrocarbon superconductivity. At the present stage, superconductivity is observed in certain metal-doped aromatic hydrocarbons (picene, phenanthrene and dibenzopentacene), but the shielding fraction remains stubbornly low. The highest priority research area is to prepare aromatic superconductors with a high superconducting volume-fraction. Despite these difficulties, aromatic superconductivity is still a core research target and presents interesting and potentially breakthrough challenges, such as the positive pressure dependence of T{sub c} that is clearly

  13. Seasonal changes and temperature-dependent accumulation of polycyclic aromatic hydrocarbons in high-altitude soils.

    Science.gov (United States)

    Tremolada, Paolo; Parolini, Marco; Binelli, Andrea; Ballabio, Cristiano; Comolli, Roberto; Provini, Alfredo

    2009-07-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are a major group of pollutants whose occurrence in the environment is mainly of anthropogenic origin. In this paper, we examine the effect of topographical slope exposure on PAH contamination and seasonal change in PAH concentrations in soils. We collected soil samples on three dates in 2007 (early May, end of July and beginning of November) from south- and north-facing aspects at 1900 m a.s.l. in the central Italian Alps. We found greater PAH contamination in soils from a north-facing slope than in those from a south-facing slope at all seasons. We calculated North-South Enrichment Factors as the ratio between the concentrations measured in soils from northern and southern aspects. These ratios ranged from 1.4 to 1.9 for lighter PAHs (from 2 to 4 rings). These values are consistent with theoretical calculations based on temperature-specific octanol-air partition coefficients (predicted North-South Enrichment Factors range from 1.6 to 2.0). For heavier PAHs (from 5 to 6 rings), smaller differences were observed between soils from northern and southern aspects, due to the gas/particle distribution of these compounds. We also found consistent differences in normalised PAH concentrations across the three sampling periods. The majority of compounds showed a significant decreasing trend from the beginning of May to the end of July, due to the annual cycles of physical processes (deposition vs. volatilisation) and biological processes (uptake and/or biotransformation). Only a few compounds showed different trends, presumably due to season-specific local emission sources.

  14. Design, Synthesis, EPR-Studies and Conformational Bias of Novel Spin-Labeled DCC-Analogues for the Highly Regioselective Labeling of Aliphatic and Aromatic Carboxylic Acids.

    Science.gov (United States)

    Gölz, Jan Philipp; NejatyJahromy, Yaser; Bauer, Mirko; Muhammad, Ashraf; Schnakenburg, Gregor; Grimme, Stefan; Schiemann, Olav; Menche, Dirk

    2016-07-04

    Novel types of spin-labeled N,N'-dicyclohexylcarbodiimides (DCC) are reported that bear a 2,2,6,6-tetramethylpiperidinyloxyl (TEMPO) residue on one side and different aromatic and aliphatic cyclohexyl analogues on the other side of the diimide core. These readily available novel reagents add efficiently to aliphatic and aromatic carboxylic acids, forming two possible spin-labeled amide derivatives with different radical distances of the resulting amide. The addition of aromatic DCC analogues proceeds with excellent selectivity, giving amides where the carboxylic acid is exclusively connected to the aromatic residue, while little or no selectivity was observed for the aliphatic congeners. The usefulness of these adducts in structural studies was demonstrated by EPR (electron paramagnetic resonance) measurements of biradical adducts of biphenyl-4,4'-dicarboxylic acids. These analyses also reveal high degrees of conformational bias for aromatic DCC derivatives, which further underlines the powerfulness of these novel reagents. This observation was further corroborated by quantum chemical calculations, giving a detailed understanding of the structural dynamics, while detailed information on the solid state structure of all novel reagents was obtained by X-ray structure analyses.

  15. High-Intensity Femtosecond Laser Interaction with Rare Gas Clusters

    Institute of Scientific and Technical Information of China (English)

    林亚风; 钟钦; 曾淳; 陈哲

    2001-01-01

    With a 45 fs multiterawatt 790 nm laser system and jets of argon and krypton atomic clusters, a study of the interaction of fs intense laser pulses with large size rare gas dusters was conducted. The maximum laser intensity of about 7 × 1016 W/cm2 and dusters composed of thousands of atoms which were determined through Rayleigh scattering measurements were involved inthe experiments. On the one hand, the results indicate that the interaction is strongly cluster size dependent. The stronger the interaction, the larger the clusters are. On the other hand, a saturation followed by a drop of the energy of ions ejected from the interaction will occur when the laser intensity exceeds a definite value for clusters of a certain size.

  16. CLUSTERING AND PROPERTIES OF GALAXIES AROUND HIGH REDSHIFT RADIO SOURCES

    Directory of Open Access Journals (Sweden)

    C. G. Bornancini

    2009-01-01

    Full Text Available We present measurements of the clustering properties of galaxies in the eld 0:5 < z < 1:5 Ultra Steep Spectrum (USS radio sources selected from SUMSS and NVSS surveys. We nd a comoving correlation length of r0 = 14:0+.- 2:8 h-1 Mpc. We compare our ndings with those obtained in a cosmological N-body simulation populated with GALFORM semi-analytic galaxies. We nd that clusters of galaxies with masses in the range M = 1013:4-14:2 h-1 M have a cluster-galaxy cross-correlation amplitude comparable to those found between USS hosts and galaxies. These results suggest that distant radio galaxies are excellent tracers of galaxy overdensities and pinpoint the progenitors of present day rich clusters of galaxies.

  17. Selective production of aromatics from alkylfurans over solid acid catalysts

    DEFF Research Database (Denmark)

    Wang, Dong; Dumesic, James A.; Taarning, Esben

    2013-01-01

    Solid acid catalysts were studied at temperatures near 523K for the production of benzene, toluene, and p-xylene by the reaction of ethylene with furan, 2-methylfuran, and 2,5-dimethylfuran, respectively, through the combination of cycloaddition and dehydrative aromatization reactions. Catalysts ...... that the high reactivity of WOx-ZrO2 is mainly associated with the presence of subnanometer WOx clusters mixed with zirconium, which reach a maximum surface concentration at intermediate tungsten coverage....

  18. Long-term performance and stability of a continuous granular airlift reactor treating a high-strength wastewater containing a mixture of aromatic compounds.

    Science.gov (United States)

    Ramos, Carlos; Suárez-Ojeda, María Eugenia; Carrera, Julián

    2016-02-13

    Continuous feeding operation of an airlift reactor and its inoculation with mature aerobic granules allowed the successful treatment of a mixture of aromatic compounds (p-nitrophenol, o-cresol and phenol). Complete biodegradation of p-nitrophenol, o-cresol, phenol and their metabolic intermediates was achieved at an organic loading rate of 0.61 g COD L(-1)d(-1). Stable granulation was obtained throughout the long-term operation (400 days) achieving an average granule size of 2.0 ± 1 mm and a sludge volumetric index of 26 ± 1 mL g(-1) TSS. The identified genera in the aerobic granular biomass were heterotrophic bacteria able to consume aromatic compounds. Therefore, the continuous feeding regimen and the exposure of aerobic granules to a mixture of aromatic compounds make possible to obtain good granulation and high removal efficiency.

  19. Highly dynamically evolved intermediate-age open clusters

    CERN Document Server

    Piatti, Andrés E; Sampedro, Laura M

    2016-01-01

    We present a comprehensive UBVRI and Washington CT1T2 photometric analysis of seven catalogued open clusters, namely: Ruprecht 3, 9, 37, 74, 150, ESO 324-15 and 436-2. The multi-band photometric data sets in combination with 2MASS photometry and Gaia astrometry for the brighter stars were used to estimate their structural parameters and fundamental astrophysical properties. We found that Ruprecht 3 and ESO 436-2 do not show self-consistent evidence of being physical systems. The remained studied objects are open clusters of intermediate-age (9.0 < log(t yr-1) < 9.6), of relatively small size (r_cls ~ 0.4 - 1.3 pc) and placed between 0.6 and 2.9 kpc from the Sun. We analized the relationships between core, half-mass, tidal and Jacoby radii as well as half-mass relaxation times to conclude that the studied clusters are in an evolved dynamical stage. The cluster masses obtained by summing those of the observed cluster stars resulted to be ~ 10-15 per cent of the masses of open clusters of similar age locat...

  20. CFSBC:Clustering in High-Dimensional Space Based on Closed Frequent Item Set

    Institute of Scientific and Technical Information of China (English)

    NI Wei-wei; SUN Zhi-hui

    2004-01-01

    Clustering in high-dimensional space is an important domain in data mining.It is the process of discovering groups in a high-dimensional dataset, in such way, that the similarity between the elements of the same cluster is maximum and between different clusters is minimal.Many clustering algorithms are not applicable to high-dimensional space for its sparseness and decline properties.Dimensionality reduction is an effective method to solve this problem.The paper proposes a novel clustering algorithm CFSBC based on closed frequent itemsets derived from association rule mining, which can get the clustering attributes with high efficiency.The algorithm has several advantages.First, it deals effectively with the problem of dimensionality reduction.Second, it is applicable to different kinds of attributes.Third, it is suitable for very large data sets.Experiment shows that the proposed algorithm is effective and efficient.

  1. Using Heterogeneous High Performance Computing Cluster for Supporting Fine-Grained Parallel Applications

    Science.gov (United States)

    2006-10-01

    Beowulf cluster made of COTS PCs (featuring dual processor Xeon’s) interconnected via a Gigabit Ethernet Network and a Myrinet network [Boden 1995...AFRL-IF-RS-TR-2006-313 Final Technical Report October 2006 USING HETEROGENEOUS HIGH PERFORMANCE COMPUTING CLUSTER FOR SUPPORTING...GRANT NUMBER FA8750-05-1-0130 4. TITLE AND SUBTITLE USING HETEROGENEOUS HIGH PERFORMANCE COMPUTING CLUSTER FOR SUPPORTING FINE-GRAINED PARALLEL

  2. Photocatalytic organic transformation by layered double hydroxides: highly efficient and selective oxidation of primary aromatic amines to their imines under ambient aerobic conditions.

    Science.gov (United States)

    Yang, Xiu-Jie; Chen, Bin; Li, Xu-Bing; Zheng, Li-Qiang; Wu, Li-Zhu; Tung, Chen-Ho

    2014-06-25

    We report the first application of layered double hydroxide as a photocatalyst in the transformation of primary aromatic amines to their corresponding imines with high efficiency and selectivity by using oxygen in an air atmosphere as a terminal oxidant under light irradiation.

  3. Biodegradation of high-molecular-weight polycyclic aromatic hydrocarbons by a wood-degrading consortium at low temperatures.

    Science.gov (United States)

    Simarro, Raquel; González, Natalia; Bautista, Luis Fernando; Molina, Maria Carmen

    2013-02-01

    This study evaluates the ability of two bacterial consortia (C2PL05 and BOS08), extracted from very different environments, to degrade low- (naphthalene, phenanthrene, anthracene) and high- (pyrene, perylene) molecular-weight polycyclic aromatic hydrocarbons (PAHs) at high (15-25 °C) and low (5-15 °C) temperature ranges. C2PL05 was isolated from a soil in an area chronically and heavily contaminated with petroleum hydrocarbons and BOS08 from decomposing wood in an unpolluted forest, free of PAHs. Bacterial consortia were described by cultivable and noncultivable techniques (denaturing gradient gel electrophoresis). Fungal DNA was not observed within the wood-decomposing consortium and fungal activity was therefore negligible during most of the PAH degradation process. PAH-degrading bacterial populations, measured by most probable number enumeration, increased during the exponential phase. Toxicity estimated by the Microtox method was reduced to low levels and final PAH depletion, determined by HPLC, confirmed the high degree (54% and 99%, respectively) of low- and high-molecular-weight PAH degradation capacity of the two consortia. PAH-degrading capacity was also confirmed at low temperatures, and especially by consortium BOS08 not previously exposed to those toxic compounds, where strains of Acinetobacter sp., Pseudomonas sp., Ralstonia sp. and Microbacterium sp. were identified.

  4. Aromatic graphene

    Science.gov (United States)

    Das, D. K.; Sahoo, S.

    2016-04-01

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  5. Aromatic graphene

    Energy Technology Data Exchange (ETDEWEB)

    Das, D. K., E-mail: gour.netai@gmail.com [Department of Metallurgical and Material Science Engineering, National Institute of Technology Durgapur-713209, West Bengal (India); Sahoo, S., E-mail: sukadevsahoo@yahoo.com [Department of Physics, National Institute of Technology Durgapur-713209, West Bengal (India)

    2016-04-13

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  6. Dehalogenation of aromatics by nucleophilic aromatic substitution.

    Science.gov (United States)

    Sadowsky, Daniel; McNeill, Kristopher; Cramer, Christopher J

    2014-09-16

    Nucleophilic aromatic substitution has been implicated as a mechanism for both the biotic and abiotic hydrodehalogenation of aromatics. Two mechanisms for the aqueous dehalogenation of aromatics involving nucleophilic aromatic substitution with hydride as a nucleophile are investigated using a validated density functional and continuum solvation protocol. For chlorinated and brominated aromatics, nucleophilic addition ortho to carbon-halogen bonds via an anionic intermediate is predicted to be the preferred mechanism in the majority of cases, while concerted substitution is predicted to be preferred for most fluorinated aromatics. Nucleophilic aromatic substitution reactions with the hydroxide and hydrosulfide anions as nucleophiles are also investigated and compared.

  7. Isolation of an extremely halophilic arhaeon Natrialba sp. C21 able to degrade aromatic compounds and to produce stable biosurfactant at high salinity.

    Science.gov (United States)

    Khemili-Talbi, Souad; Kebbouche-Gana, Salima; Akmoussi-Toumi, Siham; Angar, Yassmina; Gana, Mohamed Lamine

    2015-11-01

    Natrialba sp. strain C21 was isolated from oil contaminated saline water in Ain Salah (Algeria) and has exhibited a good potential for degrading phenol (3% v/v), naphthalene (3% v/v), and pyrene (3% v/v) at high salinity with high growth, enzymatic activity and biosurfactant production. Successful metabolism of aromatic hydrocarbon compounds of the strain Natrialba sp. C21 appears to require the ortho-cleavage pathway. Indeed, assays of the key enzymes involved in the ring cleavage of catechol 1, 2-dioxygenase indicated that degradation of the phenol, naphthalene and pyrene by strain Natrialba sp. C21 was via the ortho-cleavage pathway. Cells grown on aromatic hydrocarbons displayed greater ortho-activities mainly towards catechol, while the meta-activity was very low. Besides, biosurfactants derived from the strain C21 were capable of effectively emulsifying both aromatic and aliphatic hydrocarbons and seem to be particularly promising since they have particular adaptations like the increased stability at high temperature and salinity conditions. This study clearly demonstrates for the first time that strain belonging to the genera Natrialba is able to grow at 25% (w/v) NaCl, utilizing phenol, naphthalene, and pyrene as the sole carbon sources. The results suggest that the isolated halophilic archaeon could be a good candidate for the remediation process in extreme environments polluted by aromatic hydrocarbons. Moreover, the produced biosurfactant offers a multitude of interesting potential applications in various fields of biotechnology.

  8. High-performance dynamic quantum clustering on graphics processors

    Energy Technology Data Exchange (ETDEWEB)

    Wittek, Peter, E-mail: peterwittek@acm.org [Swedish School of Library and Information Science, University of Boras, Boras (Sweden)

    2013-01-15

    Clustering methods in machine learning may benefit from borrowing metaphors from physics. Dynamic quantum clustering associates a Gaussian wave packet with the multidimensional data points and regards them as eigenfunctions of the Schroedinger equation. The clustering structure emerges by letting the system evolve and the visual nature of the algorithm has been shown to be useful in a range of applications. Furthermore, the method only uses matrix operations, which readily lend themselves to parallelization. In this paper, we develop an implementation on graphics hardware and investigate how this approach can accelerate the computations. We achieve a speedup of up to two magnitudes over a multicore CPU implementation, which proves that quantum-like methods and acceleration by graphics processing units have a great relevance to machine learning.

  9. Improving the Performance of K-Means Clustering For High Dimensional Data Set

    Directory of Open Access Journals (Sweden)

    P.Prabhu,

    2011-06-01

    Full Text Available Clustering high dimensional data is the cluster analysis of data with anywhere from a few dozen to many thousands of dimensions. Multiple dimensions are hard to think in, impossible to visualize, and, due to the exponential growth of the number of possible values with each dimension, impossible to enumerate. Hence to improve the efficiency and accuracy of mining task on high dimensional data, the data must be preprocessed by efficient dimensionality reduction methods such as Principal Component Analysis (PCA.Cluster analysis in high-dimensional data as the process of fast identification and efficient description of clusters. The clusters have to be of high quality with regard to a suitably chosen homogeneity measure. K-means is a well known partitioning based clustering technique that attempts to find a user specified number of clusters represented by their centroids. There is a difficulty in comparing quality of the clusters produced Different initial partitions can result in different final clusters. Hence in this paper we proposed to use the Principal component Analysis method to reduce the data set from high dimensional to low dimensional. The new method is used to find the initial centroids to make the algorithm more effective and efficient. By comparing the result of original and proposed method, it wasfound that the results obtained from proposed method are more accurate.

  10. Introduction of π-complexation into porous aromatic framework for highly selective adsorption of ethylene over ethane

    KAUST Repository

    Li, Baiyan

    2014-06-18

    In this work, we demonstrate for the first time the introduction of π-complexation into a porous aromatic framework (PAF), affording significant increase in ethylene uptake capacity, as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. IAST calculations using single-component-isotherm data and an equimolar ethylene/ethane ratio at 296 K reveal that PAF-1-SO3Ag shows exceptionally high ethylene/ethane adsorption selectivity (Sads: 27 to 125), far surpassing benchmark zeolite and any other MOF reported in literature. The formation of π-complexation between ethylene molecules and Ag(I) ions in PAF-1-SO 3Ag has been evidenced by the high isosteric heats of adsorption of C2H4 and also proved by in situ IR spectroscopy studies. Transient breakthrough experiments, supported by simulations, indicate the feasibility of PAF-1-SO3Ag for producing 99.95%+ pure C 2H4 in a Pressure Swing Adsorption operation. Our work herein thus suggests a new perspective to functionalizing PAFs and other types of advanced porous materials for highly selective adsorption of ethylene over ethane. © 2014 American Chemical Society.

  11. Highly π electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references.

    Science.gov (United States)

    Rives, Arnaud; Baglai, Iaroslav; Malytskyi, Volodymyr; Maraval, Valérie; Saffon-Merceron, Nathalie; Voitenko, Zoia; Chauvin, Remi

    2012-09-11

    A series of stable quadrupolar bis(p-aminophenyl)-carbo-benzenes, featuring both donor-donor-donor π-frustration and central macro-aromaticity, is described and compared to the acyclic dibutatrienylacetylene (DBA) reference series.

  12. High levels of aromatic amino acids in gastric juice during the early stages of gastric cancer progression.

    Directory of Open Access Journals (Sweden)

    Kai Deng

    Full Text Available BACKGROUND: Early-stage gastric cancer is mostly asymptomatic and can easily be missed easily by conventional gastroscopy. Currently, there are no useful biomarkers for the early detection of gastric cancer, and their identification of biomarkers is urgently needed. METHODS: Gastric juice was obtained from 185 subjects that were divided into three groups: non-neoplastic gastric disease (NGD, advanced gastric cancer and early gastric cancer (EGC. The levels of aromatic amino acids in the gastric juice were quantitated using high-performance liquid chromatography. RESULTS: The median values (25th to 75th percentile of tyrosine, phenylalanine and tryptophan in the gastric juice were 3.8 (1.7-7.5 µg/ml, 5.3 (2.3-9.9 µg/ml and 1.0 (0.4-2.8 µg/ml in NGD; 19.4 (5.8-72.4 µg/ml, 24.6 (11.5-73.7 µg/ml and 8.3 (2.1-28.0 µg/ml in EGC. Higher levels of tyrosine, phenylalanine and tryptophan in the gastric juice were observed in individuals of EGC groups compared those of the NGD group (NGD vs. EGC, P<0.0001. For the detection of EGC, the areas under the receiver operating characteristic curves (AUCs of each biomarker were as follows: tyrosine, 0.790 [95% confidence interval (CI, 0.703-0.877]; phenylalanine, 0.831 (95% CI, 0.750-0.911; and tryptophan, 0.819 (95% CI, 0.739-0.900. The sensitivity and specificity of phenylalanine were 75.5% and 81.4%, respectively, for detection of EGC. A multiple logistic regression analysis showed that high levels of aromatic amino acids in the gastric juice were associated with gastric cancer (adjusted β coefficients ranged from 1.801 to 4.414, P<0.001. CONCLUSION: Increased levels of tyrosine, phenylalanine and tryptophan in the gastric juice samples were detected in the early phase of gastric carcinogenesis. Thus, tyrosine, phenylalanine and tryptophan in gastric juice could be used as biomarkers for the early detection of gastric cancer. A gastric juice analysis is an efficient, economical and convenient method for

  13. Bacterial diversity of a consortium degrading high-molecular-weight polycyclic aromatic hydrocarbons in a two-liquid phase biosystem.

    Science.gov (United States)

    Lafortune, Isabelle; Juteau, Pierre; Déziel, Eric; Lépine, François; Beaudet, Réjean; Villemur, Richard

    2009-04-01

    High-molecular-weight (HMW) polycyclic aromatic hydrocarbons (PAHs) are pollutants that persist in the environment due to their low solubility in water and their sequestration by soil and sediments. Although several PAH-degrading bacterial species have been isolated, it is not expected that a single isolate would exhibit the ability to degrade completely all PAHs. A consortium composed of different microorganisms can better achieve this. Two-liquid phase (TLP) culture systems have been developed to increase the bioavailability of poorly soluble substrates for uptake and biodegradation by microorganisms. By combining a silicone oil-water TLP system with a microbial consortium capable of degrading HMW PAHs, we previously developed a highly efficient PAH-degrading system. In this report, we characterized the bacterial diversity of the consortium with a combination of culture-dependent and culture-independent methods. Polymerase chain reaction (PCR) of part of the 16S ribosomal RNA gene (rDNA) sequences combined with denaturing gradient gel electrophoresis was used to monitor the bacterial population changes during PAH degradation of the consortium when pyrene, chrysene, and benzo[a]pyrene were provided together or separately in the TLP cultures. No substantial changes in bacterial profiles occurred during biodegradation of pyrene and chrysene in these cultures. However, the addition of the low-molecular-weight PAHs phenanthrene or naphthalene in the system favored one bacterial species related to Sphingobium yanoikuyae. Eleven bacterial strains were isolated from the consortium but, interestingly, only one-IAFILS9 affiliated to Novosphingobium pentaromativorans-was capable of growing on pyrene and chrysene as sole source of carbon. A 16S rDNA library was derived from the consortium to identify noncultured bacteria. Among 86 clones screened, 20 were affiliated to different bacterial species-genera. Only three strains were represented in the screened clones. Eighty

  14. Analysis of polynuclear aromatic hydrocarbons in heavy products derived from coal and petroleum by high performance liquid chromatography.

    Science.gov (United States)

    Zhang, Changming; Zhang, Xiaohang; Yang, Jianli; Liu, Zhenyu

    2007-10-12

    A systematic study was made on the identification and quantitative determination of polynuclear aromatic hydrocarbons (PAHs) in heavy products derived from coal and petroleum with high performance liquid chromatography (HPLC). After the separation of PAHs by a high-resolution column, identification was made through four methods: (1) the relative retention time (RRT) method, (2) the stop-flow-UV scanning method, (3) the method of fluorescence characteristic index Phi' and (4) the method of V' index at different UV wavelengths. For the quantitative determination of the components, methods of external standard (E-X), internal standard (I-N) and external standard-response factors (E-F) were compared. The E-F method was recommended by the present paper. For the determination of quantitative response factors (F) two methods were studied, including the HPLC peak-area method (Peak-area method) and the UV absorbance method using a UV spectrometer (absorbance method). The absorbance method was better and is recommended by the present paper. The F values of 30 PAHs from the two different methods are given. The samples analyzed include a coal tar pitch, a thermal cracking residue oil and a residual oil from ethylene production.

  15. Theoretical Study on the Stable Structures and Aromaticities for Pnictogen Dianionic Sb2-4, Bi2-4, and (SbBi)2-2 Clusters

    Institute of Scientific and Technical Information of China (English)

    Xing-bao Wang; Xian-xing Chi

    2009-01-01

    Through the theoretical calculation of structural optimization, vibrational frequencies and atomization energies with one method of density functional theory (B3LYP) and two post-Hartree-Fock approaches (MP2, CCSD(T)), several stable isomers for new three pnictogen dianionic Sb2-4, Bi2-4, and (SbBi)2-2 species were determined. For two homoatomic Sb2-4 and Bi2-4 species, there are three stable isomers: square (D4h), roof-shaped (C2v-1), and C2v-2 structure with the square isomer being the ground state. For the heteroatomic dian-ionic (SbBi)2-2 species, there are also three stable isomers: rhombus (D2h), roof-shaped (C1), and C2v structures with the rhombic isomer being the ground state. The calculated NICS values show that nucleus-independent chemical shifts (NICS) values of roof-shaped isomers for Sb2-4, Bi2-4, and (SbBi)2-2 species are all negative, consequently indicating that these roof-shaped isomers possess aromaticities. NICS values for the planar ring isomers are all positive, suggesting that these three planar ring isomers have antiaromatic characters. The aromaticity for the two stable roof-shaped and square isomers are preliminarily explained and discussed with MO analysis.

  16. Cluster Decay of the High-lying excited states in $^{14}$C

    CERN Document Server

    Tian, Z Y; Li, Z H; Lin, C J; Li, Q T; Ge, Y C; Lou, J L; Jiang, W; Li, J; Yang, Z H; Feng, J; Li, P J; Chen, J; Liu, Q; Zang, H L; Yang, B; Zhang, Y; Chen, Z Q; Liu, Y; Sun, X H; Ma, J; Jia, H M; Xu, X X; Yang, L; Ma, N R; Sun, L J

    2016-01-01

    A cluster-transfer experiment of $^9\\rm{Be}(^9\\rm{Be},^{14}\\rm{C}\\rightarrow\\alpha+^{10}\\rm{Be})\\alpha$ at an incident energy of 45 MeV was carried out in order to investigate the molecular structure in high-lying resonant states in $^{14}$C. This reaction is of extremely large $Q$-value, making it an excellent case to select the reaction mechanism and the final states in outgoing nuclei. The high-lying resonances in $^{14}$C are reconstructed for three sets of well discriminated final states in $^{10}$Be. The results confirm the previous decay measurements with clearly improved decay-channel selections and show also a new state at 23.5(1) MeV. The resonant states at 22.4(3) and 24.0(3) MeV decay primarily into the typical molecular states at about 6 MeV in $^{10}$Be, indicating a well developed cluster structure in these high-lying states in $^{14}$C. Further measurements of more states of this kind are suggested.

  17. Cluster decay of the high-lying excited states in 14C

    Science.gov (United States)

    Tian, Z. Y.; Ye, Y. L.; Li, Z. H.; Lin, C. J.; Li, Q. T.; Ge, Y. C.; Lou, J. L.; Jiang, W.; Li, J.; Yang, Z. H.; Feng, J.; Li, P. J.; Chen, J.; Liu, Q.; Zang, H. L.; Yang, B.; Zhang, Y.; Chen, Z. Q.; Liu, Y.; Sun, X. H.; Ma, J.; Jia, H. M.; Xu, X. X.; Yang, L.; Ma, N. R.; Sun, L. J.

    2016-11-01

    A cluster-transfer experiment of 9Be(9Be,14C → α+10Be)α at an incident energy of 45 MeV was carried out in order to investigate the molecular structure in high-lying resonant states in 14C. This reaction is of extremely large Q-value, making it an excellent case to select the reaction mechanism and the final states in outgoing nuclei. The high-lying resonances in 14C are reconstructed for three sets of well discriminated final states in 10Be. The results confirm the previous decay measurements with clearly improved decay-channel selections and also show a new state at 23.5(1) MeV. The resonant states at 22.4(3) and 24.0(3) MeV decay primarily into the typical molecular states at about 6 MeV in 10Be, indicating a well developed cluster structure in these high-lying states in 14C. Further measurements of more states of this kind are suggested. Supported by the 973 Program of China (2013 CB834402) and National Natural Science Foundation of China (11275011, 11535004)

  18. The XMM Cluster Survey: The build up of stellar mass in Brightest Cluster Galaxies at high redshift

    CERN Document Server

    Stott, J P; Sahlen, M; Hilton, M; Lloyd-Davies, E; Capozzi, D; Hosmer, M; Liddle, A R; Mehrtens, N; Miller, C J; Romer, A K; Stanford, S A; Viana, P T P; Davidson, M; Hoyle, B; Kay, S T; Nichol, R C

    2010-01-01

    We present deep J and Ks band photometry of 20 high redshift galaxy clusters between z=0.8-1.5, 19 of which are observed with the MOIRCS instrument on the Subaru Telescope. By using near-infrared light as a proxy for stellar mass we find the surprising result that the average stellar mass of Brightest Cluster Galaxies (BCGs) has remained constant at ~9e11MSol since z~1.5. We investigate the effect on this result of differing star formation histories generated by three well known and independent stellar population codes and find it to be robust for reasonable, physically motivated choices of age and metallicity. By performing Monte Carlo simulations we find that the result is unaffected by any correlation between BCG mass and cluster mass in either the observed or model clusters. The large stellar masses imply that the assemblage of these galaxies took place at the same time as the initial burst of star formation. This result leads us to conclude that dry merging has had little effect on the average stellar ma...

  19. In silico and experimental methods revealed highly diverse bacteria with quorum sensing and aromatics biodegradation systems--a potential broad application on bioremediation.

    Science.gov (United States)

    Huang, Yili; Zeng, Yanhua; Yu, Zhiliang; Zhang, Jing; Feng, Hao; Lin, Xiuchun

    2013-11-01

    Phylogenetic overlaps between aromatics-degrading bacteria and acyl-homoserine-lactone (AHL) or autoinducer (AI) based quorum-sensing (QS) bacteria were evident in literatures; however, the diversity of bacteria with both activities had never been finely described. In-silico searching in NCBI genome database revealed that more than 11% of investigated population harbored both aromatic ring-hydroxylating-dioxygenase (RHD) gene and AHL/AI-synthetase gene. These bacteria were distributed in 10 orders, 15 families, 42 genus and 78 species. Horizontal transfers of both genes were common among them. Using enrichment and culture dependent method, 6 Sphingomonadales and 4 Rhizobiales with phenanthrene- or pyrene-degrading ability and AHL-production were isolated from marine, wetland and soil samples. Thin-layer-chromatography and gas-chromatography-mass-spectrum revealed that these Sphingomonads produced various AHL molecules. This is the first report of highly diverse bacteria that harbored both aromatics-degrading and QS systems. QS regulation may have broad impacts on aromatics biodegradation, and would be a new angle for developing bioremediation technology.

  20. Long-term performance and stability of a continuous granular airlift reactor treating a high-strength wastewater containing a mixture of aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, Carlos; Suárez-Ojeda, María Eugenia; Carrera, Julián, E-mail: julian.carrera@uab.cat

    2016-02-13

    Highlights: • Aerobic biodegradation of a mixture of aromatics is feasible in a granular reactor. • Applied organic loading rate is a key parameter for an optimal reactor performance. • Stable mature aerobic granules were maintained 400 days in a continuous reactor. • Sphingobium, Cytophaga and Comamonas were the main genera in the aerobic granules. - Abstract: Continuous feeding operation of an airlift reactor and its inoculation with mature aerobic granules allowed the successful treatment of a mixture of aromatic compounds (p-nitrophenol, o-cresol and phenol). Complete biodegradation of p-nitrophenol, o-cresol, phenol and their metabolic intermediates was achieved at an organic loading rate of 0.61 g COD L{sup −1} d{sup −1}. Stable granulation was obtained throughout the long-term operation (400 days) achieving an average granule size of 2.0 ± 1 mm and a sludge volumetric index of 26 ± 1 mL g{sup −1} TSS. The identified genera in the aerobic granular biomass were heterotrophic bacteria able to consume aromatic compounds. Therefore, the continuous feeding regimen and the exposure of aerobic granules to a mixture of aromatic compounds make possible to obtain good granulation and high removal efficiency.

  1. Methodology for Clustering High-Resolution Spatiotemporal Solar Resource Data

    Energy Technology Data Exchange (ETDEWEB)

    Getman, Dan [National Renewable Energy Lab. (NREL), Golden, CO (United States); Lopez, Anthony [National Renewable Energy Lab. (NREL), Golden, CO (United States); Mai, Trieu [National Renewable Energy Lab. (NREL), Golden, CO (United States); Dyson, Mark [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2015-09-01

    In this report, we introduce a methodology to achieve multiple levels of spatial resolution reduction of solar resource data, with minimal impact on data variability, for use in energy systems modeling. The selection of an appropriate clustering algorithm, parameter selection including cluster size, methods of temporal data segmentation, and methods of cluster evaluation are explored in the context of a repeatable process. In describing this process, we illustrate the steps in creating a reduced resolution, but still viable, dataset to support energy systems modeling, e.g. capacity expansion or production cost modeling. This process is demonstrated through the use of a solar resource dataset; however, the methods are applicable to other resource data represented through spatiotemporal grids, including wind data. In addition to energy modeling, the techniques demonstrated in this paper can be used in a novel top-down approach to assess renewable resources within many other contexts that leverage variability in resource data but require reduction in spatial resolution to accommodate modeling or computing constraints.

  2. Determination of Polycyclic Aromatic Hydrocarbons in Tea Infusions Samples by High Performance Liquid Chromatography with Fluorimetric Detection

    Directory of Open Access Journals (Sweden)

    Anna Maria Girelli

    2017-01-01

    Full Text Available This study focuses on the contamination of 15 polycyclic aromatic hydrocarbons (PAHs, recommended by the US Environmental Protection Agency, in 10 tea brands distributed in Italy. Analyses were carried out with a procedure based on saponification, liquid-liquid extraction, and PAHs determination by high performance liquid chromatography with fluorescence detector. A comparison with ultrasonic extraction in bath water was also reported. Contamination is expressed as the sum of analyzed PAHs and ranged between 347 and 4120 ng/L with a mean value of 1675 ng/L. PAHs with 3-4 rings were dominant with a contribution of 92%, while 7% and 1% were found for PAHs with 5 and 6 rings, respectively. Moreover, data revealed that three samples exceeded the EU 2008 criteria established for drinking water in which the sum of benzo[k]fluoranthene, benzo[b]fluoranthene, benzo[g,h,i]perylene, and indeno[1,2,3-cd]pyrene is considered (<100 ng/L and two samples exceeded the 10 ng/L level allowed for benzo[a]pyrene.

  3. Case study of the relationship between fungi and bacteria associated with high-molecular-weight polycyclic aromatic hydrocarbon degradation.

    Science.gov (United States)

    Wang, Shuozhi; Nomura, Nobuhiko; Nakajima, Toshiaki; Uchiyama, Hiroo

    2012-05-01

    Although bacteria play dominant roles in microbial bioremediation, few of them have been reported that were capable of utilizing high-molecular-weight (HMW) organic pollutants as their sole sources of carbon and energy. However, many soil fungi can metabolize those of pollutants, although they rarely complete mineralization. In this paper, we investigated the dynamic relationship between fungi and bacteria associated with degradation of HMW-polycyclic aromatic hydrocarbons (PAHs). Artificial fungal-bacterial mixed cultures were constructed to simulate the environment of actual polluted sites. Four bacterial strains and seven fungal strains were isolated that related to the removal of phenanthrene, fluoranthene and pyrene in the soil. Furthermore, these strains were used to create mixed culture of bacteria (Bact-mix), mixed culture of fungi (Fung-mix), fungal-bacterial co-cultures (Fung-Bact), respectively. The maximal pyrene removal rate (67%, 28days) was observed in the Fung-Bact, compared with cultures of Fung-mix (39%) and Bact-mix (56%). The same tendency was also indicated in the degradation of phenanthrene and fluoranthene. In addition, a dynamic relationship during the degradation process between fungi and bacteria was monitored through using polymerase chain reaction-denaturing gradient gel electrophoresis (PCR-DGGE) method.

  4. Effects of root exudates on gel-beads/reeds combination remediation of high molecular weight polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Tian, Weijun; Zhao, Jing; Zhou, Yuhang; Qiao, Kaili; Jin, Xin; Liu, Qing

    2017-01-01

    Changes in root exudates, including low molecular weight organic acids (LMWOAs), amino acids and sugars, in rhizosphere soils during the gel-beads/reeds combination remediation for high molecular weight polycyclic aromatic hydrocarbons (HMW-PAHs) and the degree of the effects on HMW-PAH biodegradation were evaluated in this study. The results showed that the gel-beads/reeds combination remediation notably increased the removal rates of pyrene, benzo(a)pyrene and indeno(1,2,3-cd)pyrene (65.0-68.9%, 60.0-68.5% and 85.2-85.9%, respectively). During the removal of HMW-PAHs, the LMWOAs, particularly maleic acid, enhanced the biodegradation of HMW-PAHs. Arginine and trehalose monitored in reed root exudates promoted the growth of plants and microorganisms and then improved the removal of HMW-PAHs, especially pyrene. However, the contribution of reed root exudates on degradation of 5- and 6-ring PAHs was minor. These results indicated that the utilization of root exudates was certainly not the only important trait for the removal of HMW-PAHs.

  5. Fenton degradation assisted by cyclodextrins of a high molecular weight polycyclic aromatic hydrocarbon benzo[a]pyrene.

    Science.gov (United States)

    Veignie, Etienne; Rafin, Catherine; Landy, David; Fourmentin, Sophie; Surpateanu, Gheorghe

    2009-09-15

    This paper investigates the effect of native beta-cyclodextrin (beta-CD) and its CD derivatives, such as hydroxypropyl-beta-cyclodextrin (HPBCD) and randomly methylated-beta-cyclodextrin (RAMEB), on the solubilization of a high molecular weight polycyclic aromatic hydrocarbon benzo[a]pyrene (BaP) and on its degradation by Fenton's reaction. The results show that BaP apparent solubility was significantly increased in the presence of cyclodextrin (CD) in the following order: beta-CDcyclodextrin to solubilize BaP. In the presence of a radical scavenger (mannitol), BaP Fenton degradation was inhibited with RAMEB but not in the presence of HPCD. Molecular modelisation was used to visualize the steric complementarity of these host-guest systems. No significant difference of encapsulation between the two modified CDs was observed. Nevertheless, the results suggest a probable existence of a ternary complex HPCD-BaP-iron permitting the generation of hydroxyl radicals in close proximity to BaP. On the basis of these results, it appears that HPCD may be useful for developing targeted BaP degradation system.

  6. Graphene-coated materials using silica particles as a framework for highly efficient removal of aromatic pollutants in water

    Science.gov (United States)

    Yang, Kaijie; Chen, Baoliang; Zhu, Lizhong

    2015-01-01

    The substantial aggregation of pristine graphene nanosheets decreases its powerful adsorption capacity and diminishes its practical applications. To overcome this shortcoming, graphene-coated materials (GCMs) were prepared by loading graphene onto silica nanoparticles (SiO2). With the support of SiO2, the stacked interlamination of graphene was held open to expose the powerful adsorption sites in the interlayers. The adsorption of phenanthrene, a model aromatic pollutant, onto the loaded graphene nanosheets increased up to 100 fold compared with pristine graphene at the same level. The adsorption of GCMs increased with the loading amount of the graphene nanosheets and dramatically decreased with the introduction of oxygen-containing groups in the graphene nanosheets. The highly hydrophobic effect and the strong π-π stacking interactions of the exposed graphene nanosheets contributed to their superior adsorption of GCMs. An unusual GCM peak adsorption coefficient (Kd) was observed with the increase in sorbate concentration. The sorbate concentration at peak Kd shifted to lower values for the reduced graphene oxide and graphene relative to the graphene oxide. Therefore, the replacement of water nanodroplets attached to the graphene nanosheets through weak non-hydrogen bonding with phenanthrene molecules via strong π-π stacking interactions is hypothesized to be an additional adsorption mechanism for GCMs. PMID:26119007

  7. Anaerobic biodegradation of high-molecular-weight polycyclic aromatic hydrocarbons by a facultative anaerobe Pseudomonas sp. JP1.

    Science.gov (United States)

    Liang, Lei; Song, Xiaohui; Kong, Jing; Shen, Chenghui; Huang, Tongwang; Hu, Zhong

    2014-11-01

    Polycyclic aromatic hydrocarbons (PAHs) are harmful persistent organic pollutants, while the high-molecular-weight (HMW) PAHs are even more detrimental to the environment and human health. However, microbial anaerobic degradation of HMW PAHs has rarely been reported. One facultative anaerobe Pseudomonas sp. JP1 was isolated from Shantou Bay, Shantou, China, which could degrade a variety of HMW PAHs. After 40 days cultivation with strain JP1, anaerobic biodegradation rate of benzo[a]pyrene (BaP), fluoranthene, and phenanthrene was 30, 47, and 5 %, respectively. Consumption of nitrate as the electron acceptor was confirmed by N-(1-naphthyl) ethylenediamine spectrophotometry. Supplementation of sodium sulfite, maltose, or glycine, and in a salinity of 0-20 ‰ significantly stimulated anaerobic degradation of BaP. Lastly, the anaerobic degradation metabolites of BaP by strain JP1 were investigated using GC/MS, and the degradation pathway was proposed. This study is helpful for further studies on the mechanism of anaerobic biodegradation of PAHs.

  8. Graphene-coated materials using silica particles as a framework for highly efficient removal of aromatic pollutants in water.

    Science.gov (United States)

    Yang, Kaijie; Chen, Baoliang; Zhu, Lizhong

    2015-06-29

    The substantial aggregation of pristine graphene nanosheets decreases its powerful adsorption capacity and diminishes its practical applications. To overcome this shortcoming, graphene-coated materials (GCMs) were prepared by loading graphene onto silica nanoparticles (SiO2). With the support of SiO2, the stacked interlamination of graphene was held open to expose the powerful adsorption sites in the interlayers. The adsorption of phenanthrene, a model aromatic pollutant, onto the loaded graphene nanosheets increased up to 100 fold compared with pristine graphene at the same level. The adsorption of GCMs increased with the loading amount of the graphene nanosheets and dramatically decreased with the introduction of oxygen-containing groups in the graphene nanosheets. The highly hydrophobic effect and the strong π-π stacking interactions of the exposed graphene nanosheets contributed to their superior adsorption of GCMs. An unusual GCM peak adsorption coefficient (Kd) was observed with the increase in sorbate concentration. The sorbate concentration at peak Kd shifted to lower values for the reduced graphene oxide and graphene relative to the graphene oxide. Therefore, the replacement of water nanodroplets attached to the graphene nanosheets through weak non-hydrogen bonding with phenanthrene molecules via strong π-π stacking interactions is hypothesized to be an additional adsorption mechanism for GCMs.

  9. Degradation and mineralization of high-molecular-weight polycyclic aromatic hydrocarbons by defined fungal-bacterial cocultures

    Energy Technology Data Exchange (ETDEWEB)

    Boonchan, S.; Britz, M.L.; Stanley, G.A.

    2000-03-01

    This study investigated the biodegradation of high-molecular-weight polycyclic aromatic hydrocarbons (PAHs) in liquid media and soil by bacteria (Stenotrophomonas maltophilia VUN 10,010 and bacterial consortium VUN 10,009) and a fungus (Penicillium janthinellum VUO 10,201) that were isolated from separate creosote- and manufactured-gas plant-contaminated soils. The bacteria could use pyrene as their sole carbon and energy source in a basal salts medium (BSM) and mineralized significant amounts of benzo[a]pyrene cometabolically when pyrene was also present in BSM. P. janthinellum VUO 10,201 could not utilize any high-molecular-weight PAH as sole carbon and energy source but could partially degrade these if cultured in a nutrient broth. Although small amounts of chrysene, benz[a]pyrene, and dibenz[a,h]anthracene were degraded by axenic cultures of these isolates in BSM containing a single PAH, such conditions did not support significant microbial growth or PAH mineralization. However, significant degradation of, and microbial growth on, pyrene, chrysene, benz[a]anthracene, benzo[a]pyrene, and dibenz[a,h]anthracene, each as a single PAH in BSM, occurred when P. janthinellum VUO 10,201 and either bacterial consortium VUN 10,009 or S. maltophilia VUN 10,010 were combined in the one culture, i.e., fungal-bacterial cocultures: 25% of the benzo[a]pyrene was mineralized to CO{sub 2} by these cocultures over 49 days, accompanied by transient accumulation and disappearance of intermediates detected by high-pressure liquid chromatography. Inoculation of fungal-bacterial cocultures into PAH-contaminated soil resulted in significantly improved degradation of high-molecular-weight PAHs, benzo[a]pyrene mineralization, and reduction in the mutagenicity of organic soil extracts, compared with the indigenous microbes and soil amended with only axenic inocula.

  10. Degradation and mineralization of high-molecular-weight polycyclic aromatic hydrocarbons by defined fungal-bacterial cocultures.

    Science.gov (United States)

    Boonchan, S; Britz, M L; Stanley, G A

    2000-03-01

    This study investigated the biodegradation of high-molecular-weight polycyclic aromatic hydrocarbons (PAHs) in liquid media and soil by bacteria (Stenotrophomonas maltophilia VUN 10,010 and bacterial consortium VUN 10,009) and a fungus (Penicillium janthinellum VUO 10, 201) that were isolated from separate creosote- and manufactured-gas plant-contaminated soils. The bacteria could use pyrene as their sole carbon and energy source in a basal salts medium (BSM) and mineralized significant amounts of benzo[a]pyrene cometabolically when pyrene was also present in BSM. P. janthinellum VUO 10,201 could not utilize any high-molecular-weight PAH as sole carbon and energy source but could partially degrade these if cultured in a nutrient broth. Although small amounts of chrysene, benz[a]anthracene, benzo[a]pyrene, and dibenz[a,h]anthracene were degraded by axenic cultures of these isolates in BSM containing a single PAH, such conditions did not support significant microbial growth or PAH mineralization. However, significant degradation of, and microbial growth on, pyrene, chrysene, benz[a]anthracene, benzo[a]pyrene, and dibenz[a,h]anthracene, each as a single PAH in BSM, occurred when P. janthinellum VUO 10,201 and either bacterial consortium VUN 10,009 or S. maltophilia VUN 10,010 were combined in the one culture, i.e., fungal-bacterial cocultures: 25% of the benzo[a]pyrene was mineralized to CO(2) by these cocultures over 49 days, accompanied by transient accumulation and disappearance of intermediates detected by high-pressure liquid chromatography. Inoculation of fungal-bacterial cocultures into PAH-contaminated soil resulted in significantly improved degradation of high-molecular-weight PAHs, benzo[a]pyrene mineralization (53% of added [(14)C]benzo[a]pyrene was recovered as (14)CO(2) in 100 days), and reduction in the mutagenicity of organic soil extracts, compared with the indigenous microbes and soil amended with only axenic inocula.

  11. EGRET upper limits on the high-energy gamma-ray emission of galaxy clusters

    CERN Document Server

    Reimer, O; Sreekumar, P; Mattox, J R

    2003-01-01

    We report EGRET upper limits on the high-energy gamma-ray emission from clusters of galaxies. EGRET observations between 1991 and 2000 were analyzed at positions of 58 individual clusters from a flux-limited sample of nearby X-ray bright galaxy clusters. Subsequently, a coadded image from individual galaxy clusters has been analyzed using an adequately adapted diffuse gamma-ray foreground model. The resulting 2 sigma upper limit for the average cluster is \\~ 6 x 10^{-9} cm^{-2} s^{-1} for E > 100 MeV. Implications of the non--detection of prominent individual clusters and of the general inability to detect the X-ray brightest galaxy clusters as a class of gamma-ray emitters are discussed. We compare our results with model predictions on the high-energy gamma-ray emission from galaxy clusters as well as with recent claims of an association between unidentified or unresolved gamma-ray sources and Abell clusters of galaxies and find these contradictory.

  12. Constraining omega from X-ray properties of clusters of galaxies at high redshifts

    DEFF Research Database (Denmark)

    Sadat, R.; Blanchard, A.; Oukbir, J.

    1997-01-01

    Properties of high redshift clusters are a fundamental source of information for cosmology. It has been shown by Oukbir and Blanchard (1997) that the combined knowledge of the redshift distribution of X-ray clusters of galaxies and the luminosity-temperature correlation, L-X - T-X, provides a pow...

  13. Aromatic Methoxylation and Hydroxylation by Organometallic High-Valent Nickel Complexes.

    Science.gov (United States)

    Zhou, Wen; Schultz, Jason W; Rath, Nigam P; Mirica, Liviu M

    2015-06-24

    Herein we report the synthesis and reactivity of several organometallic Ni(III) complexes stabilized by a modified tetradentate pyridinophane ligand containing one phenyl group. A room temperature stable dicationic Ni(III)-disolvento complex was also isolated, and the presence of two available cis coordination sites in this complex offers an opportunity to probe the C-heteroatom bond formation reactivity of high-valent Ni centers. Interestingly, the Ni(III)-dihydroxide and Ni(III)-dimethoxide species can be synthesized, and they undergo aryl methoxylation and hydroxylation that is favored by addition of oxidant, which also limits the β-hydride elimination side reaction. Overall, these results provide strong evidence for the involvement of high-valent organometallic Ni species, possibly both Ni(III) and Ni(IV) species, in oxidatively induced C-heteroatom bond formation reactions.

  14. On the Survival of High-Altitude Open Clusters within the Milky Way Galaxy Tides

    CERN Document Server

    Martinez-Medina, L A; Peimbert, A; Moreno, E

    2016-01-01

    It is a common assumption that high-altitude open clusters live longer compared with clusters moving close to the Galactic plane. This is because at high altitudes, open clusters are far from the disruptive effects of in-plane substructures, such as spiral arms, molecular clouds and the bar. However, an important aspect to consider in this scenario is that orbits of high-altitude open clusters will eventually cross the Galactic plane, where the vertical tidal field of the disk is strong. In this work we simulate the interaction of open clusters with the tidal field of a detailed Milky Way Galactic model at different average altitudes and galactocentric radii. We find that the life expectancy of clusters decreases as the maximum orbital altitude increases and reaches a minimum at altitudes of approximately 600 pc. Clusters near the Galactic plane live longer because they do not experience strong vertical tidal shocks from the Galactic disk; then, for orbital altitudes higher than 600 pc, clusters start again t...

  15. Slow dynamics and high variability in balanced cortical networks with clustered connections.

    Science.gov (United States)

    Litwin-Kumar, Ashok; Doiron, Brent

    2012-11-01

    Anatomical studies demonstrate that excitatory connections in cortex are not uniformly distributed across a network but instead exhibit clustering into groups of highly connected neurons. The implications of clustering for cortical activity are unclear. We studied the effect of clustered excitatory connections on the dynamics of neuronal networks that exhibited high spike time variability owing to a balance between excitation and inhibition. Even modest clustering substantially changed the behavior of these networks, introducing slow dynamics during which clusters of neurons transiently increased or decreased their firing rate. Consequently, neurons exhibited both fast spiking variability and slow firing rate fluctuations. A simplified model shows how stimuli bias networks toward particular activity states, thereby reducing firing rate variability as observed experimentally in many cortical areas. Our model thus relates cortical architecture to the reported variability in spontaneous and evoked spiking activity.

  16. Cross-linked aromatic cationic polymer electrolytes with enhanced stability for high temperature fuel cell applications

    DEFF Research Database (Denmark)

    Ma, Wenjia; Zhao, Chengji; Yang, Jingshuai

    2012-01-01

    Diamine-cross-linked membranes were prepared from cross-linkable poly(arylene ether ketone) containing pendant cationic quaternary ammonium group (QPAEK) solution by a facile and general thermal curing method using 4,4′-diaminodiphenylmethane with rigid framework and 1,6-diaminohexane with flexible...... framework as cross-linker, respectively. Self-cross-linked cationic polymer electrolytes membranes were also prepared for comparison. The diamines were advantageously distributed within the polymeric matrix and its amine function groups interacted with the benzyl bromide of QPAEK, resulting in a double...... that the diamine-cross-linked membranes using the rigid cross-linker show much improved properties than that using the flexible cross-linker. More properties relating to the feasibility in high temperature proton exchange membrane fuel cell applications were investigated in detail....

  17. Oxidation of polycyclic aromatic hydrocarbons using Bacillus subtilis CotA with high laccase activity and copper independence.

    Science.gov (United States)

    Zeng, Jun; Zhu, Qinghe; Wu, Yucheng; Lin, Xiangui

    2016-04-01

    Bacterial laccase CueO from Escherichia coli can oxidize polycyclic aromatic hydrocarbons (PAHs); however, its application in the remediation of PAH-contaminated soil mainly suffers from a low oxidation rate and copper dependence. It was reported that a laccase with a higher redox potential tended to have a higher oxidation rate; thus, the present study investigated the oxidation of PAHs using another bacterial laccase CotA from Bacillus subtilis with a higher redox potential (525 mV) than CueO (440 mV). Recombinant CotA was overexpressed in E. coli and partially purified, exhibiting a higher laccase-specific activity than CueO over a broad pH and temperature range. CotA exhibited moderate thermostability at high temperatures. CotA oxidized PAHs in the absence of exogenous copper. Thereby, secondary heavy metal pollution can be avoided, another advantage of CotA over CueO. Moreover, this study also evaluated some unexplained phenomena in our previous study. It was observed that the oxidation of PAHs with bacterial laccases can be promoted by copper. The partially purified bacterial laccase oxidized only two of the 15 tested PAHs, i.e., anthracene and benzo[a]pyrene, indicating the presence of natural redox mediators in crude cell extracts. Overall, the recombinant CotA oxidizes PAHs with high laccase activity and copper independence, indicating that CotA is a better candidate for the remediation of PAHs than CueO. Besides, the findings here provide a better understanding of the oxidation of PAHs using bacterial laccases. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. EXPERIMENTAL EVIDENCE FOR THE FORMATION OF HIGHLY SUPERHYDROGENATED POLYCYCLIC AROMATIC HYDROCARBONS THROUGH H ATOM ADDITION AND THEIR CATALYTIC ROLE IN H{sub 2} FORMATION

    Energy Technology Data Exchange (ETDEWEB)

    Thrower, J. D.; Jorgensen, B.; Friis, E. E.; Baouche, S.; Luntz, A. C.; Andersen, M.; Hammer, B.; Hornekaer, L. [Department of Physics and Astronomy and Interdisciplinary Nanoscience Center (iNANO), Aarhus University, 8000 Aarhus C (Denmark); Mennella, V., E-mail: thrower@phys.au.dk [Istituto Nazionale di Astrofisica, Osservatorio Astronomico di Capodimonte, Via Moiariello 16, 80131 Napoli (Italy)

    2012-06-10

    Mass spectrometry measurements show the formation of highly superhydrogenated derivatives of the polycyclic aromatic hydrocarbon molecule coronene through H atom addition reactions. The observed product mass distribution provides evidence also for abstraction reactions resulting in H{sub 2} formation, in agreement with recent IR measurements. Complementary density functional theory calculations confirm the stability of the observed superhydrogenated species toward spontaneous H and H{sub 2} loss indicating that abstraction reactions may be the dominant route to H{sub 2} formation involving neutral polycyclic aromatic hydrocarbons (PAHs). The results indicate that highly superhydrogenated PAHs could well be formed and could act as efficient catalysts for H{sub 2} formation in the interstellar medium in low UV flux regions.

  19. Highly Fluorescent Group 13 Metal Complexes with Cyclic, Aromatic Hydroxamic Acid Ligands

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, Michael; Moore, Evan G.; Raymond, Kenneth N.

    2008-02-11

    The neutral complexes of two ligands based on the 1-oxo-2-hydroxy-isoquinoline (1,2-HOIQO) motif with group 13 metals (Al, Ga, In) show bright blue-violet luminescence in organic solvents. The corresponding transition can be attributed to ligand-centered singlet emission, characterized by a small Stokes shifts of only a few nm combined with lifetimes in the range between 1-3 ns. The fluorescence efficiency is high, with quantum yields of up to 37% in benzene solution. The crystal structure of one of the indium(III) complexes (trigonal space group R-3, a = b = 13.0384(15) {angstrom}, c = 32.870(8) {angstrom}, ? = {beta} = 90{sup o}, {gamma} = 120{sup o}, V = 4839.3(14) {angstrom}{sup 3}, Z = 6) shows a six-coordinate geometry around the indium center which is close to trigonal-prismatic, with a twist angle between the two trigonal faces of 20.7{sup o}. Time-dependent density functional theory (TD-DFT) calculations (Al and Ga: B3LYP/6-31G(d)); In: B3LYP/LANL2DZ of the fac and mer isomers with one of the two ligands indicate that there is no clear preference for either one of the isomeric forms of the metal complexes. In addition, the metal centers do not have a significant influence on the electronic structure, and as a consequence, on the predominant intraligand optical transitions.

  20. A multistage mathematical approach to automated clustering of high-dimensional noisy data

    Science.gov (United States)

    Friedman, Alexander; Keselman, Michael D.; Gibb, Leif G.; Graybiel, Ann M.

    2015-01-01

    A critical problem faced in many scientific fields is the adequate separation of data derived from individual sources. Often, such datasets require analysis of multiple features in a highly multidimensional space, with overlap of features and sources. The datasets generated by simultaneous recording from hundreds of neurons emitting phasic action potentials have produced the challenge of separating the recorded signals into independent data subsets (clusters) corresponding to individual signal-generating neurons. Mathematical methods have been developed over the past three decades to achieve such spike clustering, but a complete solution with fully automated cluster identification has not been achieved. We propose here a fully automated mathematical approach that identifies clusters in multidimensional space through recursion, which combats the multidimensionality of the data. Recursion is paired with an approach to dimensional evaluation, in which each dimension of a dataset is examined for its informational importance for clustering. The dimensions offering greater informational importance are given added weight during recursive clustering. To combat strong background activity, our algorithm takes an iterative approach of data filtering according to a signal-to-noise ratio metric. The algorithm finds cluster cores, which are thereafter expanded to include complete clusters. This mathematical approach can be extended from its prototype context of spike sorting to other datasets that suffer from high dimensionality and background activity. PMID:25831512

  1. Shocks and Cool Cores: An ALMA View of Massive Galaxy Cluster Formation at High Redshifts

    Science.gov (United States)

    Basu, Kaustuv

    2017-07-01

    These slides present some recent results on the Sunyaev-Zel'dovich (SZ) effect imaging of galaxy cluster substructures. The advantage of SZ imaging at high redshifts or in the low density cluster outskirts is already well-known. Now with ALMA a combination of superior angular resolution and high sensitivity is available. One example is the first ALMA measurement of a merger shock at z=0.9 in the famous El Gordo galaxy cluster. Here comparison between SZ, X-ray and radio data enabled us to put constraints on the shock Mach number and magnetic field strength for a high-z radio relic. Second example is the ALMA SZ imaging of the core region of z=1.4 galaxy cluster XMMU J2235.2-2557. Here ALMA data provide an accurate measurement of the thermal pressure near the cluster center, and from a joint SZ/X-ray analysis we find clear evidence for a reduced core temperature. This result indicate that a cool core establishes itself early enough in the cluster formation history while the gas accumulation is still continuing. The above two ALMA measurements are among several other recent SZ results that shed light on the formation process of massive clusters at high redshifts.

  2. Application of High Performance Liquid Chromatography to Separation of Novel Chiral Tetrahedral Heterometal Clusters

    Institute of Scientific and Technical Information of China (English)

    Xin Yi ZHU; Wei Qiang ZHANG; Yu Hua ZHANG; Li Ren CHEN; Yong Min LI

    2003-01-01

    A series of novel chiral tetrahedral heterometal clusters have firstly been separated oncellulose tris-(3,5-dimethylphenylcarbamate) stationary phase by high performance liquid chrom-atography, using hexane as the mobile phase with various alcohols as modifiers.

  3. Implementing Simulation Design of Experiments and Remote Execution on a High Performance Computing Cluster

    Science.gov (United States)

    2007-09-01

    Kennard, R. W. & Stone, L.A. (1969). Computer Aided Desing of Experiments . Tecnometrics, 11(1), 137-148. Kleijnen, J. P. (2003). A user’s guide to the...SIMULATION DESIGN OF EXPERIMENTS AND REMOTE EXECUTION ON A HIGH PERFORMANCE COMPUTING CLUSTER by Adam J. Peters September 2007 Thesis...Simulation Design of Experiments and Remote Execution on a High Performance Computing Cluster 6. AUTHOR(S) Adam J. Peters 5. FUNDING NUMBERS 7

  4. A high-speed DAQ framework for future high-level trigger and event building clusters

    Science.gov (United States)

    Caselle, M.; Ardila Perez, L. E.; Balzer, M.; Dritschler, T.; Kopmann, A.; Mohr, H.; Rota, L.; Vogelgesang, M.; Weber, M.

    2017-03-01

    Modern data acquisition and trigger systems require a throughput of several GB/s and latencies of the order of microseconds. To satisfy such requirements, a heterogeneous readout system based on FPGA readout cards and GPU-based computing nodes coupled by InfiniBand has been developed. The incoming data from the back-end electronics is delivered directly into the internal memory of GPUs through a dedicated peer-to-peer PCIe communication. High performance DMA engines have been developed for direct communication between FPGAs and GPUs using "DirectGMA (AMD)" and "GPUDirect (NVIDIA)" technologies. The proposed infrastructure is a candidate for future generations of event building clusters, high-level trigger filter farms and low-level trigger system. In this paper the heterogeneous FPGA-GPU architecture will be presented and its performance be discussed.

  5. The relation between star formation, morphology and local density in high redshift clusters and groups

    CERN Document Server

    Poggianti, Bianca M; Finn, Rose; Bamford, Steven; De Lucia, Gabriella; Varela, Jesus; Aragon-Salamanca, Alfonso; Halliday, Claire; Noll, Stefan; Saglia, Roberto; Zaritsky, Dennis; Best, Philip; Clowe, Douglas; Milvang-Jensen, Bo; Jablonka, Pascale; Pello, Roser; Rudnick, Gregory; Simard, Luc; von der Linden, Anja; White, Simon

    2008-01-01

    We investigate how the [OII] properties and the morphologies of galaxies in clusters and groups at z=0.4-0.8 depend on projected local galaxy density, and compare with the field at similar redshifts and clusters at low-z. In both nearby and distant clusters, higher-density regions contain proportionally fewer star-forming galaxies, and the average [OII] equivalent width of star-forming galaxies is independent of local density. However, in distant clusters the average current star formation rate (SFR) in star-forming galaxies seems to peak at densities ~15-40 galaxies Mpc^{-2}. At odds with low-z results, at high-z the relation between star-forming fraction and local density varies from high- to low-mass clusters. Overall, our results suggest that at high-z the current star formation (SF) activity in star-forming galaxies does not depend strongly on global or local environment, though the possible SFR peak seems at odds with this conclusion. We find that the cluster SFR normalized by cluster mass anticorrelate...

  6. Introduction of π-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane

    NARCIS (Netherlands)

    Li, B.; Zhang, Y.; Krishna, R.; Yao, K.; Han, Y.; Wu, Z.; Ma, D.; Shi, Z.; Pham, T.; Space, B.; Liu, J.; Thallapally, P.K.; Liu, J.; Chrzanowski, M.; Ma, S.

    2014-01-01

    In this work, we demonstrate for the first time the introduction of pi-complexation into a porous aromatic framework (PAF), affording significant increase in ethylene uptake capacity, as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. LAST calculations using

  7. High-Pressure Sorption of Carbon Dioxide and Methane in All-Aromatic Poly(etherimide)-Based Membranes

    NARCIS (Netherlands)

    Ogieglo, Wojciech; Madzarevic, Zeljka P.; Raaijmakers, Michiel; Dingemans, Theo J.; Benes, Nieck Edwin

    2016-01-01

    The sorption of compressed carbon dioxide and methane in a series of all-aromatic poly(etherimide) (PEI) thin films is presented. The polymer films are derived from the reactions between an arylether diamine (P1) and four different dianhydrides [3,30,4,40-oxydiphthalic dianhydride (ODPA), 3,30,4,40

  8. K-Profiles: A Nonlinear Clustering Method for Pattern Detection in High Dimensional Data

    Directory of Open Access Journals (Sweden)

    Kai Wang

    2015-01-01

    Full Text Available With modern technologies such as microarray, deep sequencing, and liquid chromatography-mass spectrometry (LC-MS, it is possible to measure the expression levels of thousands of genes/proteins simultaneously to unravel important biological processes. A very first step towards elucidating hidden patterns and understanding the massive data is the application of clustering techniques. Nonlinear relations, which were mostly unutilized in contrast to linear correlations, are prevalent in high-throughput data. In many cases, nonlinear relations can model the biological relationship more precisely and reflect critical patterns in the biological systems. Using the general dependency measure, Distance Based on Conditional Ordered List (DCOL that we introduced before, we designed the nonlinear K-profiles clustering method, which can be seen as the nonlinear counterpart of the K-means clustering algorithm. The method has a built-in statistical testing procedure that ensures genes not belonging to any cluster do not impact the estimation of cluster profiles. Results from extensive simulation studies showed that K-profiles clustering not only outperformed traditional linear K-means algorithm, but also presented significantly better performance over our previous General Dependency Hierarchical Clustering (GDHC algorithm. We further analyzed a gene expression dataset, on which K-profile clustering generated biologically meaningful results.

  9. New Clustering Method in High-Dimensional Space Based on Hypergraph-Models

    Institute of Scientific and Technical Information of China (English)

    CHEN Jian-bin; WANG Shu-jing; SONG Han-tao

    2006-01-01

    To overcome the limitation of the traditional clustering algorithms which fail to produce meanirigful clusters in high-dimensional, sparseness and binary value data sets, a new method based on hypergraph model is proposed. The hypergraph model maps the relationship present in the original data in high dimensional space into a hypergraph. A hyperedge represents the similarity of attribute-value distribution between two points. A hypergraph partitioning algorithm is used to find a partitioning of the vertices such that the corresponding data items in each partition are highly related and the weight of the hyperedges cut by the partitioning is minimized. The quality of the clustering result can be evaluated by applying the intra-cluster singularity value.Analysis and experimental results have demonstrated that this approach is applicable and effective in wide ranging scheme.

  10. An improved local immunization strategy for scale-free networks with a high degree of clustering

    Science.gov (United States)

    Xia, Lingling; Jiang, Guoping; Song, Yurong; Song, Bo

    2017-01-01

    The design of immunization strategies is an extremely important issue for disease or computer virus control and prevention. In this paper, we propose an improved local immunization strategy based on node's clustering which was seldom considered in the existing immunization strategies. The main aim of the proposed strategy is to iteratively immunize the node which has a high connectivity and a low clustering coefficient. To validate the effectiveness of our strategy, we compare it with two typical local immunization strategies on both real and artificial networks with a high degree of clustering. Simulations on these networks demonstrate that the performance of our strategy is superior to that of two typical strategies. The proposed strategy can be regarded as a compromise between computational complexity and immune effect, which can be widely applied in scale-free networks of high clustering, such as social network, technological networks and so on. In addition, this study provides useful hints for designing optimal immunization strategy for specific network.

  11. Seeding high-redshift QSOs by collisional runaway in primordial star clusters

    Science.gov (United States)

    Katz, Harley; Sijacki, Debora; Haehnelt, Martin G.

    2015-08-01

    We study how runaway stellar collisions in high-redshift, metal-poor star clusters form very massive stars (VMSs) that can directly collapse to intermediate-mass black holes (IMBHs). We follow the evolution of a pair of neighbouring high-redshift mini-haloes with high-resolution, cosmological hydrodynamical zoom-in simulations using the adaptive mesh refinement code RAMSES combined with the non-equilibrium chemistry package KROME. The first collapsing mini-halo is assumed to enrich the central nuclear star cluster (NSC) of the other to a critical metallicity, sufficient for Population II (Pop. II) star formation at redshift z ≈ 27. Using the spatial configuration of the flattened, asymmetrical gas cloud forming in the core of the metal-enriched halo, we set the initial conditions for simulations of an initially non-spherical star cluster with the direct summation code NBODY6 which are compared to about 2000 NBODY6 simulations of spherical star clusters for a wide range of star cluster parameters. The final mass of the VMS that forms depends strongly on the initial mass and initial central density of the NSC. For the initial central densities suggested by our RAMSES simulations, VMSs with mass >400 M⊙ can form in clusters with stellar masses of ≈104 M⊙, and this can increase to well over 1000 M⊙ for more massive and denser clusters. The high probability we find for forming a VMS in these mini-haloes at such an early cosmic time makes collisional runaway of Pop. II star clusters a promising channel for producing large numbers of high-redshift IMBHs that may act as the seeds of supermassive black holes.

  12. The High-Redshift Clusters Occupied by Bent Radio AGN (COBRA) Survey

    CERN Document Server

    Paterno-Mahler, R; Ashby, M L N; Brodwin, M; Wing, J D; Anand, G; Decker, B; Golden-Marx, E

    2016-01-01

    We present 238 high-redshift galaxy cluster candidates based on galaxy overdensities in the Spitzer/IRAC imaging of the fields surrounding 646 bent, double-lobed radio sources drawn from the Clusters Occupied by Bent Radio AGN (COBRA) Survey. The COBRA sources were chosen as objects in the VLA FIRST survey that lack optical counterparts in the Sloan Digital Sky Survey (SDSS) to a limit of $m_r=22$, making them likely to lie at high redshift. This is confirmed by our observations: the redshift distribution of COBRA sources with estimated redshifts peaks near $z=1$, and extends out to $z\\approx3$. Cluster candidates were identified by comparing our sources to a background field and searching for overdensities. Forty-one of these sources are quasars with known spectroscopic redshifts, which may be tracers of some of the most distant clusters known.

  13. Cluster Forests

    CERN Document Server

    Yan, Donghui; Jordan, Michael I

    2011-01-01

    Inspired by Random Forests (RF) in the context of classification, we propose a new clustering ensemble method---Cluster Forests (CF). Geometrically, CF randomly probes a high-dimensional data cloud to obtain "good local clusterings" and then aggregates via spectral clustering to obtain cluster assignments for the whole dataset. The search for good local clusterings is guided by a cluster quality measure $\\kappa$. CF progressively improves each local clustering in a fashion that resembles the tree growth in RF. Empirical studies on several real-world datasets under two different performance metrics show that CF compares favorably to its competitors. Theoretical analysis shows that the $\\kappa$ criterion is shown to grow each local clustering in a desirable way---it is "noise-resistant." A closed-form expression is obtained for the mis-clustering rate of spectral clustering under a perturbation model, which yields new insights into some aspects of spectral clustering.

  14. Systematic investigations on high intense cluster-jet beams for storage ring experiments

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, Esperanza; Hergemoeller, Ann-Katrin; Taeschner, Alexander; Ortjohann, Hans-Werner; Bonaventura, Daniel; Khoukaz, Alfons [Institut fuer Kernphysik, Westfaelische Wilhelms-Universitaet Muenster (Germany)

    2012-07-01

    A high-density cluster-jet target will be one of two planned internal target stations for the PANDA experiment at the antiproton accelerator and storage ring HESR/FAIR. For the investigation of elementary anti pN interactions hydrogen and deuterium are of highest interest as used target material. Cluster-jet targets allow high and constant target densities at the interaction point, i.e. 2 m behind the nozzle, with the possibility of a continuous variation during operation. At the University of Muenster a cluster-jet target prototype was designed, built up and set succesfully into operation. The system is installed in complete PANDA geometry, so that the observed cluster beam characteristics can be directly transferred to the later situation at PANDA. Recent optical investigations on the cluster beam directly behind the nozzle resulted in the observation of distinct density structures when the target is operated at highest densities. The development and installation of a special nozzle tilting system allows for the extraction of these high-intense core beams, leading to a significant improvement of the target density. The performance and achieved densities of cluster beams are presented.

  15. Optimisation of supercritical fluid extraction of polycyclic aromatic hydrocarbons and their nitrated derivatives adsorbed on highly sorptive diesel particulate matter.

    Science.gov (United States)

    Portet-Koltalo, F; Oukebdane, K; Dionnet, F; Desbène, P L

    2009-09-28

    Supercritical fluid extraction (SFE) was performed to extract complex mixtures of polycyclic aromatic hydrocarbons (PAHs), nitrated derivatives (nitroPAHs) and heavy n-alkanes from spiked soot particulates that resulted from the incomplete combustion of diesel oils. This polluted material, resulting from combustion in a light diesel engine and collected at high temperature inside the particulate filter placed just after the engine, was particularly resistant to conventional extraction techniques, such as soxhlet extraction, and had an extraction behaviour that differed markedly from certified reference materials (SRM 1650). A factorial experimental design was performed, simultaneously modelling the influence of four SFE experimental factors on the recovery yields, i.e.: the temperature and the pressure of the supercritical fluid, the nature and the percentage of the organic modifier added to CO(2) (chloroform, tetrahydrofuran, methylene chloride), as a means to reach the optimal extraction yields for all the studied target pollutants. The results of modelling showed that the supercritical fluid pressure had to be kept at its maximum level (30 MPa) and the temperature had to be kept relatively low (75 degrees C). Under these operating conditions, adding 15% of methylene chloride to the CO(2) permitted quantitative extraction of not only light PAHs and their nitrated derivatives, but also heavy n-alkanes from the spiked soots. However, heavy polyaromatics were not quantitatively extracted from the refractory carbonaceous solid surface. As such, original organic modifiers were tested, including pyridine, which, as a strong electron donor cosolvent (15% into CO(2)), was the most successful. The addition of diethylamine to pyridine, which enhanced the electron donor character of the cosolvent, even increased the extraction yields of the heaviest PAHs, leading to a quantitative extraction of all PAHs (more than 79%) from the diesel particulate matter, with detection

  16. High Intensity Femtosecond XUV Pulse Interactions with Atomic Clusters: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Ditmire, Todd [Univ. of Texas, Austin, TX (United States). Center for High Energy Density Science

    2016-10-12

    We propose to expand our recent studies on the interactions of intense extreme ultraviolet (XUV) femtosecond pulses with atomic and molecular clusters. The work described follows directly from work performed under BES support for the past grant period. During this period we upgraded the THOR laser at UT Austin by replacing the regenerative amplifier with optical parametric amplification (OPA) using BBO crystals. This increased the contrast of the laser, the total laser energy to ~1.2 J , and decreased the pulse width to below 30 fs. We built a new all reflective XUV harmonic beam line into expanded lab space. This enabled an increase influence by a factor of 25 and an increase in the intensity by a factor of 50. The goal of the program proposed in this renewal is to extend this class of experiments to available higher XUV intensity and a greater range of wavelengths. In particular we plan to perform experiments to confirm our hypothesis about the origin of the high charge states in these exploding clusters, an effect which we ascribe to plasma continuum lowering (ionization potential depression) in a cluster nano-­plasma. To do this we will perform experiments in which XUV pulses of carefully chosen wavelength irradiate clusters composed of only low-Z atoms and clusters with a mixture of this low-­Z atom with higher Z atoms. The latter clusters will exhibit higher electron densities and will serve to lower the ionization potential further than in the clusters composed only of low Z atoms. This should have a significant effect on the charge states produced in the exploding cluster. We will also explore the transition of explosions in these XUV irradiated clusters from hydrodynamic expansion to Coulomb explosion. The work proposed here will explore clusters of a wider range of constituents, including clusters from solids. Experiments on clusters from solids will be enabled by development we performed during the past grant period in which we constructed and

  17. Quartz Capillary Cladding Anthracene and Polycyclic Aromatic Hydrocarbon(PAH)-Core Scintillating/WLS Fibers for High Rates and Radiation Damage Resistance

    CERN Document Server

    Albayrak-Yetkin, A; Corso, J; Jennings, G; Mestvirisvilli, A; Onel, Y; Schmidt, I; Sanzeni, C; Winn, D R; Yetkin, T

    2013-01-01

    Quartz capillary tube/fibers have been filled with anthracene by a melt and vacuum inbibition process to fabricate a scintillating core fiber. Other polcyclic aromatic hydrocarbons(PAH), such as p-Terphenyl (pTP), stilbene or naphthalene are also well-suited to scintillating/shifting fiber cores. The resulting scintillating core with quartz cladding capillary fibers (250-750 micron cores) had a high specific light output when tested with muons (8 p.e. per MIP). These PAH core quartz capillary cladding scintillating/shifting optical fibers have the potential of high radiation resistance, fast response, and are applicable to many energy and intensity frontier experiments.

  18. High Temperature Membrane with Humidification-Independent Cluster Structure

    Energy Technology Data Exchange (ETDEWEB)

    Lipp, Ludwig [FuelCell Energy, Inc., Danbury, CT (United States)

    2015-07-10

    The objective of this project was to develop high temperature membranes to facilitate the wide-spread deployment of hydrogen fuel cells. High temperature membranes offer significant advantages in PEM system operation, overall capital and operating costs. State-of-the-art Nafion-based membranes are inadequate for the high temperature operation. These conventional membranes become unstable at higher temperatures (90-120°C) and lose their conductivity, particularly at low relative humidity. In this program, alternate materials were developed to enable fabrication of novel high performance composite membranes. FCE’s concept for the multi-component composite membrane, named mC2, has been used in the design of more conductive membranes.

  19. Embedded star clusters as sources of high-energy cosmic rays . Modelling and constraints

    Science.gov (United States)

    Maurin, G.; Marcowith, A.; Komin, N.; Krayzel, F.; Lamanna, G.

    2016-06-01

    Context. Massive stars are mainly found in stellar associations. These massive star clusters occur in the heart of giant molecular clouds. The strong stellar wind activity in these objects generates large bubbles and induces collective effects that could accelerate particles up to high energy and produce γ-rays. The best way to input an acceleration origin to the stellar wind interaction in massive stellar cluster is to observe young massive star clusters in which no supernova explosion has occurred yet. Aims: This work aims to constrain the part of stellar wind mechanical energy that is converted into energetic particles using the sensitivity of the ongoing Fermi-LAT instrument. This work further provides detailed predictions of expected γ-ray fluxes in the view of the on-set of the next generation of imaging atmospheric Cherenkov telescopes. Methods: A one-zone model where energetic particles are accelerated by repeated interactions with strong supersonic shocks occurring in massive star clusters was developed. The particle escape from the star cluster and subsequent interaction with the surrounding dense material and magnetic fields of the HII region was computed. We applied this model to a selection of eight embedded star clusters constricted by existing observations. We evaluated the γ-ray signal from each object, combining both leptonic and hadronic contributions. We searched for these emissions in the Fermi-LAT observations in the energy range from 3 to 300 GeV and compared them to the sensitivity of the Cherenkov Telescope Array (CTA). Results: No significant γ-ray emission from these star clusters has been found. Less than 10% of stellar wind luminosities are supplied to the relativistic particles. Some clusters even show acceleration efficiency of less than 1%. The CTA would be able to detect γ-ray emission from several clusters in the case of an acceleration efficiency of close to one percent.

  20. Construction and test of a high power injector of hydrogen cluster ions

    CERN Document Server

    Becker, E W; Hagena, O F; Henkes, P R W; Klingelhofer, R; Moser, H O; Obert, W; Poth, I

    1979-01-01

    A high power injector of hydrogen cluster ions, rated for 1 MV and 100 kW, is described. The injector is split in three separate tanks connected by a 1 MV transfer line. The cluster ion beam source and all its auxiliary equipment is placed at high voltage, insulated by SF/sub 6/ gas at pressure of 4 bar. The main components of the injector are: The cluster ion beam source with integrated helium cryopumps, the CERN type acceleration tube with 750 mm ID, the beam dump designed to handle the mass and energy flux under DC conditions, a 1 MV high voltage terminal for the auxiliary equipment supplied by its 40 kVA power supply with power, and the 1 MV 120 kW DC high voltage generator. This injector is installed in Karlsruhe. Performance tests were carried out successfully. It is intended to use this injector for refuelling experiments at the ASDEX Tokamak. (12 refs).

  1. Multicomponent mixed dopant optimization for rapid screening of polycyclic aromatic hydrocarbons using ultra high performance liquid chromatography coupled to atmospheric pressure photoionization high-resolution mass spectrometry

    KAUST Repository

    Sioud, Salim

    2012-05-04

    RATIONALE To enhance the ionization efficiencies in atmospheric pressure photoionization mass spectrometry a dopant with favorable ionization energy such as chlorobenzene is typically used. These dopants are typically toxic and difficult to mix with water-soluble organic solvents. In order to achieve a more efficient and less toxic dopant, a multicomponent mixed dopant was explored. METHODS A multicomponent mixed dopant for non-targeted rapid screening of polycyclic aromatic hydrocarbons (PAHs) was developed and optimized using ultra high performance liquid chromatography (UPLC) coupled to atmospheric pressure photoionization high-resolution mass spectrometry. Various single and multicomponent mixed dopants consisting of ethanol, chlorobenzene, bromobenzene, anisole and toluene were evaluated. RESULTS Fourteen out of eighteen PAHs were successfully separated and detected at low pg/μL levels within 5 min with high mass accuracy ≤4 ppm. The optimal mixed multicomponent dopant consisted of ethanol/chlorobenzene/bromobenzene/anisole (98.975:0.1:0.9:0.025, v/v %) and it improved the limit of detection (LOD) by 2- to 10-fold for the tested PAHs compared to those obtained with pure chlorobenzene. CONCLUSIONS A novel multicomponent dopant that contains 99% ethanol and 1% mixture of chlorobenzene, bromobenzene and anisole was found to be an effective dopant mixture to ionize PAHs. The developed UPLC multicomponent dopant assisted atmospheric pressure photoionization high-resolution mass spectrometry offered a rapid non targeted screening method for detecting the PAHs at low pg/;μL levels within a 5 min run time with high mass accuracy a;circ4 ppm. Copyright © 2012 John Wiley & Sons, Ltd.

  2. Embedded star clusters as sources of high-energy cosmic rays: Modelling and constraints

    CERN Document Server

    Maurin, Gilles; Komin, Nukri; Lamanna, Fabien Krayzeland Giovanni

    2016-01-01

    Massive stars are mainly found in stellar associations. These massive star clusters occur in the heart of giant molecular clouds. The strong stellar wind activity in these objects generates large bubbles and induces collective effects that could accelerate particles up to high energy and produce gamma rays. The best way to input an acceleration origin to the stellar wind interaction in massive stellar cluster is to observe young massive star clusters in which no supernova explosion has occurred yet. This work aims to constrain the part of stellar wind mechanical energy that is converted into energetic particles using the sensitivity of the ongoing Fermi/LAT instrument. This work further provides detailed predictions of expected gamma-ray fluxes in the view of the on-set of the next generation of imaging atmospheric Cherenkov telescopes. A one-zone model where energetic particles are accelerated by repeated interactions with strong supersonic shocks occurring in massive star clusters was developed. The particl...

  3. High Performance Commodity Networking in a 512-CPU Teraflop Beowulf Cluster for Computational Astrophysics

    CERN Document Server

    Dubinski, J; Pen, U L; Loken, C; Martin, P; Dubinski, John; Humble, Robin; Loken, Chris; Martin, Peter; Pen, Ue-Li

    2003-01-01

    We describe a new 512-CPU Beowulf cluster with Teraflop performance dedicated to problems in computational astrophysics. The cluster incorporates a cubic network topology based on inexpensive commodity 24-port gigabit switches and point to point connections through the second gigabit port on each Linux server. This configuration has network performance competitive with more expensive cluster configurations and is scaleable to much larger systems using other network topologies. Networking represents only about 9% of our total system cost of USD$561K. The standard Top 500 HPL Linpack benchmark rating is 1.202 Teraflops on 512 CPUs so computing costs by this measure are $0.47/Megaflop. We also describe 4 different astrophysical applications using complex parallel algorithms for studying large-scale structure formation, galaxy dynamics, magnetohydrodynamic flows onto blackholes and planet formation currently running on the cluster and achieving high parallel performance. The MHD code achieved a sustained speed of...

  4. Users matter : multi-agent systems model of high performance computing cluster users.

    Energy Technology Data Exchange (ETDEWEB)

    North, M. J.; Hood, C. S.; Decision and Information Sciences; IIT

    2005-01-01

    High performance computing clusters have been a critical resource for computational science for over a decade and have more recently become integral to large-scale industrial analysis. Despite their well-specified components, the aggregate behavior of clusters is poorly understood. The difficulties arise from complicated interactions between cluster components during operation. These interactions have been studied by many researchers, some of whom have identified the need for holistic multi-scale modeling that simultaneously includes network level, operating system level, process level, and user level behaviors. Each of these levels presents its own modeling challenges, but the user level is the most complex due to the adaptability of human beings. In this vein, there are several major user modeling goals, namely descriptive modeling, predictive modeling and automated weakness discovery. This study shows how multi-agent techniques were used to simulate a large-scale computing cluster at each of these levels.

  5. Too big, too early? Multiple High-Redshift Galaxy Clusters: implications

    CERN Document Server

    Hoyle, Ben; Verde, Licia

    2010-01-01

    To date, 15 high-redshift (z>1.0) galaxy clusters with mass measurements have been observed, spectroscopically confirmed and are reported in the literature. These objects should be exceedingly rare in the standard LCDM model. We conservatively approximate the selection functions of these clusters' parent surveys, and quantify the tension between the abundances of massive clusters as predicted by the standard LCDM model and the observed ones. We alleviate the tension considering non-Gaussian primordial perturbations of the local type, characterized by the parameter fnl and derive constraints on fnl arising from the mere existence of these clusters. At the 95% confidence level, fnl>475 with cosmological parameters fixed to their most likely WMAP5 values, or fnl>370 if we marginalize over WMAP5 parameters priors. In combination with fnl constraints from Cosmic Microwave Background and halo bias, this determination implies a scale-dependence of fnl at 3 sigma. Given the assumptions made in the analysis, we expect...

  6. Study of galaxy cluster properties from high-resolution SPH simulations

    CERN Document Server

    Yepes, G; Gottlöber, S; Müller, V

    2003-01-01

    We present some of the results of an ongoing collaboration to sudy the dynamical properties of galaxy clusters by means of high resolution adiabatic SPH cosmological simulations. Results from our numerical clusters have been tested against analytical models often used in X-ray observations: $\\beta$ model (isothermal and polytropic) and those based on universal dark matter profiles. We find a universal temperature profile, in agreement with AMR gasdynamical simulations of galaxy clusters. Temperature decreases by a factor 2-3 from the center to virial radius. Therefore, isothermal models (e.g. $\\beta$ model) give a very poor fit to simulated data. Moreover, gas entropy profiles deviate from a power law near the center, which is also in very good agreement with independent AMR simulations. Thus, if future X-ray observations confirm that gas in clusters has an extended isothermal core, then non-adiabatic physics would be required in order to explain it.

  7. Plasmon assisted synthesis of highly fluorescing silver quantum cluster/polymer composites for biochemical sensing

    DEFF Research Database (Denmark)

    Bernard, S.; Kutter, J. P.; Mogensen, K. B.

    2014-01-01

    Plasmonics is combined with polymer synthesis for rapid fabrication of highly fluorescing silver quantum cluster/polymer composites inside microfluidic channels. UV-light assisted synthesis of polymers has been investigated by a number of groups previously [1], however, plasmon assisted synthesis...... has not been presented before. This should allow highly localized fabrication of porous polymers that are defined by the location of the nanoplasmonic metal film. Silver quantum clusters (AgQCs) consisting of 2-10 atoms can be highly fluorescing in the visible wavelength range and possess a greater...

  8. Plasmon assisted synthesis of highly fluorescing silver quantum cluster / polymer composites for biochemical sensing

    DEFF Research Database (Denmark)

    Bernard, S.; Kutter, J.P.; Mogensen, Klaus Bo

    2014-01-01

    has not been presented before. This should allow highly localized fabrication of porous polymers that are defined by the location of the nanoplasmonic metal film. Silver quantum clusters (AgQCs) consisting of 2-10 atoms can be highly fluorescing in the visible wavelength range and possess a much......Plasmonics is combined with polymer synthesis for rapid fabrication of highly fluorescing silver quantum cluster / polymer composites inside microfluidic channels. UV-light assisted synthesis of polymers has been investigated by a number of groups previously [1], however, plasmon assisted synthesis...

  9. Improving the Eco-Efficiency of High Performance Computing Clusters Using EECluster

    Directory of Open Access Journals (Sweden)

    Alberto Cocaña-Fernández

    2016-03-01

    Full Text Available As data and supercomputing centres increase their performance to improve service quality and target more ambitious challenges every day, their carbon footprint also continues to grow, and has already reached the magnitude of the aviation industry. Also, high power consumptions are building up to a remarkable bottleneck for the expansion of these infrastructures in economic terms due to the unavailability of sufficient energy sources. A substantial part of the problem is caused by current energy consumptions of High Performance Computing (HPC clusters. To alleviate this situation, we present in this work EECluster, a tool that integrates with multiple open-source Resource Management Systems to significantly reduce the carbon footprint of clusters by improving their energy efficiency. EECluster implements a dynamic power management mechanism based on Computational Intelligence techniques by learning a set of rules through multi-criteria evolutionary algorithms. This approach enables cluster operators to find the optimal balance between a reduction in the cluster energy consumptions, service quality, and number of reconfigurations. Experimental studies using both synthetic and actual workloads from a real world cluster support the adoption of this tool to reduce the carbon footprint of HPC clusters.

  10. A highly efficient multi-core algorithm for clustering extremely large datasets

    Directory of Open Access Journals (Sweden)

    Kraus Johann M

    2010-04-01

    Full Text Available Abstract Background In recent years, the demand for computational power in computational biology has increased due to rapidly growing data sets from microarray and other high-throughput technologies. This demand is likely to increase. Standard algorithms for analyzing data, such as cluster algorithms, need to be parallelized for fast processing. Unfortunately, most approaches for parallelizing algorithms largely rely on network communication protocols connecting and requiring multiple computers. One answer to this problem is to utilize the intrinsic capabilities in current multi-core hardware to distribute the tasks among the different cores of one computer. Results We introduce a multi-core parallelization of the k-means and k-modes cluster algorithms based on the design principles of transactional memory for clustering gene expression microarray type data and categorial SNP data. Our new shared memory parallel algorithms show to be highly efficient. We demonstrate their computational power and show their utility in cluster stability and sensitivity analysis employing repeated runs with slightly changed parameters. Computation speed of our Java based algorithm was increased by a factor of 10 for large data sets while preserving computational accuracy compared to single-core implementations and a recently published network based parallelization. Conclusions Most desktop computers and even notebooks provide at least dual-core processors. Our multi-core algorithms show that using modern algorithmic concepts, parallelization makes it possible to perform even such laborious tasks as cluster sensitivity and cluster number estimation on the laboratory computer.

  11. ON THE ORIGIN OF HIGH-ALTITUDE OPEN CLUSTERS IN THE MILKY WAY

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Medina, L. A.; Pichardo, B.; Moreno, E.; Peimbert, A. [Instituto de Astronomía, Universidad Nacional Autónoma de México, A.P. 70-264, 04510, México, D.F., México (Mexico); Velazquez, H., E-mail: lamartinez@astro.unam.mx [Instituto de Astronomía, Universidad Nacional Autónoma de México, Apartado Postal 877, 22860 Ensenada, B.C., México (Mexico)

    2016-01-20

    We present a dynamical study of the effect of the bar and spiral arms on the simulated orbits of open clusters in the Galaxy. Specifically, this work is devoted to the puzzling presence of high-altitude open clusters in the Galaxy. For this purpose we employ a very detailed observationally motivated potential model for the Milky Way and a careful set of initial conditions representing the newly born open clusters in the thin disk. We find that the spiral arms are able to raise an important percentage of open clusters (about one-sixth of the total employed in our simulations, depending on the structural parameters of the arms) above the Galactic plane to heights beyond 200 pc, producing a bulge-shaped structure toward the center of the Galaxy. Contrary to what was expected, the spiral arms produce a much greater vertical effect on the clusters than the bar, both in quantity and height; this is due to the sharper concentration of the mass on the spiral arms, when compared to the bar. When a bar and spiral arms are included, spiral arms are still capable of raising an important percentage of the simulated open clusters through chaotic diffusion (as tested from classification analysis of the resultant high-z orbits), but the bar seems to restrain them, diminishing the elevation above the plane by a factor of about two.

  12. Global survey of star clusters in the Milky Way III. 139 new open clusters at high Galactic latitudes

    CERN Document Server

    Schmeja, S; Piskunov, A E; Röser, S; Schilbach, E; Froebrich, D; Scholz, R -D

    2014-01-01

    An earlier analysis of the Milky Way Star Cluster (MWSC) catalogue revealed an apparent lack of old (> 1 Gyr) open clusters in the solar neighbourhood ( 20{\\deg}. We were looking for stellar density enhancements using a star count algorithm on the 2MASS point source catalogue. To increase the contrast between potential clusters and the field, we applied filters in colour-magnitude space according to typical colour-magnitude diagrams of nearby old open clusters. The subsequent comparison with lists of known objects allowed us to select thus far unknown cluster candidates. For verification they were processed with the standard pipeline used within the MWSC survey for computing cluster membership probabilities and for determining structural, kinematic, and astrophysical parameters. In total we discovered 782 density enhancements, 522 of which were classified as real objects. Among them 139 are new open clusters with ages 8.3 < log (t [yr]) < 9.7, distances d < 3 kpc, and distances from the Galactic plan...

  13. High dimensional model representation (HDMR) with clustering for image retrieval

    Science.gov (United States)

    Karcılı, Ayşegül; Tunga, Burcu

    2017-01-01

    Image retrieval continues to hold an important place in today's extremely fast growing technology. In this field, the accurate image retrieval with high speed is critical. In this study, to achieve this important issue we developed a novel method with the help of High Dimensional Model Representation (HDMR) philosophy. HDMR is a decomposition method used to solve different scientific problems. To test the performance of the new method we used Columbia Object Image Library (COIL100) and obtained the encouraging results. These results are given in the findings section.

  14. A new method to search for high-redshift clusters using photometric redshifts

    Energy Technology Data Exchange (ETDEWEB)

    Castignani, G.; Celotti, A. [SISSA, Via Bonomea 265, I-34136 Trieste (Italy); Chiaberge, M.; Norman, C., E-mail: castigna@sissa.it [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States)

    2014-09-10

    We describe a new method (Poisson probability method, PPM) to search for high-redshift galaxy clusters and groups by using photometric redshift information and galaxy number counts. The method relies on Poisson statistics and is primarily introduced to search for megaparsec-scale environments around a specific beacon. The PPM is tailored to both the properties of the FR I radio galaxies in the Chiaberge et al. sample, which are selected within the COSMOS survey, and to the specific data set used. We test the efficiency of our method of searching for cluster candidates against simulations. Two different approaches are adopted. (1) We use two z ∼ 1 X-ray detected cluster candidates found in the COSMOS survey and we shift them to higher redshift up to z = 2. We find that the PPM detects the cluster candidates up to z = 1.5, and it correctly estimates both the redshift and size of the two clusters. (2) We simulate spherically symmetric clusters of different size and richness, and we locate them at different redshifts (i.e., z = 1.0, 1.5, and 2.0) in the COSMOS field. We find that the PPM detects the simulated clusters within the considered redshift range with a statistical 1σ redshift accuracy of ∼0.05. The PPM is an efficient alternative method for high-redshift cluster searches that may also be applied to both present and future wide field surveys such as SDSS Stripe 82, LSST, and Euclid. Accurate photometric redshifts and a survey depth similar or better than that of COSMOS (e.g., I < 25) are required.

  15. Graphene stabilized ultra-small CuNi nanocomposite with high activity and recyclability toward catalysing the reduction of aromatic nitro-compounds

    Science.gov (United States)

    Fang, Hao; Wen, Ming; Chen, Hanxing; Wu, Qingsheng; Li, Weiying

    2015-12-01

    Nowadays, it is of great significance and a challenge to design a noble-metal-free catalyst with high activity and a long lifetime for the reduction of aromatic nitro-compounds. Here, a 2D structured nanocomposite catalyst with graphene supported CuNi alloy nanoparticles (NPs) is prepared, and is promising for meeting the requirements of green chemistry. In this graphene/CuNi nanocomposite, the ultra-small CuNi nanoparticles (~2 nm) are evenly anchored on graphene sheets, which is not only a breakthrough in the structures, but also brings about an outstanding performance in activity and stability. Combined with a precise optimization of the alloy ratios, the reaction rate constant of graphene/Cu61Ni39 reached a high level of 0.13685 s-1, with a desirable selectivity as high as 99% for various aromatic nitro-compounds. What's more, the catalyst exhibited a unprecedented long lifetime because it could be recycled over 25 times without obvious performance decay or even a morphology change. This work showed the promise and great potential of noble-metal-free catalysts in green chemistry.Nowadays, it is of great significance and a challenge to design a noble-metal-free catalyst with high activity and a long lifetime for the reduction of aromatic nitro-compounds. Here, a 2D structured nanocomposite catalyst with graphene supported CuNi alloy nanoparticles (NPs) is prepared, and is promising for meeting the requirements of green chemistry. In this graphene/CuNi nanocomposite, the ultra-small CuNi nanoparticles (~2 nm) are evenly anchored on graphene sheets, which is not only a breakthrough in the structures, but also brings about an outstanding performance in activity and stability. Combined with a precise optimization of the alloy ratios, the reaction rate constant of graphene/Cu61Ni39 reached a high level of 0.13685 s-1, with a desirable selectivity as high as 99% for various aromatic nitro-compounds. What's more, the catalyst exhibited a unprecedented long lifetime

  16. Swarm v2: highly-scalable and high-resolution amplicon clustering.

    Science.gov (United States)

    Mahé, Frédéric; Rognes, Torbjørn; Quince, Christopher; de Vargas, Colomban; Dunthorn, Micah

    2015-01-01

    Previously we presented Swarm v1, a novel and open source amplicon clustering program that produced fine-scale molecular operational taxonomic units (OTUs), free of arbitrary global clustering thresholds and input-order dependency. Swarm v1 worked with an initial phase that used iterative single-linkage with a local clustering threshold (d), followed by a phase that used the internal abundance structures of clusters to break chained OTUs. Here we present Swarm v2, which has two important novel features: (1) a new algorithm for d = 1 that allows the computation time of the program to scale linearly with increasing amounts of data; and (2) the new fastidious option that reduces under-grouping by grafting low abundant OTUs (e.g., singletons and doubletons) onto larger ones. Swarm v2 also directly integrates the clustering and breaking phases, dereplicates sequencing reads with d = 0, outputs OTU representatives in fasta format, and plots individual OTUs as two-dimensional networks.

  17. Plasmon assisted synthesis of highly fluorescing silver quantum cluster/polymer composites for biochemical sensing

    DEFF Research Database (Denmark)

    Bernard, S.; Kutter, J. P.; Mogensen, K. B.

    2014-01-01

    has not been presented before. This should allow highly localized fabrication of porous polymers that are defined by the location of the nanoplasmonic metal film. Silver quantum clusters (AgQCs) consisting of 2-10 atoms can be highly fluorescing in the visible wavelength range and possess a greater......Plasmonics is combined with polymer synthesis for rapid fabrication of highly fluorescing silver quantum cluster/polymer composites inside microfluidic channels. UV-light assisted synthesis of polymers has been investigated by a number of groups previously [1], however, plasmon assisted synthesis...... photostability than organic fluorophores [2]. In this work AgQCs are embedded into the oligoaniline porous matrix and is tested for indirect fluorescence detection of cyanide in a simple microfluidic device (Fig. 1). Imaging of individual silver clusters inside the channel (Fig. 1) is made possible by using 100x...

  18. Relics in galaxy clusters at high radio frequencies

    Science.gov (United States)

    Mikolaitis, Š.; de Laverny, P.; Recio-Blanco, A.; Hill, V.; Worley, C. C.; de Pascale, M.

    2017-03-01

    Context. The pattern of chemical abundance ratios in stellar populations of the Milky Way is a fingerprint of the Galactic chemical history. In order to interpret such chemical fossils of Galactic archaeology, chemical evolution models have to be developed. However, despite the complex physics included in the most recent models, significant discrepancies between models and observations are widely encountered. Aims: The aim of this paper is to characterise the abundance patterns of five iron-peak elements (Mn, Fe, Ni, Cu, and Zn) for which the stellar origin and chemical evolution are still debated. Methods: We automatically derived iron peak (Mn, Fe, Ni, Cu, and Zn) and α element (Mg) chemical abundances for 4666 stars, adopting classical LTE spectral synthesis and 1D atmospheric models. Our observational data collection is composed of high-resolution, high signal-to-noise ratios HARPS and FEROS spectra, which were previously parametrised by the AMBRE project. Results: We used the bimodal distribution of the magnesium-to-iron abundance ratios to chemically classify our sample stars into different Galactic substructures: thin disc, metal-poor and high-α metal rich, high-α, and low-α metal-poor populations. Both high-α and low-α metal-poor populations are fully distinct in Mg, Cu, and Zn, but these substructures are statistically indistinguishable in Mn and Ni. Thin disc trends of [Ni/Fe] and [Cu/Fe] are very similar and show a small increase at supersolar metallicities. Also, both thin and thick disc trends of Ni and Cu are very similar and indistinguishable. Yet, Mn looks very different from Ni and Cu. [Mn/Fe] trends of thin and thick discs actually have noticeable differences: the thin disc is slightly Mn richer than the thick disc. The [Zn/Fe] trends look very similar to those of [α/Fe] trends. The typical dispersion of results in both discs is low (≈0.05 dex for [Mg, Mn, and Cu/Fe]) and is even much lower for [Ni/Fe] (≈0.035 dex). Conclusions: It is

  19. Sequencing rare marine actinomycete genomes reveals high density of unique natural product biosynthetic gene clusters.

    Science.gov (United States)

    Schorn, Michelle A; Alanjary, Mohammad M; Aguinaldo, Kristen; Korobeynikov, Anton; Podell, Sheila; Patin, Nastassia; Lincecum, Tommie; Jensen, Paul R; Ziemert, Nadine; Moore, Bradley S

    2016-12-01

    Traditional natural product discovery methods have nearly exhausted the accessible diversity of microbial chemicals, making new sources and techniques paramount in the search for new molecules. Marine actinomycete bacteria have recently come into the spotlight as fruitful producers of structurally diverse secondary metabolites, and remain relatively untapped. In this study, we sequenced 21 marine-derived actinomycete strains, rarely studied for their secondary metabolite potential and under-represented in current genomic databases. We found that genome size and phylogeny were good predictors of biosynthetic gene cluster diversity, with larger genomes rivalling the well-known marine producers in the Streptomyces and Salinispora genera. Genomes in the Micrococcineae suborder, however, had consistently the lowest number of biosynthetic gene clusters. By networking individual gene clusters into gene cluster families, we were able to computationally estimate the degree of novelty each genus contributed to the current sequence databases. Based on the similarity measures between all actinobacteria in the Joint Genome Institute's Atlas of Biosynthetic gene Clusters database, rare marine genera show a high degree of novelty and diversity, with Corynebacterium, Gordonia, Nocardiopsis, Saccharomonospora and Pseudonocardia genera representing the highest gene cluster diversity. This research validates that rare marine actinomycetes are important candidates for exploration, as they are relatively unstudied, and their relatives are historically rich in secondary metabolites.

  20. A new method to search for high redshift clusters using photometric redshifts

    CERN Document Server

    Castignani, Gianluca; Celotti, Annalisa; Norman, Colin

    2014-01-01

    We describe a new method (Poisson Probability Method, PPM) to search for high redshift galaxy clusters and groups by using photometric redshift information and galaxy number counts. The method relies on Poisson statistics and is primarily introduced to search for Mpc-scale environments around a specific beacon. The PPM is tailored to both the properties of the FR I radio galaxies in the Chiaberge et al. (2009) sample, that are selected within the COSMOS survey, and on the specific dataset used. We test the efficiency of our method of searching for cluster candidates against simulations. Two different approaches are adopted. i) We use two z~1 X-ray detected cluster candidates found in the COSMOS survey and we shift them to higher redshift up to z=2. We find that the PPM detects the cluster candidates up to z=1.5, and it correctly estimates both the redshift and size of the two clusters. ii) We simulate spherically symmetric clusters of different size and richness, and we locate them at different redshifts (i.e...

  1. Visualization and unsupervised predictive clustering of high-dimensional multimodal neuroimaging data.

    Science.gov (United States)

    Mwangi, Benson; Soares, Jair C; Hasan, Khader M

    2014-10-30

    Neuroimaging machine learning studies have largely utilized supervised algorithms - meaning they require both neuroimaging scan data and corresponding target variables (e.g. healthy vs. diseased) to be successfully 'trained' for a prediction task. Noticeably, this approach may not be optimal or possible when the global structure of the data is not well known and the researcher does not have an a priori model to fit the data. We set out to investigate the utility of an unsupervised machine learning technique; t-distributed stochastic neighbour embedding (t-SNE) in identifying 'unseen' sample population patterns that may exist in high-dimensional neuroimaging data. Multimodal neuroimaging scans from 92 healthy subjects were pre-processed using atlas-based methods, integrated and input into the t-SNE algorithm. Patterns and clusters discovered by the algorithm were visualized using a 2D scatter plot and further analyzed using the K-means clustering algorithm. t-SNE was evaluated against classical principal component analysis. Remarkably, based on unlabelled multimodal scan data, t-SNE separated study subjects into two very distinct clusters which corresponded to subjects' gender labels (cluster silhouette index value=0.79). The resulting clusters were used to develop an unsupervised minimum distance clustering model which identified 93.5% of subjects' gender. Notably, from a neuropsychiatric perspective this method may allow discovery of data-driven disease phenotypes or sub-types of treatment responders. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Fast analysis of 29 polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs with ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry

    OpenAIRE

    Shih-Chun Candice Lung; Chun-Hu Liu

    2015-01-01

    Polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs are ubiquitous in the environment. Some of them are probable carcinogens and some are source markers. This work presents an ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry (UHPLC-APPI-MS/MS) method for simultaneous analysis of 20 PAHs and nine nitro-PAHs. These compounds are separated in 15 minutes in the positive mode and 11 minutes in the negative mode, one half of GC/MS analysi...

  3. Determination of Trace Amount of Polycyclic Aromatic Hydrocarbons in Urban Sewage by Solid-phase Extraction Coupled with High Performance Liquid Chromatograph

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    [Method] This study aimed to determine trace amount of polycyclic aromatic hydrocarbons(PAHs) in urban sewage by using solid-phase extraction(SPE) coupled with high performance liquid chromatograph(HPLC).[Method] From the aspects of solid-phase extraction column,elution solvent,elution volume,elution speed and so forth,the test conditions of SPE-HPLC method were optimized,and trace amount of PAHs in urban sewage was determined.[Result] The optimized solid-phase extraction conditions were SUPELCLEAN LC-18 so...

  4. Achieving high performance electric field induced strain: a rational design of hyperbranched aromatic polyamide functionalized graphene-polyurethane dielectric elastomer composites.

    Science.gov (United States)

    Chen, Tian; Qiu, Jinhao; Zhu, Kongjun; Li, Jinhuan; Wang, Jingwen; Li, Shuqin; Wang, Xiaoliang

    2015-03-26

    Dielectric elastomers have great potentials as flexible actuators in micro-electromechanical systems (MEMS) due to their large deformation, light weight, mechanical compliancy, and low cost. The low dielectric constant of these elastomers requires a rather high voltage electric field, which has greatly limited their applications. In this work, a diaphragm-type flexible microactuator comprising a hyperbranched aromatic polyamide functionalized graphene (HAPFG) filler embedded into the polyurethane (PU) dielectric elastomer matrix is described. The rational designed HAPFG sheets exhibits uniform dispersion in PU matrix and strong adhesion with the matrix by hydrogen-bond coupling. Consequently, the HAPFG-PU composites possess high dielectric performance and low loss modulus. The effect of hyperbranched aromatic polyamide functionalized graphene on high voltage electric field induced strain was experimentally investigated using the Fotonic sensor. The high electric field response of the composite was discussed by applying different kinds of alternating-current field. In addition, a comparison of the breakdown strength between the HAPFG-PU composite and the pure PU was carried out.

  5. Seeding High Redshift QSOs by Collisional Runaway in Primordial Star Clusters

    CERN Document Server

    Katz, Harley; Haehnelt, Martin G

    2015-01-01

    We study how runaway stellar collisions in high redshift, metal poor star clusters form very massive stars (VMSs) that can directly collapse to intermediate mass black holes (IMBHs). We follow the evolution of a pair of two neighboring high-redshift mini-halos which are expected to host central nuclear star clusters (NSCs) with very high resolution, cosmological hydrodynamical zoom-in simulations with the adaptive mesh refinement code RAMSES. One of the two mini-halos enriches the central NSC of the other mini-halo to a critical metallicity, sufficient for Pop. II star formation at redshift z~27. We then use the spatial configuration of the flattened, asymmetrical gas cloud forming in the RAMSES simulations at the core of the metal enriched halo to set the initial conditions for simulations of an initially non-spherical star cluster with the direct summation code NBODY6 which are compared to about 2000 NBODY6 simulations of spherical star clusters for a wide range of star cluster parameters. In this way we es...

  6. Knowledge spillover and high-tech industry cluster: A literature review

    Science.gov (United States)

    Qian, Shen

    2017-04-01

    Knowledge spillover is one of the incentive forces for companies using more expenditure on R&D to shape cluster. This paper summarizes and reviews academic research literature from three aspects, of which contain the connotation of knowledge spillover in high-tech industry cluster, conduction mode of knowledge spillover effect in high-tech industry and explain factors of knowledge spillover effect. This paper devotes by assembling anterior divergent tributaries of works to assist in illuminating on this prosperous research area, based on previous research, and finally it notes that future research needs to pay attention to several aspects.

  7. Basmati aromatic rice genotypes of India using microsatellite markers

    African Journals Online (AJOL)

    Administrator

    Aromatic rice is preferred by consumers all over the world due to its flavor and palatability. ... A dendrogram based on cluster analysis by microsatellite polymorphism grouped all the ..... and Basmati 370) showed a higher degree of similarity.

  8. Fluorinated aromatic diamine

    Science.gov (United States)

    Jones, Robert J. (Inventor); O'Rell, Michael K. (Inventor); Hom, Jim M. (Inventor)

    1980-01-01

    This invention relates to a novel aromatic diamine and more particularly to the use of said diamine for the preparation of thermally stable high-molecular weight polymers including, for example, polyamides, polyamideimides, polyimides, and the like. This diamine is obtained by reacting a stoichometric amount of a disodium salt of 2,2-bis(4-hydroxyphenyl) hexafluoropropane with 4-chloronitrobenzene to obtain an intermediate, 2,2-bis[4-(4-nitrophenoxy)phenyl] hexafluoropropane, which is reduced to the corresponding 2,2-bis[4-(4-aminophenoxy)phenyl] hexafluoropropane.

  9. High Energy Neutrino Emission Induced by Ultrahigh Energy Nuclei in Cluster Accretion Shocks

    Science.gov (United States)

    Fang, Ke; Olinto, Angela

    2014-03-01

    Accretion shocks in clusters of galaxies can potentially accelerate protons to above 1017 eV and nuclei to ultrahigh energies. High energy neutrinos are produced when these cosmic rays interact with baryons of the massive cluster, or with CMB photons during their extragalactic propagation. In light of the recent IceCube discovery of TeV-PeV neutrinos, we calculate the neutrino emissions from accretion shocks, using a complete numerical propagation method and calibrated based on precision ΛCDM simulation. We pin down the uncertainty and degeneracy in source parameters by taking into account the cosmological evolution of cluster mass, density profiles, velocity dispersions, along with the gravitational gas accretion rates. We find that the neutrino spectrum is distinct from E-2 after considering the cluster mass function which impact both maximum energy and luminosity of the accelerated cosmic rays. We compare the cumulative neutrino flux to sensitivities of the existing and future high energy neutrino observatories. We also discuss the implication of our results on the scenario of cluster accretion shocks being the sources of ultrahigh energy cosmic rays.

  10. Grid-Enabled High Energy Physics Research using a Beowulf Cluster

    Science.gov (United States)

    Mahmood, Akhtar

    2005-04-01

    At Edinboro University of Pennsylvania, we have built a 8-node 25 Gflops Beowulf Cluster with 2.5 TB of disk storage space to carry out grid-enabled, data-intensive high energy physics research for the ATLAS experiment via Grid3. We will describe how we built and configured our Cluster, which we have named the Sphinx Beowulf Cluster. We will describe the results of our cluster benchmark studies and the run-time plots of several parallel application codes. Once fully functional, the Cluster will be part of Grid3[www.ivdgl.org/grid3]. The current ATLAS simulation grid application, models the entire physical processes from the proton anti-proton collisions and detector's response to the collision debri through the complete reconstruction of the event from analyses of these responses. The end result is a detailed set of data that simulates the real physical collision event inside a particle detector. Grid is the new IT infrastructure for the 21^st century science -- a new computing paradigm that is poised to transform the practice of large-scale data-intensive research in science and engineering. The Grid will allow scientist worldwide to view and analyze huge amounts of data flowing from the large-scale experiments in High Energy Physics. The Grid is expected to bring together geographically and organizationally dispersed computational resources, such as CPUs, storage systems, communication systems, and data sources.

  11. SLAM High Resolution Numerical Simulations of the SZ Signatures of Cluster Mergers

    Science.gov (United States)

    Sarazin, Craig L.; Chatzikos, M.; O'Shea, B. W.

    2012-05-01

    I present the results of high resolution simulations of the effects of cluster mergers on SZ observations. Most of the simulations are from the SLAM (Simulation Library of Astrophysical galaxy cluster Mergers) library of 156 binary cluster mergers. These simulations include cluster masses ranging from 1e13 to 2e15 Msun, and mass ratios for the mergers of 1:1 to 10:1. They include four values of the dimensionless angular momentum of the merger (lambda = 0.0, 0.025, 0.05, and 0.075), ranging from head-on mergers to high impact parameter collisions. Many of the SZ features correspond to shocks and/or adiabatic compression events. The effect of these transient SZ features on the use of clusters to measure cosmological parameters in surveys is assessed. Support for this work was provided by Chandra grants TM7-8010X, GO9-0135X, GO9-0148X, GO1-12159A, and GO1-12169X, through NASA Suzaku grants NNX09AH25G and NNX09AH74G, through NASA ADAP grant NNX11AD15G, through NASA ATFP grant #08-ATFP08-0028, through NSF AST grant #0908819, and Michigan State University’s Institute for Cyber-Enabled Research. Computer time was provided by NSF TeraGrid grants TG-AST080001N and TG-AST090040.

  12. Improved Cluster Identification and Visualization in High-Dimensional Data Using Self-Organizing Maps

    Science.gov (United States)

    Manukyan, N.; Eppstein, M. J.; Rizzo, D. M.

    2011-12-01

    A Kohonen self-organizing map (SOM) is a type of unsupervised artificial neural network that results in a self-organized projection of high-dimensional data onto a low-dimensional feature map, wherein vector similarity is implicitly translated into topological closeness, enabling clusters to be identified. In recently published work [1], 209 microbial variables from 22 monitoring wells around the leaking Schuyler Falls Landfill in Clinton, NY [2] were analyzed using a multi-stage non-parametric process to explore how microbial communities may act as indicators for the gradient of contamination in groundwater. The final stage of their analysis used a weighted SOM to identify microbial signatures in this high dimensionality data set that correspond to clean, fringe, and contaminated soils. Resulting clusters were visualized with the standard unified distance matrix (U-matrix). However, while the results of this analysis were very promising, visualized boundaries between clusters in the SOM were indistinct and required manual and somewhat arbitrary identification. In this contribution, we introduce (i) a new cluster reinforcement (CR) phase to be run subsequent to traditional SOM training for automatic sharpening of cluster boundaries, and (ii) a new boundary matrix (B-matrix) approach for visualization of the resulting cluster boundaries. The CR-phase differs from standard SOM training in several ways, most notably by using a feature-based neighborhood function rather than a topologically-based neighborhood function. In contrast to the U-matrix, the B-matrix can be directly superimposed on heat maps of the individual features (as output by the SOM) using grid lines whose thickness corresponds to inter-cluster distances. By thresholding the displayed lines, one obtains hierarchical control of the visual level of cluster resolution. We first illustrate the advantages of these methods on a small synthetic test case, and then apply them to the Schuyler Falls landfill

  13. Effectiveness of Heuristic Based Approach on the Performance of Indexing and Clustering of High Dimensional Data

    OpenAIRE

    2011-01-01

    Data in practical applications (e.g., images, molecular biology, etc) is mostly characterised by high dimensionality and huge size or number of data instances. Though, feature reduction techniques have been successful in reducing the dimensionality for certain applications, dealing with high dimensional data is still an area which has received considerable attention in the research community. Indexing and clustering of high dimensional data are two of the most challenging techniques that have...

  14. Advanced use of high-performance liquid chromatography for synthesis of controlled metal clusters.

    Science.gov (United States)

    Niihori, Yoshiki; Matsuzaki, Miku; Uchida, Chihiro; Negishi, Yuichi

    2014-07-21

    Because the synthesis of metal clusters with multiple ligand types results in a distribution of ligands, high-resolution separation of each unique cluster from the mixture is required for precise control of the ligand composition. Reverse-phase high-performance liquid chromatography combined with appropriate transitioning of the mobile phase composition is an extremely effective means of separating ligand combinations when working with metal clusters protected by two different types of thiolates. We report herein advanced use of this method. The studies involving Au₂₄Pd(SR₁)₁₈-x(SR₂)x and Au₂₄Pd(SR₁)₁₈-x(SeR₂)x (SR₁, SR₂ = thiolate, SeR₂ = selenolate) revealed the following. (1) In general, an increase in the difference between the polarities of the functional groups incorporated in the two types of ligands improves the separation resolution. A suitable ligand combination for separation can be predicted from the retention times of Au₂₄Pd(SR₁)₁₈ and Au₂₄Pd(SR₂)₁₈, which cause the terminal peaks in a series of peaks. (2) The use of a step-gradient program during the mobile phase substitution results in improved resolution compared to that achievable with the linear gradients applied in prior work. (3) This technique is also useful for the evaluation of the chemical compositions of metal clusters protected by two different types of ligands with similar molecular weights. These findings will provide clear design guidelines for the functionalization of metal clusters via control of the ligand composition, and will also improve our understanding of the high-resolution isolation of metal clusters.

  15. Subcascade formation and defect cluster size scaling in high-energy collision events in metals

    Science.gov (United States)

    De Backer, A.; Sand, A. E.; Nordlund, K.; Luneville, L.; Simeone, D.; Dudarev, S. L.

    2016-07-01

    It has been recently established that the size of the defects created under ion irradiation follows a scaling law (Sand A. E. et al., EPL, 103 (2013) 46003; Yi X. et al., EPL, 110 (2015) 36001). A critical constraint associated with its application to phenomena occurring over a broad range of irradiation conditions is the limitation on the energy of incident particles. Incident neutrons or ions, with energies exceeding a certain energy threshold, produce a complex hierarchy of collision subcascade events, which impedes the use of the defect cluster size scaling law derived for an individual low-energy cascade. By analyzing the statistics of subcascade sizes and energies, we show that defect clustering above threshold energies can be described by a product of two scaling laws, one for the sizes of subcascades and the other for the sizes of defect clusters formed in subcascades. The statistics of subcascade sizes exhibits a transition at a threshold energy, where the subcascade morphology changes from a single domain below the energy threshold, to several or many sub-domains above the threshold. The number of sub-domains then increases in proportion to the primary knock-on atom energy. The model has been validated against direct molecular-dynamics simulations and applied to W, Fe, Be, Zr and sixteen other metals, enabling the prediction of full statistics of defect cluster sizes with no limitation on the energy of cascade events. We find that populations of defect clusters produced by the fragmented high-energy cascades are dominated by individual Frenkel pairs and relatively small defect clusters, whereas the lower-energy non-fragmented cascades produce a greater proportion of large defect clusters.

  16. Catalytic trimerization of aromatic nitriles and triaryl-s-triazine ring cross-linked high temperature resistant polymers and copolymers made thereby

    Science.gov (United States)

    Hsu, L. C. (Inventor)

    1979-01-01

    Triazine compounds and cross-linked polymer compositions are made by heating aromatic nitriles to a temperature in the range of from about 100 C to about 700 C, and preferably in the range of from about 200 C to about 350 C, in the presence of a catalyst or mixture of catalysts selected from one or more of the following groups: (1) organic sulfonic and sulfinic acids, (2) organic phosphonic and phosphinic acids, and (3)metallic acetylacetonates, at a pressure in the range of from about atmospheric pressure to about 10,000 psi and preferably in the range of from about 200 psi to about 750 psi. Aromatic nitrile-modified (terminated and/or appended) imide, benzimidazole, imidazopyrrolone, quinoxaline, and other condensation type prepolymers or their precopolymers are made which are trimerized with or without a filler by the aforementioned catalytic trimerization process into triaryl-s-triazine ring containing or cross-linked polymeric or copolymeric products useful in applications requiring high thermal-oxidative stability and high performance structural properties at elevated temperatures.

  17. [Application of gas chromatography-high resolution quadrupole time of flight mass spectrometry to the analysis of benzaldehyde, benzyl alcohol acetophenone and phenylacetaldehyde in complex aromatic samples].

    Science.gov (United States)

    Liu, Junyan; Cao, Zhe; Li, Jiwen; Wang, Zheming; Wang, Chuan; Gu, Songyuan

    2015-02-01

    The study focuses on the quantitative analytical characterization of benzaldehyde, benzyl alcohol, acetophenone and phenylacetaldehyde in complex aromatic samples by gas chromatography-high resolution quadrupole time of flight mass spectrometry (GC-QTOF MS). The four compounds in real sample were accurately qualified and quantified through a comprehensive analysis of the GC retention times and the accurate masses of the ion fragments obtained by the high resolution MS. The new method therefore effectively avoids the interference of the real sample substrate, which reduces the accuracy of the analysis results. The peak area of the characteristic ion fragment for each compound was used for quantitation calculation. The MS signal responses of the four compounds showed good linear relationships with the corresponding mass concentrations and the linear regression coefficients were greater than 0. 99. The method recoveries were 87. 97% - 103.01%. The limits of detection (LODs) were 0. 01, 0. 03, 0. 02 and 0. 01 mg/L for benzaldehyde, benzyl alcohol, acetophenone and phenylacetaldehyde respectively. The contents of the four compounds in three real samples were analyzed. The study provided a new strategy for oxygenate analysis in complex aromatic samples using GC-QTOF MS. By measuring the accurate masses, the new method reduces the reliance on chromatographic separation ability and makes up the shortcomings of the traditional GC-MS methods.

  18. The K Band Luminosity Functions of Galaxies in High Redshift Clusters

    CERN Document Server

    Ellis, S C

    2004-01-01

    K band luminosity functions (LFs) of three, massive, high redshift clusters of galaxies are presented. The evolution of K*, the characteristic magnitude of the LF, is consistent with purely passive evolution, and a redshift of forma tion z = 1.5-2.

  19. Uniqueness of the Infinite Open Cluster for High-density Percolation on Lattice Sierpinski Carpet

    Institute of Scientific and Technical Information of China (English)

    Xian Yuan WU

    2001-01-01

    We prove the uniqueness of infinite open cluster for high-density bond percolation on latticeSierpinski Carpet; forthermorc, an alternative proof of the existence of phase transition of the modelis given. A rescaling technique is developed and used as the main tool of our proofs.

  20. High pressure studies on nanometer sized clusters: Structural, optical, and cooperative properties

    Energy Technology Data Exchange (ETDEWEB)

    Tolbert, S.H.

    1995-05-01

    High-pressure Se EXAFS is used to study pressure-induced structural transformations in CdSe nanocrystals. The transformation is wurtzite to rock salt, at a pressure much higher than in bulk. High-pressure XRD is used to confirm the EXAFS results. Diffraction peak widths indicate that nanocrystals do not fragment upon transformation. Optical absorption correlates with structural transformations and is used to measure transition pressures; transformation pressure increases smoothly as nanocrystal size decreases. Thermodynamics of transformation is modeled using an elevated surface energy in the high-pressure phase. High-pressure study of Si nanocrystals show large increases in transformation pressure in crystallites to 500{angstrom} diameter, and an overall change in crystallite shape upon transformation is seen from XRD line widths. C{sub 60} single crystals were studied using Raman scattering; results provide information about the clusters` rotational state. Optical properties of high-pressure phase CdSe clusters were studied.

  1. Molecular Gas in the Halo Fuels the Growth of a Massive Cluster Galaxy at High Redshift

    CERN Document Server

    Emonts, B H C; Villar-Martin, M; Norris, R P; Ekers, R D; van Moorsel, G A; Dannerbauer, H; Pentericci, L; Miley, G K; Allison, J R; Sadler, E M; Guillard, P; Carilli, C L; Mao, M Y; Rottgering, H J A; De Breuck, C; Seymour, N; Gullberg, B; Ceverino, D; Jagannathan, P; Vernet, J; Indermuehle, B T

    2016-01-01

    The largest galaxies in the Universe reside in galaxy clusters. Using sensitive observations of carbon-monoxide, we show that the Spiderweb Galaxy -a massive galaxy in a distant protocluster- is forming from a large reservoir of molecular gas. Most of this molecular gas lies between the protocluster galaxies and has low velocity dispersion, indicating that it is part of an enriched inter-galactic medium. This may constitute the reservoir of gas that fuels the widespread star formation seen in earlier ultraviolet observations of the Spiderweb Galaxy. Our results support the notion that giant galaxies in clusters formed from extended regions of recycled gas at high redshift.

  2. High-Dimensional Bayesian Clustering with Variable Selection: The R Package bclust

    Directory of Open Access Journals (Sweden)

    Vahid Partovi Nia

    2012-04-01

    Full Text Available The R package bclust is useful for clustering high-dimensional continuous data. The package uses a parametric spike-and-slab Bayesian model to downweight the effect of noise variables and to quantify the importance of each variable in agglomerative clustering. We take advantage of the existence of closed-form marginal distributions to estimate the model hyper-parameters using empirical Bayes, thereby yielding a fully automatic method. We discuss computational problems arising in implementation of the procedure and illustrate the usefulness of the package through examples.

  3. APEnet+: high bandwidth 3D torus direct network for petaflops scale commodity clusters

    Science.gov (United States)

    Ammendola, R.; Biagioni, A.; Frezza, O.; Lo Cicero, F.; Lonardo, A.; Paolucci, P. S.; Rossetti, D.; Salamon, A.; Salina, G.; Simula, F.; Tosoratto, L.; Vicini, P.

    2011-12-01

    We describe herein the APElink+ board, a PCIe interconnect adapter featuring the latest advances in wire speed and interface technology plus hardware support for a RDMA programming model and experimental acceleration of GPU networking; this design allows us to build a low latency, high bandwidth PC cluster, the APEnet+ network, the new generation of our cost-effective, tens-of-thousands-scalable cluster network architecture. Some test results and characterization of data transmission of a complete testbench, based on a commercial development card mounting an Altera® FPGA, are provided.

  4. APEnet+: high bandwidth 3D torus direct network for petaflops scale commodity clusters

    CERN Document Server

    Ammendola, Roberto; Frezza, Ottorino; Cicero, Francesca Lo; Lonardo, Alessandro; Paolucci, Pier Stanislao; Rossetti, Davide; Salamon, Andrea; Salina, Gaetano; Simula, Francesco; Tosoratto, Laura; Vicini, Piero

    2011-01-01

    We describe herein the APElink+ board, a PCIe interconnect adapter featuring the latest advances in wire speed and interface technology plus hardware support for a RDMA programming model and experimental acceleration of GPU networking; this design allows us to build a low latency, high bandwidth PC cluster, the APEnet+ network, the new generation of our cost-effective, tens-of-thousands-scalable cluster network architecture. Some test results and characterization of data transmission of a complete testbench, based on a commercial development card mounting an Altera FPGA, are provided.

  5. High-Energy Ions Emitted from Ar Clusters Irradiated by Intense Femtosecond Laser Pulses

    Institute of Scientific and Technical Information of China (English)

    LI Zhong; LEI An-Le; NI Guo-Quan; XU Zhi-Zhan

    2000-01-01

    We have experimentally studied the energy spectra of Ar ions emitted from Ar clusters irradiated by intense femtosecond laser pulses. The Ar clusters were produced in the adiabatic expansion of Ar gas into vacuum at high backing pressures. The laser peak intensity was about 2×106 W/cm2 with a pulse duration of 45 fs. The maximum and the average energies of Ar ions are 0.2 MeV and 15kev at a backing pressure of 2. S MPa, respectively. They are almost independent of the backing pressures in the range of 0.6 to 4.5 MPa.

  6. High resolution infrared spectroscopy of carbon dioxide clusters up to (CO2)13

    OpenAIRE

    Norooz Oliaee, J.; Dehghany, M.; McKellar, A. R. W.; Moazzen-Ahmadi, N.

    2011-01-01

    Thirteen specific infrared bands in the 2350 cm−1 region are assigned to carbon dioxide clusters, (CO2)N, with N = 6, 7, 9, 10, 11, 12 and 13. The spectra are observed in direct absorption using a tuneable infrared laser to probe a pulsed supersonic jet expansion of a dilute mixture of CO2 in He carrier gas. Assignments are aided by cluster structure calculations made using two reliable CO2 intermolecular potential functions. For (CO2)6, two highly symmetric isomers are observed, one with S6 ...

  7. Contorted polycyclic aromatics.

    Science.gov (United States)

    Ball, Melissa; Zhong, Yu; Wu, Ying; Schenck, Christine; Ng, Fay; Steigerwald, Michael; Xiao, Shengxiong; Nuckolls, Colin

    2015-02-17

    CONSPECTUS: This Account describes a body of research in the design, synthesis, and assembly of molecular materials made from strained polycyclic aromatic molecules. The strain in the molecular subunits severely distorts the aromatic molecules away from planarity. We coined the term "contorted aromatics" to describe this class of molecules. Using these molecules, we demonstrate that the curved pi-surfaces are useful as subunits to make self-assembled electronic materials. We have created and continue to study two broad classes of these "contorted aromatics": discs and ribbons. The figure that accompanies this conspectus displays the three-dimensional surfaces of a selection of these "contorted aromatics". The disc-shaped contorted molecules have well-defined conformations that create concave pi-surfaces. When these disc-shaped molecules are substituted with hydrocarbon side chains, they self-assemble into columnar superstructures. Depending on the hydrocarbon substitution, they form either liquid crystalline films or macroscopic cables. In both cases, the columnar structures are photoconductive and form p-type, hole- transporting materials in field effect transistor devices. This columnar motif is robust, allowing us to form monolayers of these columns attached to the surface of dielectrics such as silicon oxide. We use ultrathin point contacts made from individual single-walled carbon nanotubes that are separated by a few nanometers to probe the electronic properties of short stacks of a few contorted discs. We find that these materials have high mobility and can sense electron-deficient aromatic molecules. The concave surfaces of these disc-shaped contorted molecules form ideal receptors for the molecular recognition and assembly with spherical molecules such as fullerenes. These interfaces resemble ball-and-socket joints, where the fullerene nests itself in the concave surface of the contorted disc. The tightness of the binding between the two partners can be

  8. Swarm v2: highly-scalable and high-resolution amplicon clustering

    Directory of Open Access Journals (Sweden)

    Frédéric Mahé

    2015-12-01

    Full Text Available Previously we presented Swarm v1, a novel and open source amplicon clustering program that produced fine-scale molecular operational taxonomic units (OTUs, free of arbitrary global clustering thresholds and input-order dependency. Swarm v1 worked with an initial phase that used iterative single-linkage with a local clustering threshold (d, followed by a phase that used the internal abundance structures of clusters to break chained OTUs. Here we present Swarm v2, which has two important novel features: (1 a new algorithm for d = 1 that allows the computation time of the program to scale linearly with increasing amounts of data; and (2 the new fastidious option that reduces under-grouping by grafting low abundant OTUs (e.g., singletons and doubletons onto larger ones. Swarm v2 also directly integrates the clustering and breaking phases, dereplicates sequencing reads with d = 0, outputs OTU representatives in fasta format, and plots individual OTUs as two-dimensional networks.

  9. Interatomic potential to study the formation of NiCr clusters in high Cr ferritic steels

    Science.gov (United States)

    Bonny, G.; Bakaev, A.; Olsson, P.; Domain, C.; Zhurkin, E. E.; Posselt, M.

    2017-02-01

    Under irradiation NiSiPCr clusters are formed in high-Cr ferritic martensitic steels as well as in FeCr model alloys. In the literature little is known about the origin and contribution to the hardening of these clusters. In this work we performed density functional theory (DFT) calculations to study the stability of small substitutional NiCr-vacancy clusters and interstitial configurations in bcc Fe. Based on DFT data and experimental considerations a ternary potential for the ferritic FeNiCr system was developed. The potential was applied to study the thermodynamic stability of NiCr clusters by means of Metropolis Monte Carlo (MMC) simulations. The results of our simulations show that Cr and Ni precipitate as separate fractions and suggest only a limited synergetic effect between Ni and Cr. Therefore our results suggest that the NiCrSiP clusters observed in experiments must be the result of other mechanisms than the synergy of Cr and Ni at thermal equilibrium.

  10. On the Origin of High-Altitude Open Clusters in the Milky Way

    CERN Document Server

    Martinez-Medina, L A; Moreno, E; Peimbert, A; Velazquez, H

    2016-01-01

    We present a dynamical study of the effect of the bar and spiral arms on the simulated orbits of open clusters in the Galaxy. Specifically, this work is devoted to the puzzling presence of high-altitude open clusters in the Galaxy. For this purpose we employ a very detailed observationally motivated potential model for the Milky Way and a careful set of initial conditions representing the newly born open clusters in the thin disk. We find that the spiral arms are able to raise an important percentage of open clusters (about one-sixth of the total employed in our simulations, depending on the structural parameters of the arms) above the Galactic plane to heights beyond 200 pc, producing a bulge-shaped structure toward the center of the Galaxy. Contrary to what was expected, the spiral arms produce a much greater vertical effect on the clusters than the bar, both in quantity and height; this is due to the sharper concentration of the mass on the spiral arms, when compared to the bar. When a bar and spiral arms ...

  11. One_dimensional chains of gold clusters on the surface of highly oriented pyrolytic graphite

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    We have investigated the growth of gold nanoclusters on thesurface of highly oriented pyrolytic graphite in ultrahigh vacuum. Studies of ultrahigh vacuum scanning tunneling microscopy revealed that the size distribution of gold clusters was very narrow and quasi-one-dimensional chains of gold nanoclusters of approximately 2 nm diameter were produced after being annealed at 74℃. Unlike the results obtained by previous workers, these chains of gold clusters were not formed along steps on the substrate surface, and some of them could even go across monoatomic steps. The orientation of chains of gold clusters was also dependent on the size of gold nanoclusters. These results suggest the viability of a new route to the creation of ordered nanoscale structures.

  12. Evanescent high pressure during hypersonic cluster-surface impact characterized by the virial theorem.

    Science.gov (United States)

    Gross, A; Levine, R D

    2005-11-15

    Matter under extreme conditions can be generated by a collision of a hypersonic cluster with a surface. The ultra-high-pressure interlude lasts only briefly from the impact until the cluster shatters. We discuss the theoretical characterization of the pressure using the virial theorem and develop a constrained molecular-dynamics procedure to compute it. The simulations show that for rare-gas clusters the pressures reach the megabar range. The contribution to the pressure from momentum transfer is comparable in magnitude and is of the same sign as that ("the internal pressure") due to repulsive interatomic forces. The scaling of the pressure with the reduced mechanical variables is derived and validated with reference to the simulations.

  13. High-speed detection of emergent market clustering via an unsupervised parallel genetic algorithm

    Directory of Open Access Journals (Sweden)

    Dieter Hendricks

    2016-02-01

    Full Text Available We implement a master-slave parallel genetic algorithm with a bespoke log-likelihood fitness function to identify emergent clusters within price evolutions. We use graphics processing units (GPUs to implement a parallel genetic algorithm and visualise the results using disjoint minimal spanning trees. We demonstrate that our GPU parallel genetic algorithm, implemented on a commercially available general purpose GPU, is able to recover stock clusters in sub-second speed, based on a subset of stocks in the South African market. This approach represents a pragmatic choice for low-cost, scalable parallel computing and is significantly faster than a prototype serial implementation in an optimised C-based fourth-generation programming language, although the results are not directly comparable because of compiler differences. Combined with fast online intraday correlation matrix estimation from high frequency data for cluster identification, the proposed implementation offers cost-effective, near-real-time risk assessment for financial practitioners.

  14. Metastable decay of argon clusters after photoionisation at high excess energies

    Energy Technology Data Exchange (ETDEWEB)

    Steger, H.; Vries, J. de; Kamke, W.; Hertel, I.V. (Freiburg Univ. (Germany, F.R.). Fakultaet fuer Physik)

    1991-08-01

    Recently Maerk and collaborators reported the metastable emission of large fractions from argon and neon cluster ions after electron impact ionisation at high excess energies. The decay was interpreted as the result of an intra-cluster excitation of a metastable state by one of the electrons involved in the ionisation process. Here we report the first direct observation of such a correlated two electron process during photoionisation of argon clusters using synchrotron radiation and the TPEPICO technique. We observe at least two distinct maxima of the metastable TPEPICO spectrum at around 27 eV and 28.5 eV, the former being consistent with the previously reported energetic threshold for electron impact ionisation. (orig.).

  15. Effect of torrefaction on the properties of rice straw high temperature pyrolysis char: Pore structure, aromaticity and gasification activity.

    Science.gov (United States)

    Chen, Handing; Chen, Xueli; Qin, Yueqiang; Wei, Juntao; Liu, Haifeng

    2017-03-01

    The influence of torrefaction on the physicochemical characteristics of char during raw and water washed rice straw pyrolysis at 800-1200°C is investigated. Pore structure, aromaticity and gasification activity of pyrolysis chars are compared between raw and torrefied samples. For raw straw, BET specific surface area decreases with the increased torrefaction temperature at the same pyrolysis temperature and it approximately increases linearly with weight loss during pyrolysis. The different pore structure evolutions relate to the different volatile matters and pore structures between raw and torrefied straw. Torrefaction at higher temperature would bring about a lower graphitization degree of char during pyrolysis of raw straw. Pore structure and carbon crystalline structure evolutions of raw and torrefied water washed straw are different from these of raw straw during pyrolysis. For both raw and water washed straw, CO2 gasification activities of pyrolysis chars are different between raw and torrefied samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Characterization of magnetic Ni clusters on graphene scaffold after high vacuum annealing

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhenjun, E-mail: zzhang1@albany.edu; Matsubayashi, Akitomo, E-mail: norwegianwood.1984@gmail.com; Grisafe, Benjamin, E-mail: bgrisafe@albany.edu; Lee, Ji Ung, E-mail: jlee1@albany.edu; Lloyd, James R., E-mail: JLloyd@sunycnse.com

    2016-02-15

    Magnetic Ni nanoclusters were synthesized by electron beam deposition utilizing CVD graphene as a scaffold. The subsequent clusters were subjected to high vacuum (5−8 x10{sup −7} torr) annealing between 300 and 600 °C. The chemical stability, optical and morphological changes were characterized by X-ray photoemission microscopy, Raman spectroscopy, atomic force microscopy and magnetic measurement. Under ambient exposure, nickel nanoparticles were observed to be oxidized quickly, forming antiferromagnetic nickel oxide. Here, we report that the majority of the oxidized nickel is in non-stoichiometric form and can be reduced under high vacuum at temperature as low as 300 °C. Importantly, the resulting annealed clusters were relatively stable and no further oxidation was detectable after three weeks of air exposure at room temperature. - Highlights: • Random oriented nickel clusters were assembled on monolayer graphene scaffold. • Nickel oxide shell was effectively reduced at moderate temperature. • Coercivity of nickel clusters are greatly improved after high vacuum annealing.

  17. Chemical Abundances of the Highly Obscured Galactic Globular Clusters 2MASS GC02 and Mercer 5

    CERN Document Server

    Penaloza, Francisco; Vasquez, Sergio; Borissova, Jura; Kurtev, Radostin; Zoccali, Manuela

    2015-01-01

    We present the first high spectral resolution abundance analysis of two newly discovered Galactic globular clusters, namely Mercer 5 and 2MASS GC02 residing in regions of high interstellar reddening in the direction of the Galactic center. The data were acquired with the Phoenix high-resolution near-infrared echelle spectrograph at Gemini South (R~50000) in the 15500.0 A - 15575.0 A spectral region. Iron, Oxygen, Silicon, Titanium and Nickel abundances were derived for two red giant stars, in each cluster, by comparing the entire observed spectrum with a grid of synthetic spectra generated with MOOG. We found [Fe/H] values of -0.86 +/- 0.12 and -1.08 +/- 0.13 for Mercer 5 and 2MASS GC02 respectively. The [O/Fe], [Si/Fe] and [Ti/Fe] ratios of the measured stars of Mercer 5 follow the general trend of both bulge field and cluster stars at this metallicity, and are enhanced by > +0.3. The 2MASS GC02 stars have relatively lower ratios, but still compatible with other bulge clusters. Based on metallicity and abund...

  18. Alpha clustering in $^{28}$Si probed through the identification of high-lying $0^+$ states

    CERN Document Server

    Adsley, P; Cseh, J; Dimitriova, S S; Brummer, J W; Li, K C W; Marin-Lambarri, D J; Lukyanov, K; Kheswa, N Y; Neveling, R; Papka, P; Pellegri, L; Pesudo, V; Pool, L C; Riczu, G; Smit, F D; van Zyl, J J; Zemlyanaya, E

    2016-01-01

    Aspects of nuclear structure in alpha-conjugate nuclei have long been associated with alpha clustering, including the existence of superdeformed bands. In this paper, an alpha-particle inelastic scattering experiment investigating the location of $0^+$ states in $^{28}$Si is reported in an attempt to locate possible cluster states. The results are compared to a semi-microscopic model which shows good agreement with the data, and supports the assignment of a newly discovered $0^+$ state as the band-head of a previously observed superdeformed band in $^{28}$Si

  19. HETEROAROMATIC POLYMERS - HIGH TEMPERATURE POLYPYRROLONES DERIVED FROM 2,6-BIS(3′,4′-DIAMINOPHENYL)-4-BIPHENYLPYRIDINE AND VARIOUS AROMATIC DIANHYDRIDES

    Institute of Scientific and Technical Information of China (English)

    Hai-xia Yang; Jin-gang Liu; Xiao-juan Zhao; Yan-feng Li; Lin Fan; Shi-yong Yang

    2005-01-01

    A new type of aromatic tetraamine containing biphenyl moiety in the side chain was synthesized via a modified Chichibabin's reaction. 3-Nitro-4-acetamidoacetophenone was reacted with 4-phenyl benzaldehyde in the presence of ammonium acetate to obtain 2,6-bis(3′,4′-diaminophenyl)-4-biphenyl pyridine (DPPA). A series of polypyrrolones (PPys)were prepared using tetraamine and various aromatic dianhydrides via a two-step cyclization procedure. All the PPys show excellent high temperature stabilities with the initial decomposition temperatures of 530-549℃ and residual weight ratio of 49%-80% at 750℃ in nitrogen. The polymers exhibit no apparent glass transition temperatures (Tgs) except PPy-1(Tg = 327℃), which is derived from tetraamine DPPA and 2,2-bis[4-(3′,4′-dicarboxyphenoxy)-phenyl]propane dianhydride (BPADA). In addition, the polymers have acceptable mechanical properties with the tensile strength of 65-94 MPa. The PPy films show excellent hydrolysis-resistance in alkaline aqueous medium and could maintain most of the properties even after boiling in 10% aqueous sodium hydroxide solution for a week.

  20. A scientific case for future X-ray Astronomy: Galaxy Clusters at high redshifts

    CERN Document Server

    Tozzi, Paolo

    2013-01-01

    Clusters of galaxies at high redshift (z>1) are vitally important to understand the evolution of the large scale structure of the Universe, the processes shaping galaxy populations and the cycle of the cosmic baryons, and to constrain cosmological parameters. After 13 years of operation of the Chandra and XMM-Newton satellites, the discovery and characterization of distant X-ray clusters is proceeding at a slow pace, due to the low solid angle covered so far, and the time-expensive observations needed to physically characterize their intracluster medium (ICM). At present, we know that at z>1 many massive clusters are fully virialized, their ICM is already enriched with metals, strong cool cores are already in place, and significant star formation is ongoing in their most massive galaxies, at least at z>1.4. Clearly, the assembly of a large and well characterized sample of high-z X-ray clusters is a major goal for the future. We argue that the only means to achieve this is a survey-optimized X-ray mission capa...

  1. A study of high-redshift AGN feedback in SZ cluster samples

    Science.gov (United States)

    Bîrzan, L.; Rafferty, D. A.; Brüggen, M.; Intema, H. T.

    2017-10-01

    We present a study of active galactic nucleus (AGN) feedback at higher redshifts (0.3 samples of clusters from the South Pole Telescope and Atacama Cosmology Telescope surveys. In contrast to studies of nearby systems, we do not find a separation between cooling flow (CF) clusters and non-CF clusters based on the radio luminosity of the central radio source (cRS). This lack may be due to the increased incidence of galaxy-galaxy mergers at higher redshift that triggers AGN activity. In support of this scenario, we find evidence for evolution in the radio-luminosity function of the cRS, while the lower luminosity sources do not evolve much, the higher luminosity sources show a strong increase in the frequency of their occurrence at higher redshifts. We interpret this evolution as an increase in high-excitation radio galaxies (HERGs) in massive clusters at z > 0.6, implying a transition from HERG-mode accretion to lower power low-excitation radio galaxy (LERG)-mode accretion at intermediate redshifts. Additionally, we use local radio-to-jet power scaling relations to estimate feedback power and find that half of the CF systems in our sample probably have enough heating to balance cooling. However, we postulate that the local relations are likely not well suited to predict feedback power in high-luminosity HERGs, as they are derived from samples composed mainly of lower luminosity LERGs.

  2. High resolution infrared spectra of NGC 6440 and NGC 6441: two massive Bulge Globular Clusters

    CERN Document Server

    Origlia, L; Rich, R M

    2008-01-01

    Using the NIRSPEC spectrograph at Keck II, we have obtained infrared echelle spectra covering the 1.5-1.8 micron range for giant stars in the massive bulge globular clusters NGC6440 and NGC6441. We report the first high dispersion abundance for NGC6440, [Fe/H]=-0.56+/-0.02 and we find [Fe/H]=-0.50+/-0.02 for the blue HB cluster NGC6441. We measure an average $\\alpha$-enhancement of ~+0.3 dex in both clusters, consistent with previous measurements of other metal rich bulge clusters, and favoring the scenario of a rapid bulge formation and chemical enrichment. We also measure very low 12C/13C isotopic ratios (~5+/- 1), suggesting that extra-mixing mechanisms are at work during evolution along the Red Giant Branch also in the high metallicity regime. We also measure Al abundances, finding average [Al/Fe]=0.45+/-0.02 and [Al/Fe]=0.52+/-0.02 in NGC6440 and NGC6441, respectively, and some Mg-Al anti-correlation in NGC6441. We also measure radial velocities vr=-76+/-3 km/s and vr=+14+/-3 km/s and velocity dispersion...

  3. Characterization of a cryogenically cooled high-pressure gas jet for laser/cluster interaction experiments

    Science.gov (United States)

    Smith, R. A.; Ditmire, T.; Tisch, J. W. G.

    1998-11-01

    We have developed and carried out detailed characterization of a cryogenically cooled (34-300 K), high-pressure (55 kTorr) solenoid driven pulsed valve that has been used to produce dense jets of atomic clusters for high intensity laser interaction studies. Measurements including Rayleigh scattering and short pulse interferometry show that clusters of controlled size, from a few to >104 atoms/cluster can be produced from a broad range of light and heavy gases, at average atomic densities up to 4×1019 atoms/cc. Continuous temperature and pressure control of the valve allows us to vary mean cluster size while keeping the average atomic density constant, and we find that many aspects of the valves behavior are consistent with ideal gas laws. However, we also show that effects including the build up of flow on milliseconds time scales, the cooling of gas flowing into the valve, and condensation of gas inside the valve body at temperatures well above the liquefaction point need to be carefully characterized in order to decouple the operation of the jet from the laser interaction physics.

  4. The High-redshift Clusters Occupied by Bent Radio AGN (COBRA) Survey: The Spitzer Catalog

    Science.gov (United States)

    Paterno-Mahler, R.; Blanton, E. L.; Brodwin, M.; Ashby, M. L. N.; Golden-Marx, E.; Decker, B.; Wing, J. D.; Anand, G.

    2017-07-01

    We present 190 galaxy cluster candidates (most at high redshift) based on galaxy overdensity measurements in the Spitzer/IRAC imaging of the fields surrounding 646 bent, double-lobed radio sources drawn from the Clusters Occupied by Bent Radio AGN (COBRA) Survey. The COBRA sources were chosen as objects in the Very Large Array FIRST survey that lack optical counterparts in the Sloan Digital Sky Survey to a limit of m r = 22, making them likely to lie at high redshift. This is confirmed by our observations: the redshift distribution of COBRA sources with estimated redshifts peaks near z = 1 and extends out to z≈ 3. Cluster candidates were identified by comparing our target fields to a background field and searching for statistically significant (≥slant 2σ ) excesses in the galaxy number counts surrounding the radio sources; 190 fields satisfy the ≥slant 2σ limit. We find that 530 fields (82.0%) have a net positive excess of galaxies surrounding the radio source. Many of the fields with positive excesses but below the 2σ cutoff are likely to be galaxy groups. Forty-one COBRA sources are quasars with known spectroscopic redshifts, which may be tracers of some of the most distant clusters known.

  5. High-intensity femtosecond laser absorption by rare-gas clusters

    Institute of Scientific and Technical Information of China (English)

    李邵辉; 王成; 刘建胜; 王向欣; 朱频频; 李儒新; 倪国权; 徐至展

    2003-01-01

    The energy absorption efficiency of high-intensity (~ 1016W/cm2) femtosecond laser pulses in a dense jet of large rare-gas clusters has been measured. Experimental results show that the energy absorption efficiency is strongly dependent on the cluster size and can be higher than 90%. The measurement of the ion energy indicates that the average ion energies of argon and xenon can be as high as 90 and 100keV, respectively. The dependence of the average energy of the ions on the cluster size is also measured. At comparatively low gas backing pressure, the average ion energies of argon and xenon increase with increasing gas backing pressure. The average ion energy of argon becomes saturated gradually with further increase of the gas backing pressure. For xenon, the average ion energy drops a little after the gas backing pressure exceeds 9 bar (3.2×105 atoms/cluster). The result showing the existence of a maximum average ion energy has been interpreted within the framework of the microplasma sphere model.

  6. A High Stellar Velocity Dispersion and ~100 Globular Clusters for the Ultra Diffuse Galaxy Dragonfly 44

    CERN Document Server

    van Dokkum, Pieter; Brodie, Jean; Conroy, Charlie; Danieli, Shany; Merritt, Allison; Mowla, Lamiya; Romanowsky, Aaron; Zhang, Jielai

    2016-01-01

    Recently a population of large, very low surface brightness, spheroidal galaxies was identified in the Coma cluster. The apparent survival of these Ultra Diffuse Galaxies (UDGs) in a rich cluster suggests that they have very high masses. Here we present the stellar kinematics of Dragonfly 44, one of the largest Coma UDGs, using a 33.5 hr integration with DEIMOS on the Keck II telescope. We find a velocity dispersion of 47 km/s, which implies a dynamical mass of M_dyn=0.7x10^10 M_sun within its deprojected half-light radius of r_1/2=4.6 kpc. The mass-to-light ratio is M/L=48 M_sun/L_sun, and the dark matter fraction is 98 percent within the half-light radius. The high mass of Dragonfly 44 is accompanied by a large globular cluster population. From deep Gemini imaging taken in 0.4" seeing we infer that Dragonfly 44 has 94 globular clusters, similar to the counts for other galaxies in this mass range. Our results add to other recent evidence that many UDGs are "failed" galaxies, with the sizes, dark matter conte...

  7. Annealing studies of cluster defects in ion-implanted silicon using high resolution DLTS

    Energy Technology Data Exchange (ETDEWEB)

    Gad, M.A. [Materials and Engineering Research Institute, Sheffield Hallam University, Howard Street, Sheffield S1 1WB (United Kingdom); Evans-Freeman, J.H. [Materials and Engineering Research Institute, Sheffield Hallam University, Howard Street, Sheffield S1 1WB (United Kingdom)]. E-mail: j.evans-freeman@shu.ac.uk

    2006-12-15

    High resolution Laplace deep level transient spectroscopy (LDLTS) has been applied to investigate the annealing behaviour of small cluster defects in n-type Si. The Si was implanted with either Ge or Si, with energies 1500 keV and 850 keV respectively, and doses of 1 x 10{sup 10} cm{sup -2}. The low dose ensured that there was a minimum of carrier removal due to deep defect states after implantation. Defect states in the as-implanted samples were attributed to VO pairs, divacancies and very small interstitial cluster defects, after detailed depth profiling. LDLTS of Ge{sup +} and Si{sup +} implanted silicon shows that there are three closely spaced deep levels associated with these clusters, with energies in the region of E {sub c}-400 meV. Samples were then isochronally annealed in very small temperature intervals up to 560 K, in situ in our high temperature measurement cryostat, and the LDLTS re-examined as a function of annealing temperature. A new deeper energy level emerges as the cluster-related signal reduces, and it is suggested that this new trap is a major recombination centre, by comparison with current-voltage data.

  8. Annealing studies of cluster defects in ion-implanted silicon using high resolution DLTS

    Science.gov (United States)

    Gad, M. A.; Evans-Freeman, J. H.

    2006-12-01

    High resolution Laplace deep level transient spectroscopy (LDLTS) has been applied to investigate the annealing behaviour of small cluster defects in n-type Si. The Si was implanted with either Ge or Si, with energies 1500 keV and 850 keV respectively, and doses of 1 × 10 10 cm -2. The low dose ensured that there was a minimum of carrier removal due to deep defect states after implantation. Defect states in the as-implanted samples were attributed to VO pairs, divacancies and very small interstitial cluster defects, after detailed depth profiling. LDLTS of Ge + and Si + implanted silicon shows that there are three closely spaced deep levels associated with these clusters, with energies in the region of Ec-400 meV. Samples were then isochronally annealed in very small temperature intervals up to 560 K, in situ in our high temperature measurement cryostat, and the LDLTS re-examined as a function of annealing temperature. A new deeper energy level emerges as the cluster-related signal reduces, and it is suggested that this new trap is a major recombination centre, by comparison with current-voltage data.

  9. Clustering of galaxies in a hierarchical universe - II. Evolution to high redshift

    Science.gov (United States)

    Kauffmann, Guinevere; Colberg, Jörg M.; Diaferio, Antonaldo; White, Simon D. M.

    1999-08-01

    In hierarchical cosmologies the evolution of galaxy clustering depends both on cosmological quantities such as Omega, Lambda and P(k), which determine how collapsed structures - dark matter haloes - form and evolve, and on the physical processes - cooling, star formation, radiative and hydrodynamic feedback - which drive the formation of galaxies within these merging haloes. In this paper we combine dissipationless cosmological N-body simulations and semi-analytic models of galaxy formation in order to study how these two aspects interact. We focus on the differences in clustering predicted for galaxies of differing luminosity, colour, morphology and star formation rate, and on what these differences can teach us about the galaxy formation process. We show that a `dip' in the amplitude of galaxy correlations between z=0 and z=1 can be an important diagnostic. Such a dip occurs in low-density CDM models, because structure forms early, and dark matter haloes of mass ~10^12M_solar, containing galaxies with luminosities ~L_*, are unbiased tracers of the dark matter over this redshift range; their clustering amplitude then evolves similarly to that of the dark matter. At higher redshifts, bright galaxies become strongly biased and the clustering amplitude increases again. In high density models, structure forms late, and bias evolves much more rapidly. As a result, the clustering amplitude of L_* galaxies remains constant from z=0 to z=1. The strength of these effects is sensitive to sample selection. The dip becomes weaker for galaxies with lower star formation rates, redder colours, higher luminosities and earlier morphological types. We explain why this is the case, and how it is related to the variation with redshift of the abundance and environment of the observed galaxies. We also show that the relative peculiar velocities of galaxies are biased low in our models, but that this effect is never very strong. Studies of clustering evolution as a function of galaxy

  10. On-line enrichment and determination of polycyclic aromatic hydrocarbons in atmospheric particulates using high performance liquid chromatography with fluorescence as detector

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Seven polycyclic aromatic hydrocarbons (PAHs) in atmospheric particulates were determinated by high performance liquid chromatography (HPLC) with fluorescence detector using direction injection and an on-line enrichment trap column. The method simplified the sample pretreatment, saved time and increased the efficiency. With the on-line trap column, PAHs were separated availably even underground injecting 1.0 ml sample with relatively high column efficiency. The recoveries of the seven PAHs were from 85% to 120% for spiked atmospheric particulate sample. The limit of detection was 15.3-39.6 ng/L (S/N=3.3). There were good linear correlations between the peak areas and concentrations of the seven kinds of PAHs in the range of 1-50 ng/ml with the correlation coefficients over 0.9970. Furthermore, it also indicated that the method is available to determine PAHs in atmospheric particulates well.

  11. Achieving High Performance Distributed System: Using Grid, Cluster and Cloud Computing

    Directory of Open Access Journals (Sweden)

    Sunil Kr Singh

    2015-02-01

    Full Text Available To increase the efficiency of any task, we require a system that would provide high performance along with flexibilities and cost efficiencies for user. Distributed computing, as we are all aware, has become very popular over the past decade. Distributed computing has three major types, namely, cluster, grid and cloud. In order to develop a high performance distributed system, we need to utilize all the above mentioned three types of computing. In this paper, we shall first have an introduction of all the three types of distributed computing. Subsequently examining them we shall explore trends in computing and green sustainable computing to enhance the performance of a distributed system. Finally presenting the future scope, we conclude the paper suggesting a path to achieve a Green high performance distributed system using cluster, grid and cloud computing

  12. pi-Selective stationary phases: (I) Influence of the spacer chain length of phenyl type phases on the aromatic and methylene selectivity of aromatic compounds in reversed phase high performance liquid chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Mayfield, Kirsty [University of Western Sydney, Australia; Dennis, Gary [University of Western Sydney, Australia; Gritti, Fabrice [University of Tennessee, Knoxville (UTK); Guiochon, Georges A [ORNL; Shalliker, R. Andrew [University of Western Sydney, Australia

    2010-01-01

    Phenyl type stationary phases of increasing spacer chain length (phenyl, methyl phenyl, ethyl phenyl, propyl phenyl and butyl phenyl, with 0-4 carbon atoms in the spacer chain, respectively) were synthesized and packed in house to determine the impact that the spacer chain length has on the retention process. Two trends in the aromatic selectivity, q{sub aromatic}, were observed, depending on whether the number of carbon atoms in the spacer chain is even or odd. Linear log k' vs {phi} plots were obtained for each stationary phase and the S coefficient was determined from the gradient of these plots. For the phenyl type phases, the S vs n{sub c} plots of the retention factors of linear polycyclic aromatic hydrocarbons vs the number of rings exhibit a distinct discontinuity that between 3 and 4 rings, which increases with increasing spacer chain length for even phases but decreases for odd phases. Accordingly, we suggest that the retention factors depend differently on the number of carbon atoms in the spacer chain depending on whether this number is even or odd and that this effect is caused by different orientations of the aromatic ring relative to the silica surface.

  13. The HST Frontier Fields: Complete High-Level Science Data Products for All 6 Clusters

    Science.gov (United States)

    Koekemoer, Anton M.; Mack, Jennifer; Lotz, Jennifer M.; Borncamp, David; Khandrika, Harish G.; Lucas, Ray A.; Martlin, Catherine; Porterfield, Blair; Sunnquist, Ben; Anderson, Jay; Avila, Roberto J.; Barker, Elizabeth A.; Grogin, Norman A.; Gunning, Heather C.; Hilbert, Bryan; Ogaz, Sara; Robberto, Massimo; Sembach, Kenneth; Flanagan, Kathryn; Mountain, Matt; HST Frontier Fields Team

    2017-01-01

    The Hubble Space Telescope Frontier Fields program (PI: J. Lotz) is a large Director's Discretionary program of 840 orbits, to obtain ultra-deep observations of six strong lensing clusters of galaxies, together with parallel deep blank fields, making use of the strong lensing amplification by these clusters of distant background galaxies to detect the faintest galaxies currently observable in the high-redshift universe. The entire program has now completed successfully for all 6 clusters, namely Abell 2744, Abell S1063, Abell 370, MACS J0416.1-2403, MACS J0717.5+3745 and MACS J1149.5+2223,. Each of these was observed over two epochs, to a total depth of 140 orbits on the main cluster and an associated parallel field, obtaining images in ACS (F435W, F606W, F814W) and WFC3/IR (F105W, F125W, F140W, F160W) on both the main cluster and the parallel field in all cases. Full sets of high-level science products have been generated for all these clusters by the team at STScI, including cumulative-depth data releases during each epoch, as well as full-depth releases after the completion of each epoch. These products include all the full-depth distortion-corrected drizzled mosaics and associated products for each cluster, which are science-ready to facilitate the construction of lensing models as well as enabling a wide range of other science projects. Many improvements beyond default calibration for ACS and WFC3/IR are implemented in these data products, including corrections for persistence, time-variable sky, and low-level dark current residuals, as well as improvements in astrometric alignment to achieve milliarcsecond-level accuracy. The full set of resulting high-level science products and mosaics are publicly delivered to the community via the Mikulski Archive for Space Telescopes (MAST) to enable the widest scientific use of these data, as well as ensuring a public legacy dataset of the highest possible quality that is of lasting value to the entire community.

  14. AN EFFECTIVE MULTI-CLUSTERING ANONYMIZATION APPROACH USING DISCRETE COMPONENT TASK FOR NON-BINARY HIGH DIMENSIONAL DATA SPACES

    Directory of Open Access Journals (Sweden)

    L.V. Arun Shalin

    2016-01-01

    Full Text Available Clustering is a process of grouping elements together, designed in such a way that the elements assigned to similar data points in a cluster are more comparable to each other than the remaining data points in a cluster. During clustering certain difficulties related when dealing with high dimensional data are ubiquitous and abundant. Works concentrated using anonymization method for high dimensional data spaces failed to address the problem related to dimensionality reduction during the inclusion of non-binary databases. In this work we study methods for dimensionality reduction for non-binary database. By analyzing the behavior of dimensionality reduction for non-binary database, results in performance improvement with the help of tag based feature. An effective multi-clustering anonymization approach called Discrete Component Task Specific Multi-Clustering (DCTSM is presented for dimensionality reduction on non-binary database. To start with we present the analysis of attribute in the non-binary database and cluster projection identifies the sparseness degree of dimensions. Additionally with the quantum distribution on multi-cluster dimension, the solution for relevancy of attribute and redundancy on non-binary data spaces is provided resulting in performance improvement on the basis of tag based feature. Multi-clustering tag based feature reduction extracts individual features and are correspondingly replaced by the equivalent feature clusters (i.e. tag clusters. During training, the DCTSM approach uses multi-clusters instead of individual tag features and then during decoding individual features is replaced by corresponding multi-clusters. To measure the effectiveness of the method, experiments are conducted on existing anonymization method for high dimensional data spaces and compared with the DCTSM approach using Statlog German Credit Data Set. Improved tag feature extraction and minimum error rate compared to conventional anonymization

  15. The Hubble Space Telescope Cluster Supernova Survey: The Type Ia Supernova Rate in High-Redshift Galaxy Clusters

    CERN Document Server

    Barbary, K; Amanullah, R; Brodwin, M; Connolly, N; Dawson, K S; Doi, M; Eisenhardt, P; Faccioli, L; Fadeyev, V; Fakhouri, H K; Fruchter, A S; Gilbank, D G; Gladders, M D; Goldhaber, G; Goobar, A; Hattori, T; Hsiao, E; Huang, X; Ihara, Y; Kashikawa, N; Koester, B; Konishi, K; Kowalski, M; Lidman, C; Lubin, L; Meyers, J; Morokuma, T; Oda, T; Panagia, N; Perlmutter, S; Postman, M; Ripoche, P; Rosati, P; Rubin, D; Schlegel, D J; Spadafora, A L; Stanford, S A; Strovink, M; Suzuki, N; Takanashi, N; Tokita, K; Yasuda, N

    2010-01-01

    We report a measurement of the Type Ia supernova (SN Ia) rate in galaxy clusters at 0.9 0.9 SNe. Finding 8 +/- 1 cluster SNe Ia, we determine a SN Ia rate of 0.50 +0.23-0.19 (stat) +0.10-0.09 (sys) SNuB (SNuB = 10^-12 SNe L_{sun,B}^-1 yr^-1). In units of stellar mass, this translates to 0.36 +0.16-0.13 (stat) +0.07-0.06 (sys) SNuM (SNuM = 10^-12 SNe M_sun^-1 yr^-1). This represents a factor of approximately 5 +/- 2 increase over measurements of the cluster rate at z < 0.2. We parameterize the late-time SN Ia delay time distribution with a power law (proportional to t^s). Under the assumption of a cluster formation redshift of z_f = 3, our rate measurement in combination with lower-redshift cluster SN Ia rates constrains s = -1.31 +0.55-0.40, consistent with measurements of the delay time distribution in the field. This measurement is also consistent with the value of s ~ -1 typically expected for the "double degenerate" SN Ia progenitor scenario, and inconsistent with some models for the "single degenerat...

  16. Enabling Diverse Software Stacks on Supercomputers using High Performance Virtual Clusters.

    Energy Technology Data Exchange (ETDEWEB)

    Younge, Andrew J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Pedretti, Kevin [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Grant, Ryan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Brightwell, Ron [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-05-01

    While large-scale simulations have been the hallmark of the High Performance Computing (HPC) community for decades, Large Scale Data Analytics (LSDA) workloads are gaining attention within the scientific community not only as a processing component to large HPC simulations, but also as standalone scientific tools for knowledge discovery. With the path towards Exascale, new HPC runtime systems are also emerging in a way that differs from classical distributed com- puting models. However, system software for such capabilities on the latest extreme-scale DOE supercomputing needs to be enhanced to more appropriately support these types of emerging soft- ware ecosystems. In this paper, we propose the use of Virtual Clusters on advanced supercomputing resources to enable systems to support not only HPC workloads, but also emerging big data stacks. Specifi- cally, we have deployed the KVM hypervisor within Cray's Compute Node Linux on a XC-series supercomputer testbed. We also use libvirt and QEMU to manage and provision VMs directly on compute nodes, leveraging Ethernet-over-Aries network emulation. To our knowledge, this is the first known use of KVM on a true MPP supercomputer. We investigate the overhead our solution using HPC benchmarks, both evaluating single-node performance as well as weak scaling of a 32-node virtual cluster. Overall, we find single node performance of our solution using KVM on a Cray is very efficient with near-native performance. However overhead increases by up to 20% as virtual cluster size increases, due to limitations of the Ethernet-over-Aries bridged network. Furthermore, we deploy Apache Spark with large data analysis workloads in a Virtual Cluster, ef- fectively demonstrating how diverse software ecosystems can be supported by High Performance Virtual Clusters.

  17. Comparison of clustering methods for high-dimensional single-cell flow and mass cytometry data.

    Science.gov (United States)

    Weber, Lukas M; Robinson, Mark D

    2016-12-01

    Recent technological developments in high-dimensional flow cytometry and mass cytometry (CyTOF) have made it possible to detect expression levels of dozens of protein markers in thousands of cells per second, allowing cell populations to be characterized in unprecedented detail. Traditional data analysis by "manual gating" can be inefficient and unreliable in these high-dimensional settings, which has led to the development of a large number of automated analysis methods. Methods designed for unsupervised analysis use specialized clustering algorithms to detect and define cell populations for further downstream analysis. Here, we have performed an up-to-date, extensible performance comparison of clustering methods for high-dimensional flow and mass cytometry data. We evaluated methods using several publicly available data sets from experiments in immunology, containing both major and rare cell populations, with cell population identities from expert manual gating as the reference standard. Several methods performed well, including FlowSOM, X-shift, PhenoGraph, Rclusterpp, and flowMeans. Among these, FlowSOM had extremely fast runtimes, making this method well-suited for interactive, exploratory analysis of large, high-dimensional data sets on a standard laptop or desktop computer. These results extend previously published comparisons by focusing on high-dimensional data and including new methods developed for CyTOF data. R scripts to reproduce all analyses are available from GitHub (https://github.com/lmweber/cytometry-clustering-comparison), and pre-processed data files are available from FlowRepository (FR-FCM-ZZPH), allowing our comparisons to be extended to include new clustering methods and reference data sets. © 2016 The Authors. Cytometry Part A published by Wiley Periodicals, Inc. on behalf of ISAC.

  18. Globular Cluster Abundances from High-Resolution, Integrated-Light Spectroscopy. II. Expanding the Metallicity Range for Old Clusters and Updated Analysis Techniques

    CERN Document Server

    Colucci, J E; McWilliam, A

    2016-01-01

    We present abundances of globular clusters in the Milky Way and Fornax from integrated light spectra. Our goal is to evaluate the consistency of the integrated light analysis relative to standard abundance analysis for individual stars in those same clusters. This sample includes an updated analysis of 7 clusters from our previous publications and results for 5 new clusters that expand the metallicity range over which our technique has been tested. We find that the [Fe/H] measured from integrated light spectra agrees to $\\sim$0.1 dex for globular clusters with metallicities as high as [Fe/H]=$-0.3$, but the abundances measured for more metal rich clusters may be underestimated. In addition we systematically evaluate the accuracy of abundance ratios, [X/Fe], for Na I, Mg I, Al I, Si I, Ca I, Ti I, Ti II, Sc II, V I, Cr I, Mn I, Co I, Ni I, Cu I, Y II, Zr I, Ba II, La II, Nd II, and Eu II. The elements for which the integrated light analysis gives results that are most similar to analysis of individual stellar ...

  19. The High-Mass Stellar Initial Mass Function in M31 Clusters

    CERN Document Server

    Weisz, Daniel R; Foreman-Mackey, Daniel; Dolphin, Andrew E; Beerman, Lori C; Williams, Benjamin F; Dalcanton, Julianne J; Rix, Hans-Walter; Hogg, David W; Fouesneau, Morgan; Johnson, Benjamin D; Bell, Eric F; Boyer, Martha L; Gouliermis, Dimitrios; Guhathakurta, Puragra; Kalirai, Jason S; Lewis, Alexia R; Seth, Anil C; Skillman, Evan D

    2015-01-01

    We have undertaken the largest systematic study of the high-mass stellar initial mass function (IMF) to date using the optical color-magnitude diagrams (CMDs) of 85 resolved, young (4 Myr 2 Msun. For the ensemble of clusters, the distribution of stellar MF slopes is best described by $\\Gamma=+1.45^{+0.03}_{-0.06}$ with a very small intrinsic scatter. The data also imply no significant dependencies of the MF slope on cluster age, mass, and size, providing direct observational evidence that the measured MF represents the IMF. This analysis implies that the high-mass IMF slope in M31 clusters is universal with a slope ($\\Gamma=+1.45^{+0.03}_{-0.06}$) that is steeper than the canonical Kroupa (+1.30) and Salpeter (+1.35) values. Using our inference model on select Milky Way (MW) and LMC high-mass IMF studies from the literature, we find $\\Gamma_{\\rm MW} \\sim+1.15\\pm0.1$ and $\\Gamma_{\\rm LMC} \\sim+1.3\\pm0.1$, both with intrinsic scatter of ~0.3-0.4 dex. Thus, while the high-mass IMF in the Local Group may be unive...

  20. Vortex Clusters and Their Time Evolution in High- Reynolds-Number Turbulence

    Science.gov (United States)

    Ishihara, Takashi; Uno, Atsuya; Morishita, Koji; Yokokawa, Mitsuo; Kaneda, Yukio

    2016-11-01

    Time series data (with a time interval of 4τη) obtained by high-resolution direct numerical simulations (DNSs) of forced incompressible turbulence in a periodic box, with a maximum of 122883 grid points and Taylor micro-scale Reynolds numbers Rλ up to 2300, are used to study the vortex dynamics in high Reynolds number (Re) turbulent flows. Here τη is the Kolmogorov time scale. A visualization method to handle such large-scale data was developed for this study. In the high Re turbulence generated by the DNS, we observed the dynamics of tube-like vortex clusters of various sizes, which are constructed by strong micro vortices. For example, we observed the generation of the tube-like clusters of various sizes and the processes of their merging and breakdown. We also observed layer-like vortex clusters of the order of the integral length scale forming shear layers in the high Re turbulence. This research used computational resources of the K computer and other computers of the HPCI system provided by the AICS and the ITC of Nagoya University through the HPCI System Research Project (Project ID:hp150174, hp160102).

  1. A High Throughput Method for Measuring Polycyclic Aromatic Hydrocarbons in Seafood Using QuEChERS Extraction and SBSE

    Directory of Open Access Journals (Sweden)

    Edward A. Pfannkoch

    2015-01-01

    Full Text Available National Oceanic and Atmospheric Administration (NOAA Method NMFS-NWFSC-59 2004 is currently used to quantitatively analyze seafood for polycyclic aromatic hydrocarbon (PAH contamination, especially following events such as the Deepwater Horizon oil rig explosion that released millions of barrels of crude oil into the Gulf of Mexico. This method has limited throughput capacity; hence, alternative methods are necessary to meet analytical demands after such events. Stir bar sorptive extraction (SBSE is an effective technique to extract trace PAHs in water and the quick, easy, cheap, effective, rugged, and safe (QuEChERS extraction strategy effectively extracts PAHs from complex food matrices. This study uses SBSE to concentrate PAHs and eliminate matrix interference from QuEChERS extracts of seafood, specifically oysters, fish, and shrimp. This method provides acceptable recovery (65–138% linear calibrations and is sensitive (LOD = 0.02 ppb, LOQ = 0.06 ppb while providing higher throughput and maintaining equivalency between NOAA 2004 as determined by analysis of NIST SRM 1974b mussel tissue.

  2. A New Star-Formation Rate Calibration from Polycyclic Aromatic Hydrocarbon Emission Features and Application to High Redshift Galaxies

    CERN Document Server

    Shipley, Heath V; Rieke, George H; Brown, Michael J I; Moustakas, John

    2016-01-01

    We calibrate the integrated luminosity from the polycyclic aromatic hydrocarbon (PAH) features at 6.2\\micron, 7.7\\micron\\ and 11.3\\micron\\ in galaxies as a measure of the star-formation rate (SFR). These features are strong (containing as much as 5-10\\% of the total infrared luminosity) and suffer minimal extinction. Our calibration uses \\spitzer\\ Infrared Spectrograph (IRS) measurements of 105 galaxies at $0 < z < 0.4$, infrared (IR) luminosities of $10^9 - 10^{12} \\lsol$, combined with other well-calibrated SFR indicators. The PAH luminosity correlates linearly with the SFR as measured by the extinction-corrected \\ha\\ luminosity over the range of luminosities in our calibration sample. The scatter is 0.14 dex comparable to that between SFRs derived from the \\paa\\ and extinction-corrected \\ha\\ emission lines, implying the PAH features may be as accurate a SFR indicator as hydrogen recombination lines. The PAH SFR relation depends on gas-phase metallicity, for which we supply an empirical correction for...

  3. Facile synthesis of surfactant-free Au cluster/graphene hybrids for high-performance oxygen reduction reaction.

    Science.gov (United States)

    Yin, Huajie; Tang, Hongjie; Wang, Dan; Gao, Yan; Tang, Zhiyong

    2012-09-25

    Non-Pt noble metal clusters like Au clusters are believed to be promising high performance catalysts for the oxygen reduction reaction (ORR) at the cathode of fuel cells, but they still suffer big problems during the catalysis reactions, such as a large amount of the capping agents being on the surface and easy occurrence of dissolution and aggregation. To overcome these obstacles, here, we present a novel and general strategy to grow ultrafine Au clusters and other metal (Pt, Pd) clusters on the reduced graphene oxide (rGO) sheets without any additional protecting molecule or reductant. Compared with the currently generally adopted nanocatalysts, including commercial Pt/C, rGO sheets, Au nanoparticle/rGO hybrids, and thiol-capped Au clusters of the same sizes, the as-synthesized Au cluster/rGO hybrids display an impressive eletrocatalytic performance toward ORR, for instance, high onset potential, superior methanol tolerance, and excellent stability.

  4. Analysis of Fiber Clustering in Composite Materials Using High-Fidelity Multiscale Micromechanics

    Science.gov (United States)

    Bednarcyk, Brett A.; Aboudi, Jacob; Arnold, Steven M.

    2015-01-01

    A new multiscale micromechanical approach is developed for the prediction of the behavior of fiber reinforced composites in presence of fiber clustering. The developed method is based on a coupled two-scale implementation of the High-Fidelity Generalized Method of Cells theory, wherein both the local and global scales are represented using this micromechanical method. Concentration tensors and effective constitutive equations are established on both scales and linked to establish the required coupling, thus providing the local fields throughout the composite as well as the global properties and effective nonlinear response. Two nondimensional parameters, in conjunction with actual composite micrographs, are used to characterize the clustering of fibers in the composite. Based on the predicted local fields, initial yield and damage envelopes are generated for various clustering parameters for a polymer matrix composite with both carbon and glass fibers. Nonlinear epoxy matrix behavior is also considered, with results in the form of effective nonlinear response curves, with varying fiber clustering and for two sets of nonlinear matrix parameters.

  5. High resolution infrared spectroscopy of carbon dioxide clusters up to (CO2)13.

    Science.gov (United States)

    Norooz Oliaee, J; Dehghany, M; McKellar, A R W; Moazzen-Ahmadi, N

    2011-07-28

    Thirteen specific infrared bands in the 2350 cm(-1) region are assigned to carbon dioxide clusters, (CO(2))(N), with N = 6, 7, 9, 10, 11, 12 and 13. The spectra are observed in direct absorption using a tuneable infrared laser to probe a pulsed supersonic jet expansion of a dilute mixture of CO(2) in He carrier gas. Assignments are aided by cluster structure calculations made using two reliable CO(2) intermolecular potential functions. For (CO(2))(6), two highly symmetric isomers are observed, one with S(6) symmetry (probably the more stable form), and the other with S(4) symmetry. (CO(2))(13) is also symmetric (S(6)), but the remaining clusters are asymmetric tops with no symmetry elements. The observed rotational constants tend to be slightly (≈2%) smaller than those from the predicted structures. The bands have increasing vibrational blueshifts with increasing cluster size, similar to those predicted by the resonant dipole-dipole interaction model but significantly larger in magnitude.

  6. Dehydrogenative Aromatization of Saturated Aromatic Compounds by Graphite Oxide and Molecular Sieves

    Institute of Scientific and Technical Information of China (English)

    张轩; 徐亮; 王希涛; 马宁; 孙菲菲

    2012-01-01

    Graphite oxide (GO) has attracted much attention of material and catalysis chemists recently. Here we describe a combination of GO and molecular sieves for the dehydrogenative aromatization. GO prepared through improved Hummers method showed high oxidative activity in this reaction. Partially or fully saturated aromatic compounds were converted to their corresponding dehydrogenated aromatic products with fair to excellent conversions and selectivities. As both GO and molecular sieves are easily available, cheap, lowly toxic and have good tolerance to various functional groups, this reaction provides a facile approach toward aromatic compounds from their saturated precursors

  7. Clustering and dimensionality reduction for image retrieval in high-dimensional spaces

    Directory of Open Access Journals (Sweden)

    Soumia Benkrama

    2014-12-01

    Full Text Available The scalability of indexing techniques and image retrieval pose many problems. Indeed, their performance degrades rapidly when the database size increases. In this paper, we propose an efficient indexing method for high-dimensional spaces. We investigate how high-dimensional indexing methods can be used on a partitioned space into clusters to help the design of an efficient and robust CBIR scheme. We develop a new method for efficient clustering is used for structuring objects in the feature space; this method allows dividing the base into data groups according to their similarity, in function of the parameter threshold and vocabulary size. A comparative study is presented between the proposed method and a set of classification methods. The experiments results on the Pascal Visual Object Classes challenges (VOC of 2007 and Caltech-256 dataset show that our method significantly improves the performance. Experimental retrieval results based on the precision/recall measures show interesting results.

  8. Residential High-Rise Clusters as a Contemporary Planning Challenge in Manama

    Directory of Open Access Journals (Sweden)

    Florian Wiedmann

    2015-08-01

    Full Text Available This paper analyzes the different roots of current residential high-rise clusters emerging in new city districts along the coast of Bahrain’s capital city Manama, and the resulting urban planning and design challenges. Since the local real-estate markets were liberalized in Bahrain in 2003, the population grew rapidly to more than one million inhabitants. Consequently, the housing demand increased rapidly due to extensive immigration. Many residential developments were however constructed for the upper spectrum of the real-estate market, due to speculative tendencies causing a raise in land value. The emerging high-rise clusters are developed along the various waterfronts of Manama on newly reclaimed land. This paper explores the spatial consequences of the recent boom in construction boom and the various challenges for architects and urban planners to enhance urban qualities.

  9. Characterization of Magnetic Ni Clusters on Graphene Scaffold after High Vacuum Annealing

    CERN Document Server

    Zhang, Zhenjun; Grisafe, Benjamin; Lee, Ji Ung; Lloyd, James R

    2015-01-01

    Magnetic Ni nanoclusters were synthesized by electron beam deposition utilizing CVD graphene as a scaffold. The subsequent clusters were subjected to high vacuum (5-8 x10-7 torr) annealing between 300 and 600 0C. The chemical stability, optical and morphological changes were characterized by X-ray photoemission microscopy, Raman spectroscopy, atomic force microscopy and magnetic measurement. Under ambient exposure, nickel nanoparticles was observed to be oxidized quickly, forming antiferromagnetic nickel oxide. Here, we report that the majority of the oxidized nickel is in non-stoichiometric form and can be reduced under high vacuum at temperature as low as 300 0C. Importantly, the resulting annealed clusters are relatively stable and no further oxidation was detectable after three weeks of air exposure at room temperature.

  10. Achievable capacity design for irregular and clustered high performance mesh networks

    CSIR Research Space (South Africa)

    Olwal, TO

    2012-11-01

    Full Text Available and locations of terminal users [10]. Moreover, typical rural based wireless networks can be described by (i) long single hop links, (ii) limited and unreliable energy sources, and (iii) clustered distribution of Internet users [11]. The main problem... constitutes the need to increase capacity of community owned existing wireless broadband networks so that multimedia services can be delivered to remote and rural areas without losing connectivity [2]. Fig. 1: High Performance Node (HPN) TM [10] Fig. 2...

  11. Modeling High-energy and Very-high-energy gamma-rays from the Terzan 5 Cluster

    CERN Document Server

    Venter, C; Kopp, A; Büsching, I

    2011-01-01

    The Fermi Large Area Telescope (LAT) has recently detected a population of globular clusters (GCs) in high-energy (HE) gamma-rays. Their spectral properties and energetics are consistent with cumulative emission from a population of millisecond pulsars (MSPs) hosted by these clusters. For example, the HE spectra exhibit fairly hard power-law indices and cutoffs around a few GeV, typical of pulsed spectra measured for the gamma-ray pulsar population. The energetics may be used to constrain the number of visible MSPs in the cluster (N_vis), assuming canonical values for the average gamma-ray efficiency and spin-down power. This interpretation is indeed strengthened by the fact that the first gamma-ray MSP has now been identified in the GC NGC 6624, and this MSP is responsible for almost all of the HE emission from this cluster. On the other hand, it has been argued that the MSPs are also sources of relativistic leptons which may be reaccelerated in shocks originating in collisions of stellar winds in the cluste...

  12. Occurrence of polycyclic aromatic hydrocarbons in surface sediments of a highly urbanized river system with special reference to energy consumption patterns

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, K.; Wang, J.Z.; Liang, B.; Zeng, E.Y. [Chinese Academy Science, Guangzhou (China)

    2011-06-15

    Sediment samples collected from downstream of the Dongjiang River, a highly urbanized river network within the Pearl River Delta of South China, were analyzed for 28 polycyclic aromatic hydrocarbons (PAHs). Total concentrations of 28 PAHs, 16 priority PAHs designated by the United States Environmental Protection Agency (USEPA) and the seven carcinogenic PAHs classified by the USEPA ranged from 480 to 4600, 100 to 3400 and 10 to 1700 ng/g dry weight, respectively. Principal component analysis-based stepwise multivariate linear regression showed that sediment PAHs were predominantly derived from coal combustion, refined fossil fuel combustion and oil spills, accounting for 37%, 32% and 23%, respectively, of the total loading. The levels of sediment PAHs remained steady from 2002 to 2008, during which fossil fuel consumption had doubled, probably reflecting efforts to control PAH emissions from fossil fuel combustion. Finally, use of natural gas and liquefied petroleum gas in automobiles should be encouraged to improve environmental quality.

  13. Synthesis of a new cyclosporine-based stationary phase and separation behaviors toward aromatic positional isomers by high-performance liquid chromatography.

    Science.gov (United States)

    Liu, Wen-na; Fan, Jun; Lin, Chun; Zheng, Sheng-run; Zhang, Wei-guang

    2015-04-01

    A new cyclosporine-bonded stationary phase has been synthesized through the Staudinger reaction between azido cyclosporine A (CsA) and aminopropyl silica gel and applied in separations of six disubstituted aromatic analytes by high-performance liquid chromatography. For dimethyl phthalate, nitroaniline and chloronitrobenzene, their positional isomers were well-separated on this CsA stationary phase, in which the separation factor for m-/o-dimethyl phthalates was the biggest. For nitrotoluene, dichlorobenzene and benzenediol, the m-/o-isomers were co-eluted. Then, effects of chromatographic conditions (such as types and content of alcoholic modifiers) on separation of nitroaniline positional isomers have been investigated. Retention behaviors of nitroaniline isomers on the column exhibited the strengthening trend along with increasing carbon number of alcohols, from ethanol to 1-propanol, and to 1-butanol. A similar phenomenon was observed by lowering the content of alcohol.

  14. Characterization of highly proliferative secondary tumor clusters along host blood vessels in malignant glioma.

    Science.gov (United States)

    Wang, Ting-Chung; Cheng, Chun-Yu; Yang, Wei-Hsun; Chen, Wen-Cheng; Chang, Pey-Jium

    2015-11-01

    The aim of the present study was to investigate the extensive invasion of tumor cells into normal brain tissue, a life‑threatening feature of malignant gliomas. How invasive tumor cells migrate into normal brain tissue and form a secondary tumor structure remains to be elucidated. In the present study, the morphological and phenotypic changes of glioma cells during invasion in a C6 glioma model were investigated. C6 glioma cells were stereotactically injected into the right putamen region of adult Sprague‑Dawley rats. The brain tissue sections were then subjected to hematoxylin and eosin, immunohistochemical or immunofluorescent staining. High magnification views of the tissue sections revealed that C6 cells formed tumor spheroids following implantation and marked invasion was observed shortly after spheroid formation. In the later stages of invasion, certain tumor cells invaded the perivascular space and formed small tumor clusters. These small tumor clusters exhibited certain common features, including tumor cell multilayers surrounding an arteriole, which occurred up to several millimeters away from the primary tumor mass; a high proliferation rate; and similar gene expression profiles to the primary tumor. In conclusion, the present study revealed that invading tumor cells are capable of forming highly proliferative cell clusters along arterioles near the tumor margin, which may be a possible cause of the recurrence of malignant glioma.

  15. High resolution spectroscopic analysis of seven giants in the bulge globular cluster NGC 6723

    CERN Document Server

    Rojas-Arriagada, A; Vásquez, S; Ripepi, V; Musella, I; Marconi, M; Grado, A; Limatola, L

    2016-01-01

    Globular clusters associated with the Galactic bulge are important tracers of stellar populations in the inner Galaxy. High resolution analysis of stars in these clusters allows us to characterize them in terms of kinematics, metallicity, and individual abundances, and to compare these fingerprints with those characterizing field populations. We present iron and element ratios for seven red giant stars in the globular cluster NGC~6723, based on high resolution spectroscopy. High resolution spectra ($R\\sim48~000$) of seven K giants belonging to NGC 6723 were obtained with the FEROS spectrograph at the MPG/ESO 2.2m telescope. Photospheric parameters were derived from $\\sim130$ FeI and FeII transitions. Abundance ratios were obtained from line-to-line spectrum synthesis calculations on clean selected features. An intermediate metallicity of [Fe/H]$=-0.98\\pm0.08$ dex and a heliocentric radial velocity of $v_{hel}=-96.6\\pm1.3~km s^{-1}$ were found for NGC 6723. Alpha-element abundances present enhancements of $[O/...

  16. Magnetic microsphere-confined graphene for the extraction of polycyclic aromatic hydrocarbons from environmental water samples coupled with high performance liquid chromatography-fluorescence analysis.

    Science.gov (United States)

    Wang, Weina; Ma, Ruiyang; Wu, Qiuhua; Wang, Chun; Wang, Zhi

    2013-06-07

    In this paper, a magnetic microsphere-confined graphene adsorbent (Fe3O4@SiO2-G) was fabricated and used for the extraction of five polycyclic aromatic hydrocarbons (fluorene, anthracene, phenanthrene, fluoranthene and pyrene) from environmental water samples prior to high performance liquid chromatography with fluorescence detection. The Fe3O4@SiO2-G was characterized by various instrumental methods. Various experimental parameters that could affect the extraction efficiencies, such as the amount of Fe3O4@SiO2-G, the pH and ionic strength of sample solution, the extraction time and the desorption conditions, were investigated. Due to the high surface area and excellent adsorption capacity of the Fe3O4@SiO2-G, satisfactory extraction can be achieved with only 15mg of the adsorbent per 250mL solution and 5min extraction. Under the optimum conditions, a linear response was observed in the concentration range of 5-1500ngL(-1) for fluorene, 2.5-1500ngL(-1) for anthracene and 15-1500ngL(-1) for phenanthrene, fluoranthene and pyrene, with the correlation coefficients (r) ranging from 0.9897 to 0.9961. The limits of detection (S/N=3) of the method were between 0.5 and 5.0ngL(-1). The relative standard deviations (RSDs) were less than 5.6%. The recoveries of the method were in the range between 83.2% and 108.2%. The results indicated that this graphene-based magnetic nanocomposite had a great adsorptive ability toward the five polycyclic aromatic hydrocarbons from environmental water samples.

  17. High Performance Computing Based Parallel HIearchical Modal Association Clustering (HPAR HMAC)

    Energy Technology Data Exchange (ETDEWEB)

    2017-01-12

    For many applications, clustering is a crucial step in order to gain insight into the makeup of a dataset. The best approach to a given problem often depends on a variety of factors, such as the size of the dataset, time restrictions, and soft clustering requirements. The HMAC algorithm seeks to combine the strengths of 2 particular clustering approaches: model-based and linkage-based clustering. One particular weakness of HMAC is its computational complexity. HMAC is not practical for mega-scale data clustering. For high-definition imagery, a user would have to wait months or years for a result; for a 16-megapixel image, the estimated runtime skyrockets to over a decade! To improve the execution time of HMAC, it is reasonable to consider an multi-core implementation that utilizes available system resources. An existing imple-mentation (Ray and Cheng 2014) divides the dataset into N partitions - one for each thread prior to executing the HMAC algorithm. This implementation benefits from 2 types of optimization: parallelization and divide-and-conquer. By running each partition in parallel, the program is able to accelerate computation by utilizing more system resources. Although the parallel implementation provides considerable improvement over the serial HMAC, it still suffers from poor computational complexity, O(N2). Once the maximum number of cores on a system is exhausted, the program exhibits slower behavior. We now consider a modification to HMAC that involves a recursive partitioning scheme. Our modification aims to exploit divide-and-conquer benefits seen by the parallel HMAC implementation. At each level in the recursion tree, partitions are divided into 2 sub-partitions until a threshold size is reached. When the partition can no longer be divided without falling below threshold size, the base HMAC algorithm is applied. This results in a significant speedup over the parallel HMAC.

  18. G Clustering Is Important for the Initiation of Transcription-Induced R-Loops In Vitro, whereas High G Density without Clustering Is Sufficient Thereafter▿ †

    Science.gov (United States)

    Roy, Deepankar; Lieber, Michael R.

    2009-01-01

    R-loops form cotranscriptionally in vitro and in vivo at transcribed duplex DNA regions when the nascent RNA is G-rich, particularly with G clusters. This is the case for phage polymerases, as used here (T7 RNA polymerase), as well as RNA polymerases in bacteria, Saccharomyces cerevisiae, avians, mice, and humans. The nontemplate strand is left in a single-stranded configuration within the R-loop region. These structures are known to form at mammalian immunoglobulin class switch regions, thus exposing regions of single-stranded DNA for the action of AID, a single-strand-specific cytidine deaminase. R-loops form by thread-back of the RNA onto the template DNA strand, and here we report that G clusters are extremely important for the initiation phase of R-loop formation. Even very short regions with one GGGG sequence can initiate R-loops much more efficiently than random sequences. The high efficiencies observed with G clusters cannot be achieved by having a very high G density alone. Annealing of the transcript, which is otherwise disadvantaged relative to the nontemplate DNA strand because of unfavorable proximity while exiting the RNA polymerase, can offer greater stability if it occurs at the G clusters, thereby initiating an R-loop. R-loop elongation beyond the initiation zone occurs in a manner that is not as reliant on G clusters as it is on a high G density. These results lead to a model in which G clusters are important to nucleate the thread-back of RNA for R-loop initiation and, once initiated, the elongation of R-loops is primarily determined by the density of G on the nontemplate DNA strand. Without both a favorable R-loop initiation zone and elongation zone, R-loop formation is inefficient. PMID:19307304

  19. G clustering is important for the initiation of transcription-induced R-loops in vitro, whereas high G density without clustering is sufficient thereafter.

    Science.gov (United States)

    Roy, Deepankar; Lieber, Michael R

    2009-06-01

    R-loops form cotranscriptionally in vitro and in vivo at transcribed duplex DNA regions when the nascent RNA is G-rich, particularly with G clusters. This is the case for phage polymerases, as used here (T7 RNA polymerase), as well as RNA polymerases in bacteria, Saccharomyces cerevisiae, avians, mice, and humans. The nontemplate strand is left in a single-stranded configuration within the R-loop region. These structures are known to form at mammalian immunoglobulin class switch regions, thus exposing regions of single-stranded DNA for the action of AID, a single-strand-specific cytidine deaminase. R-loops form by thread-back of the RNA onto the template DNA strand, and here we report that G clusters are extremely important for the initiation phase of R-loop formation. Even very short regions with one GGGG sequence can initiate R-loops much more efficiently than random sequences. The high efficiencies observed with G clusters cannot be achieved by having a very high G density alone. Annealing of the transcript, which is otherwise disadvantaged relative to the nontemplate DNA strand because of unfavorable proximity while exiting the RNA polymerase, can offer greater stability if it occurs at the G clusters, thereby initiating an R-loop. R-loop elongation beyond the initiation zone occurs in a manner that is not as reliant on G clusters as it is on a high G density. These results lead to a model in which G clusters are important to nucleate the thread-back of RNA for R-loop initiation and, once initiated, the elongation of R-loops is primarily determined by the density of G on the nontemplate DNA strand. Without both a favorable R-loop initiation zone and elongation zone, R-loop formation is inefficient.

  20. Visible light photooxidative performance of a high-nuclearity molecular bismuth vanadium oxide cluster

    Directory of Open Access Journals (Sweden)

    Johannes Tucher

    2014-05-01

    Full Text Available The visible light photooxidative performance of a new high-nuclearity molecular bismuth vanadium oxide cluster, H3[{Bi(dmso3}4V13O40], is reported. Photocatalytic activity studies show faster reaction kinetics under anaerobic conditions, suggesting an oxygen-dependent quenching of the photoexcited cluster species. Further mechanistic analysis shows that the reaction proceeds via the intermediate formation of hydroxyl radicals which act as oxidant. Trapping experiments using ethanol as a hydroxyl radical scavenger show significantly decreased photocatalytic substrate oxidation in the presence of EtOH. Photocatalytic performance analyses using monochromatic visible light irradiation show that the quantum efficiency Φ for indigo photooxidation is strongly dependent on the irradiation wavelength, with higher quantum efficiencies being observed at shorter wavelengths (Φ395nm ca. 15%. Recycling tests show that the compound can be employed as homogeneous photooxidation catalyst multiple times without loss of catalytic activity. High turnover numbers (TON ca. 1200 and turnover frequencies up to TOF ca. 3.44 min−1 are observed, illustrating the practical applicability of the cluster species.

  1. High-resolution CCD spectra of stars in globular clusters. I - Oxygen in M13

    Science.gov (United States)

    Leep, E. M.; Wallerstein, G.; Oke, J. B.

    1986-01-01

    High-resolution (0.3 A) CCD spectra obtained at the 200 in. coude spectrograph have been analyzed for the abundances of O, Sc, Fe, and La in four stars in the globular cluster M13. Fe/H abundance is found to be = -1.6, as found by many other observers of this cluster. For three stars O/Fe abundance is found to be = +0.3 + or - 0.1, which is similar to O/Fe ratios in other globular clusters and metal-poor field stars. For star II-67, no oxygen line is visible at 6300 A and O/Fe abundance is found to be not greater than -0.4 (for a high carbon content) and not greater than -0.7 (for a low carbon content). The latter is more likely to be correct. Two possible explanations of the oxygen deficiency in II-67 are discussed: primordial deficiency, and CNO cycling at or above a temperature of 25,000,000 K.

  2. The Open Connectome Project Data Cluster: Scalable Analysis and Vision for High-Throughput Neuroscience.

    Science.gov (United States)

    Burns, Randal; Roncal, William Gray; Kleissas, Dean; Lillaney, Kunal; Manavalan, Priya; Perlman, Eric; Berger, Daniel R; Bock, Davi D; Chung, Kwanghun; Grosenick, Logan; Kasthuri, Narayanan; Weiler, Nicholas C; Deisseroth, Karl; Kazhdan, Michael; Lichtman, Jeff; Reid, R Clay; Smith, Stephen J; Szalay, Alexander S; Vogelstein, Joshua T; Vogelstein, R Jacob

    2013-01-01

    We describe a scalable database cluster for the spatial analysis and annotation of high-throughput brain imaging data, initially for 3-d electron microscopy image stacks, but for time-series and multi-channel data as well. The system was designed primarily for workloads that build connectomes- neural connectivity maps of the brain-using the parallel execution of computer vision algorithms on high-performance compute clusters. These services and open-science data sets are publicly available at openconnecto.me. The system design inherits much from NoSQL scale-out and data-intensive computing architectures. We distribute data to cluster nodes by partitioning a spatial index. We direct I/O to different systems-reads to parallel disk arrays and writes to solid-state storage-to avoid I/O interference and maximize throughput. All programming interfaces are RESTful Web services, which are simple and stateless, improving scalability and usability. We include a performance evaluation of the production system, highlighting the effec-tiveness of spatial data organization.

  3. Extreme deformations and clusterization at high spin in the A ~ 40 mass region

    Science.gov (United States)

    Ray, Debisree; Afanasjev, Anatoli

    2015-10-01

    Recent revival of the interest to the study of superdeformation and clusterization in light nuclei has motivated us to undertake the study of extreme deformations in the A ~ 32 - 50 N ~ Z nuclei. Unfortunately, at spin zero the predicted structures with extreme deformation are located at high excitation energies which prevents their experimental observation. On the other hand, the rotation brings such structures closer to the yrast line and, in principle, makes their observation possible with future generation of facilities such as GRETA. Thus, the systematic study of the extremely deformed structures and clusterization has been performed in the framework of cranked relativistic mean field theory. The major features of such structures, the spins at which they become yrast and the possiblities of their experimental observation will be discussed in this presentation. This work has been supported by the U.S. Department of Energy under the Grant DE-FG02-07ER41459.

  4. COSMIC-LAB: Unexpected Results from High-resolution Spectra of AGB Stars in Globular Clusters

    CERN Document Server

    Lapenna, Emilio

    2016-01-01

    This thesis is aimed at clarifying one of the least studied phases of stellar evolution: the asymptotic giant branch (AGB). Recent results obtained for Galactic globular clusters (GCs) suggest that the AGB stage may contain crucial information about the evolutionary history of exotic stars (Beccari et al. 2006) and multiple-populations (Campbell et al. 2013) in the parent cluster. The thesis presents the analysis of a large sample of high-resolution spectra of AGB stars in four Galactic GCs, acquired at the Very Large Telescope (ESO) and the 2.2 meter telescope (MPG). The obtained results provide evidence of a previously unknown physical mechanism affecting the neutral species of some chemical elements in the atmosphere of most AGB stars: because of it, the abundances derived from neutral lines are systematically underestimated, while those measured from ionized lines remain unaffected. Such a behaviour exactly corresponds to what expected in the case of non-local thermodynamic equilibrium (NLTE) conditions i...

  5. Dynamical real-space renormalization group calculations with a highly connected clustering scheme on disordered networks.

    Science.gov (United States)

    Balcan, D; Erzan, A

    2005-02-01

    We have defined a type of clustering scheme preserving the connectivity of the nodes in a network, ignored by the conventional Migdal-Kadanoff bond moving process. In high dimensions, our clustering scheme performs better for correlation length and dynamical critical exponents than the conventional Migdal-Kadanoff bond moving scheme. In two and three dimensions we find the dynamical critical exponents for the kinetic Ising model to be z=2.13 and z=2.09 , respectively, at the pure Ising fixed point. These values are in very good agreement with recent Monte Carlo results. We investigate the phase diagram and the critical behavior of randomly bond diluted lattices in d=2 and 3 in the light of this transformation. We also provide exact correlation exponent and dynamical critical exponent values on hierarchical lattices with power-law and Poissonian degree distributions.

  6. High performance liquid chromatography of substituted aromatics with the metal-organic framework MIL-100(Fe): Mechanism analysis and model-based prediction.

    Science.gov (United States)

    Qin, Weiwei; Silvestre, Martin Eduardo; Li, Yongli; Franzreb, Matthias

    2016-02-05

    Metal-organic framework (MOF) MIL-100(Fe) with well-defined thickness was homogenously coated onto the outer surface of magnetic microparticles via a liquid-phase epitaxy method. The as-synthesized MIL-100(Fe) was used as stationary phase for high-performance liquid chromatography (HPLC) and separations of two groups of mixed aromatic hydrocarbons (toluene, styrene and p-xylene; acetanilide, 2-nirtoaniline and 1-naphthylamine) using methanol/water as mobile phase were performed to evaluate its performance. Increasing water content of the mobile phase composition can greatly improve the separations on the expense of a longer elution time. Stepwise elution significantly shortens the elution time of acetanilide, 2-nirtoaniline and 1-naphthylamine mixtures, while still achieving a baseline separation. Combining the experimental results and in-depth modeling using a recently developed chromatographic software (ChromX), adsorption equilibrium parameters, including the affinities and maximum capacities, for each analyte toward the MIL-100(Fe) are obtained. In addition, the pore diffusivity of aromatic hydrocarbons within MIL-100(Fe) was determined to be 5×10(-12)m(2)s(-1). While the affinities of MIL-100(Fe) toward the analyte molecules differs much, the maximum capacities of the analytes are in a narrow range with q*MOFmax,toluene=3.55molL(-1), q*MOFmax,styrene or p-xylene=3.53molL(-1), and q*MOFmax,anilines=3.12molL(-1) corresponding to approximately 842 toluene and 838 styrene or p-xylene, and 740 aniline molecules per MIL-100(Fe) unit cell, respectively.

  7. Aromater i drikkevand

    DEFF Research Database (Denmark)

    Nyeland, B. A.; Hansen, A. B.

    DMU har den 10. Juni 1997 afholdt en præstationsprøvning: Aromater i drikkevand. Der deltog 21 laboratorier i præstationsprøvningen. Prøvningen omfattede 6 vandige prøver og 6 ampuller indeholdende 6 aromater. Laboratorierne spikede de tilsendte vandprøver med indholdet fra ampullerne...

  8. Cluster Mass Calibration at High Redshift: HST Weak Lensing Analysis of 13 Distant Galaxy Clusters from the South Pole Telescope Sunyaev-Zel'dovich Survey

    CERN Document Server

    Schrabback, T; Dietrich, J P; Hoekstra, H; Bocquet, S; Gonzalez, A H; von der Linden, A; McDonald, M; Morrison, C B; Raihan, S F; Allen, S W; Bayliss, M; Benson, B A; Bleem, L E; Chiu, I; Desai, S; Foley, R J; de Haan, T; High, F W; Hilbert, S; Mantz, A B; Massey, R; Mohr, J; Reichardt, C L; Saro, A; Simon, P; Stern, C; Stubbs, C W; Zenteno, A

    2016-01-01

    We present an HST/ACS weak gravitational lensing analysis of 13 massive high-redshift (z_median=0.88) galaxy clusters discovered in the South Pole Telescope (SPT) Sunyaev-Zel'dovich Survey. This study is part of a larger campaign that aims to robustly calibrate mass-observable scaling relations over a wide range in redshift to enable improved cosmological constraints from the SPT cluster sample. We introduce new strategies to ensure that systematics in the lensing analysis do not degrade constraints on cluster scaling relations significantly. First, we efficiently remove cluster members from the source sample by selecting very blue galaxies in V-I colour. Our estimate of the source redshift distribution is based on CANDELS data, where we carefully mimic the source selection criteria of the cluster fields. We apply a statistical correction for systematic photometric redshift errors as derived from Hubble Ultra Deep Field data and verified through spatial cross-correlations. We account for the impact of lensing...

  9. High resolution spectroscopic analysis of seven giants in the bulge globular cluster NGC 6723

    Science.gov (United States)

    Rojas-Arriagada, A.; Zoccali, M.; Vásquez, S.; Ripepi, V.; Musella, I.; Marconi, M.; Grado, A.; Limatola, L.

    2016-03-01

    Context. Globular clusters associated with the Galactic bulge are important tracers of stellar populations in the inner Galaxy. High resolution analysis of stars in these clusters allows us to characterize them in terms of kinematics, metallicity, and individual abundances, and to compare these fingerprints with those characterizing field populations. Aims: We present iron and element ratios for seven red giant stars in the globular cluster NGC 6723, based on high resolution spectroscopy. Methods: High resolution spectra (R ~ 48 000) of seven K giants belonging to NGC 6723 were obtained with the FEROS spectrograph at the MPG/ESO 2.2 m telescope. Photospheric parameters were derived from ~130 Fe i and Fe ii transitions. Abundance ratios were obtained from line-to-line spectrum synthesis calculations on clean selected features. Results: An intermediate metallicity of [Fe/H] = -0.98 ± 0.08 dex and a heliocentric radial velocity of vhel = -96.6 ± 1.3 km s-1 were found for NGC 6723. Alpha-element abundances present enhancements of [O/Fe] = 0.29 ± 0.18 dex, [Mg/Fe] = 0.23 ± 0.10 dex, [Si/Fe] = 0.36 ± 0.05 dex, and [Ca/Fe] = 0.30 ± 0.07 dex. Similar overabundance is found for the iron-peak Ti with [Ti/Fe] = 0.24 ± 0.09 dex. Odd-Z elements Na and Al present abundances of [Na/Fe] = 0.00 ± 0.21 dex and [Al/Fe] = 0.31 ± 0.21 dex, respectively. Finally, the s-element Ba is also enhanced by [Ba/Fe] = 0.22 ± 0.21 dex. Conclusions: The enhancement levels of NGC 6723 are comparable to those of other metal-intermediate bulge globular clusters. In turn, these enhancement levels are compatible with the abundance profiles displayed by bulge field stars at that metallicity. This hints at a possible similar chemical evolution with globular clusters and the metal-poor of the bulge going through an early prompt chemical enrichment.

  10. CLUSTER: A high-frequency H-mode coupled cavity linac for low and medium energies

    Energy Technology Data Exchange (ETDEWEB)

    Amaldi, Ugo [TERA Foundation, Via Puccini 11, 28100 Novara (Italy); University of Milano Bicocca, Milan (Italy)], E-mail: Ugo.Amaldi@cern.ch; Citterio, Alessandro; Crescenti, Massimo; Giuliacci, Arianna; Tronci, Cesare; Zennaro, Riccardo [TERA Foundation, Via Puccini 11, 28100 Novara (Italy)

    2007-09-11

    An innovative linear accelerating structure is proposed which is particularly suited for low-current hadrontherapy applications but can also conveniently substitute the conventional proton linacs at present considered for Accelerator Driven Systems and neutrino and muon factories. Its two main features are compactness and good power efficiency at low-medium beam velocities (0.05{<=}{beta}{<=}0.5). The first is achieved through a high working frequency and a consequent high accelerating gradient, the second is obtained by coupling several H-mode cavities together. The structure was dubbed CLUSTER for 'Coupled-cavity Linac USing Transverse Electric Radial field'. To compare the performance of this structure with other hadrontherapy linac designs involving high frequencies, a conceptual study has been performed for an operating frequency of 3 GHz. Moreover, a proof of principle has been obtained through RF measurements on a prototype operating at 1 GHz. An accelerator complex using a CLUSTER linac is also considered for protontherapy purposes. This total accelerator complex, called 'cyclinac', uses a commercial cyclotron as an injector to a high-frequency and high-gradient linac.

  11. Electron Attachment to Oxygen and Nitric-Oxide Clusters with High Energy Resolution

    Science.gov (United States)

    Scheier, P.; Senn, G.; Stampfli, P.; Mńrk, T. D.; Chu, Y.; Matejcik, S.; Stamatovic, A.; Illenberger, E.

    Highly monochrornatized electrons (with energy distributions of less than 15 meV FWHM) are used in a crossed beams experiment to investigate electron attachment to oxygen clusters (O2)n and nitric-oxide clusters (NO)n at electron energies from approximately zero eV up to several eV. At energies close to zero the attachment cross section for the reaction (X)n + e → X- (for X=O2 and NO, respectively) rises strongly with decreasing electron energy compatible with s-wave electron capture to Xn. Peaks in the oxygen attachment cross sections present at higher energies (80 meV, 193 meV,…) can be ascribed to vibrational levels of the anion. The vibrational spacings observed can be quantitatively accounted for by model calculations. In contrast, peaks at higher energies (220 meV, 440 meV,…) in the dissociative attachment cross sections for NOn are due to direct excitation of the vibrational levels in neutral NO prior to localization of the excess charge in the cluster (vibrational autoscavenging).

  12. Clusters of Factors Identify A High Prevalence of Pregnancy Involvement Among US Adolescent Males.

    Science.gov (United States)

    Lau, May; Lin, Hua; Flores, Glenn

    2015-08-01

    The study purpose was to use recursive partitioning analysis (RPA) to identify factors that, when clustered, are associated with a high prevalence of pregnancy involvement among US adolescent males. The National Survey of Family Growth is a nationally representative survey of individuals 15-44 years old. RPA was done for the 2002 and 2006-2010 cycles to identify factors which, when combined, identify adolescent males with the highest prevalence of pregnancy involvement. Pregnancy-involvement prevalence among adolescent males was 6 %. Two clusters of adolescent males have the highest pregnancy-involvement prevalence, at 84-87 %. In RPA, the highest pregnancy-involvement prevalence (87 %) was seen in adolescent males who ever HIV tested, had >4 lifetime sexual partners, reported less than an almost certain chance of feeling less physical pleasure with condom use, had an educational attainment of 4 lifetime sexual partners, reported less than an almost certain chance of feeling less physical pleasure with condom use, had an educational attainment ≥11th grade, were >17 years old, and had their first contraceptive education ≥10th grade, had a pregnancy-involvement prevalence of 84 %. Pregnancy-prevention efforts among adolescent males who have been involved in a pregnancy may need to target risk factors identified in clusters with the highest pregnancy prevalence to prevent subsequent pregnancies in these adolescent males and improve their future outcomes.

  13. A Numerical Method to Study Highly Correlated Nanostructures: The Logarithmic Discretization Embedded Cluster Approximation

    Science.gov (United States)

    Anda, E.; Chiappe, G.; Busser, C.; Davidovich, M.; Martins, G.; H-Meisner, F.; Dagotto, E.

    2008-03-01

    A numerical algorithm to study transport properties of highly correlated local structures is proposed. The method, dubbed the Logarithmic Discretization Embedded Cluster Approximation (LDECA), consists of diagonalizing a finite cluster containing the many-body terms of the Hamiltonian and embedding it into the rest of the system, combined with Wilson's ideas of a logarithmic discretization of the representation of the Hamiltonian. LDECA's rapid convergence eliminates finite-size effects commonly present in the embedding cluster approximation (ECA) method. The physics associated with both one embedded dot and a string of two dots side-coupled to leads is discussed. In the former case, our results accurately agree with Bethe ansatz (BA) data, while in the latter, the results are framed in the conceptual background of a two-stage Kondo problem. A diagrammatic expansion provides the theoretical foundation for the method. It is argued that LDECA allows for the study of complex problems that are beyond the reach of currently available numerical methods.

  14. Constraining the high redshift formation of black hole seeds in nuclear star clusters with gas inflows

    CERN Document Server

    Lupi, Alessandro; Devecchi, Bernadetta; Galanti, Giorgio; Volonteri, Marta

    2014-01-01

    In this paper we explore a possible route of black hole seed formation that appeal to a model by Davies, Miller & Bellovary who considered the case of the dynamical collapse of a dense cluster of stellar black holes subjected to an inflow of gas. Here, we explore this case in a broad cosmological context. The working hypotheses are that (i) nuclear star clusters form at high redshifts in pre-galactic discs hosted in dark matter halos, providing a suitable environment for the formation of stellar black holes in their cores, (ii) major central inflows of gas occur onto these clusters due to instabilities seeded in the growing discs and/or to mergers with other gas-rich halos, and that (iii) following the inflow, stellar black holes in the core avoid ejection due to the steepening to the potential well, leading to core collapse and the formation of a massive seed of $<~ 1000\\, \\rm M_\\odot$. We simulate a cosmological box tracing the build up of the dark matter halos and there embedded baryons, and explore...

  15. The evolution of the Galactic metallicity gradient from high-resolution spectroscopy of open clusters

    CERN Document Server

    Magrini, Laura; Randich, Sofia; Galli, Daniele

    2008-01-01

    Open clusters offer a unique possibility to study the time evolution of the radial metallicity gradients of several elements in our Galaxy, because they span large intervals in age and Galactocentric distance, and both quantities can be more accurately derived than for field stars. We re-address the issue of the Galactic metallicity gradient and its time evolution by comparing the empirical gradients traced by a sample of 45 open clusters with a chemical evolution model of the Galaxy. At variance with previous similar studies, we have collected from the literature only abundances derived from high--resolution spectra. The clusters have distances $7 < RGC<22$ kpc and ages from $\\sim 30$ Myr to 11 Gyr. We also consider the $\\alpha$-elements Si, Ca, Ti, and the iron-peak elements Cr and Ni. The data for iron-peak and $\\alpha$-elements indicate a steep metallicity gradient for R_GC<12$ kpc and a plateau at larger radii. The time evolution of the metallicity distribution is characterized by a uniform incr...

  16. GalICS V Low and high order clustering in mock SDSS's

    CERN Document Server

    Blaizot, J P; Budavari, T; Colombi, S; Devriendt, J E G; Guiderdoni, B; Pan, J; Szalay, A S; Szapudi, I

    2006-01-01

    [Abridged] We use mock catalogues based on the GALICS model (Hatton et al. 03) to explore the nature of galaxy clustering observed in the SDSS. We measure low and high order angular clustering statistic from these mock catalogues, after selecting galaxies the same way as for observations, and compare them directly to estimates from SDSS data. Note that we also present measurements of S3-S5 on the SDSS DR1. We find that our model is in general good agreement with observations in the scale/luminosity range where we can trust the predictions. This range is found to be limited (i) by the size of the dark matter simulation used -- which introduces finite volume effects at large scales -- and by the mass resolution of this simulation -- which introduces incompleteness at apparent magnitudes fainter than $r\\sim 20$. We then focus on the small scale clustering properties of galaxies and investigate the behaviour of three different prescriptions for positioning galaxies within haloes of dark matter. We show that galax...

  17. EFTIHIYA – THE NEWEST WINE AROMATIC VARIETY WITH PINK COLORED BERRY

    Directory of Open Access Journals (Sweden)

    Zamanidi P. C.

    2014-11-01

    Full Text Available The newest wine grape variety Eftihiya with aromatic pink colored skin (in Greek the name means “happi-ness” was breed with hybridization at the Athens In-stitute of Viticulture by P. Zamanidi, L. Troshin and P. Radchevskiy in 2005 by crossing the Greek varieties and Malaguzya with Eurasian Traminer pink. Dura-tion of production period from bud burst to harvest 146-155 days. Yields are very high: 25-30 t / ha. Modal mass of clusters is 250 g. Bunch is conical, me-dium density. Berry is medium, short elliptical, pink colored, with a thick wax coating. Pulp and juice with the expressed varietal flavor, similar to the aroma of Traminer pink. Sugar content of more than 24%. Vari-ety is designed for production for the dry white wines of excellent class and high-quality sparkling, dessert and sweet wines; suitable for the production of high quality aromatic juices

  18. Monitoring the cluster of high-risk mortality areas in the southwest of Spain

    Directory of Open Access Journals (Sweden)

    Maria Buxó-Pujolràs

    2012-11-01

    Full Text Available Inspired by a previous study showing a striking geographical mortality clustering, not attributable to chance, in the south-western region of Spain in 1987-1995, the authors have conducted an ecological study of time trends in all-cause mortality risk between 1987-1995 and 1996-2004 in 2,218 small areas of Spain. To identify high-risk areas, age-adjusted relative risks for each area, stratified by sex and time period, were computed using a Bayesian approach. Areas of high-risk in both periods, or in the second period only, were identified. Annual excess mortality and percentage of people living in these high-risk areas, again stratified by sex and time period, were estimated. The cluster of high mortality risk areas identified in the southwest of Spain during 1987-1995 persisted in the period 1996-2004 with an increase in the number of highrisk areas and in annual excess of mortality. These increases showed a gender difference, being more pronounced in women.

  19. High-Resolution Chandra X-ray Imaging and Spectroscopy of the Sigma Orionis Cluster

    CERN Document Server

    Skinner, S L; Cohen, D H; Gagné, M; Owocki, S P; Townsend, R D

    2008-01-01

    We present results of a 90 ksec Chandra X-ray observation of the young sigma Orionis cluster (age ~3 Myr) obtained with the High Energy Transmission Grating Spectrometer. We use the high resolution grating spectrum and moderate resolution CCD spectrum of the massive central star sigma Ori AB (O9.5V + B0.5V) to test wind shock theories of X-ray emission and also analyze the high spatial resolution zero-order ACIS-S image of the central cluster region. Chandra detected 42 X-ray sources on the primary CCD (ACIS-S3). All but five have near-IR or optical counterparts and about one-fourth are variable. Notable high-mass stellar detections are sigma Ori AB, the magnetic B star sigma Ori E, and the B5V binary HD 37525. Most of the other detections have properties consistent with lower mass K or M-type stars. We present the first X-ray spectrum of the unusual infrared source IRS1 located 3.3 arc-sec north of sigma Ori AB, which is likely an embedded T Tauri star whose disk/envelope is being photoevaporated by sigma Or...

  20. Cluster Effects during High Pressure Supersonic Molecular Beam Injection into Plasma

    Institute of Scientific and Technical Information of China (English)

    YAOLianghua; FENGBeibin; DONGJiafu; LIWenzhong; FENGZhen; HONGWenyu; LIBo

    2001-01-01

    When we speak of clusters, we have in mind entities which have neither the well-defined compositions, geometries, and strong bonds of conventional molecules northe boundary-independent properties of bulk matter. For example, an aggregate of a few atoms held together by Van der Waals forces constitutes a cluster. But clusters need not be weakly bound, several metal atoms bound together also constitute a cluster. Clusters need not be composed of a single kind of chemical entity, either atomic or molecular,

  1. Properties of the open cluster Tombaugh 1 from high resolution spectroscopy and uvbyCaH$\\beta$ photometry

    CERN Document Server

    Silva, João V Sales; Anthony-Twarog, Barbara J; Bidin, Christian Moni; Costa, Edgardo; Twarog, Bruce A

    2015-01-01

    Open clusters can be the key to deepen our knowledge on various issues involving the structure and evolution of the Galactic disk and details of stellar evolution because a cluster's properties are applicable to all its members. However the number of open clusters with detailed analysis from high resolution spectroscopy and/or precision photometry imposes severe limitation on studies of these objects. To expand the number of open clusters with well-defined chemical abundances and fundamental parameters, we investigate the poorly studied, anticenter open cluster Tombaugh 1. Using precision uvbyCaH$\\beta$ photometry and high resolution spectroscopy, we derive the cluster's properties and, for the first time, present detailed abundance analysis of 10 potential cluster stars. Using radial position from the cluster center and multiple color indices, we have isolated a sample of unevolved probable, single-star members of Tombaugh 1. The weighted photometric metallicity from $m_1$ and $hk$ is [Fe/H] = -0.10 $\\pm$ 0....

  2. Cluster Mass Calibration at High Redshift: HST Weak Lensing Analysis of 13 Distant Galaxy Clusters from the South Pole Telescope Sunyaev-Zel'dovich Survey

    Energy Technology Data Exchange (ETDEWEB)

    Schrabback, T.; et al.

    2016-11-11

    We present an HST/ACS weak gravitational lensing analysis of 13 massive high-redshift (z_median=0.88) galaxy clusters discovered in the South Pole Telescope (SPT) Sunyaev-Zel'dovich Survey. This study is part of a larger campaign that aims to robustly calibrate mass-observable scaling relations over a wide range in redshift to enable improved cosmological constraints from the SPT cluster sample. We introduce new strategies to ensure that systematics in the lensing analysis do not degrade constraints on cluster scaling relations significantly. First, we efficiently remove cluster members from the source sample by selecting very blue galaxies in V-I colour. Our estimate of the source redshift distribution is based on CANDELS data, where we carefully mimic the source selection criteria of the cluster fields. We apply a statistical correction for systematic photometric redshift errors as derived from Hubble Ultra Deep Field data and verified through spatial cross-correlations. We account for the impact of lensing magnification on the source redshift distribution, finding that this is particularly relevant for shallower surveys. Finally, we account for biases in the mass modelling caused by miscentring and uncertainties in the mass-concentration relation using simulations. In combination with temperature estimates from Chandra we constrain the normalisation of the mass-temperature scaling relation ln(E(z) M_500c/10^14 M_sun)=A+1.5 ln(kT/7.2keV) to A=1.81^{+0.24}_{-0.14}(stat.) +/- 0.09(sys.), consistent with self-similar redshift evolution when compared to lower redshift samples. Additionally, the lensing data constrain the average concentration of the clusters to c_200c=5.6^{+3.7}_{-1.8}.

  3. Globular Cluster Abundances from High-resolution, Integrated-light Spectroscopy. II. Expanding the Metallicity Range for Old Clusters and Updated Analysis Techniques

    Science.gov (United States)

    Colucci, Janet E.; Bernstein, Rebecca A.; McWilliam, Andrew

    2017-01-01

    We present abundances of globular clusters (GCs) in the Milky Way and Fornax from integrated-light (IL) spectra. Our goal is to evaluate the consistency of the IL analysis relative to standard abundance analysis for individual stars in those same clusters. This sample includes an updated analysis of seven clusters from our previous publications and results for five new clusters that expand the metallicity range over which our technique has been tested. We find that the [Fe/H] measured from IL spectra agrees to ∼0.1 dex for GCs with metallicities as high as [Fe/H] = ‑0.3, but the abundances measured for more metal-rich clusters may be underestimated. In addition we systematically evaluate the accuracy of abundance ratios, [X/Fe], for Na i, Mg i, Al i, Si i, Ca i, Ti i, Ti ii, Sc ii, V i, Cr i, Mn i, Co i, Ni i, Cu i, Y ii, Zr i, Ba ii, La ii, Nd ii, and Eu ii. The elements for which the IL analysis gives results that are most similar to analysis of individual stellar spectra are Fe i, Ca i, Si i, Ni i, and Ba ii. The elements that show the greatest differences include Mg i and Zr i. Some elements show good agreement only over a limited range in metallicity. More stellar abundance data in these clusters would enable more complete evaluation of the IL results for other important elements. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

  4. Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers.

    Science.gov (United States)

    Yang, Xiaohong; Li, Changxia; Qi, Meiling; Qu, Liangti

    2016-08-19

    This work presents the separation performance of graphene-ZIF8 (G-Z) composite material as stationary phase for capillary gas chromatography (GC). The G-Z stationary phase achieved high column efficiency of 5000 plates/m determined by n-dodecane (k=1.22) at 120°C and showed weakly polar nature. Importantly, it exhibited high selectivity and resolving capability for branched alkane isomers and aromatic positional isomers, showing clear advantages over the reported neat graphene and ZIF8. In addition, it attained high resolution for geometric cis-/trans-isomers. The G-Z column exhibited good column thermal stability up to 300°C and column repeatability with RSD values of retention times in the range of 0.01-0.19% for intra-day, 0.05-0.88% for inter-day and 0.66-5.6% for between-column, respectively, Moreover, the G-Z column was employed for the determination of minor impurity isomers in real reagent samples, which demonstrates its promising potential in GC applications.

  5. Biodegradation of high concentrations of mixed polycyclic aromatic hydrocarbons by indigenous bacteria from a river sediment: a microcosm study and bacterial community analysis.

    Science.gov (United States)

    Muangchinda, Chanokporn; Yamazoe, Atsushi; Polrit, Duangporn; Thoetkiattikul, Honglada; Mhuantong, Wuttichai; Champreda, Verawat; Pinyakong, Onruthai

    2017-02-01

    This study assessed the biodegradation of mixtures of polycyclic aromatic hydrocarbons (PAHs) by indigenous bacteria in river sediment. Microcosms were constructed from sediment from the Chao Phraya River (the main river in Thailand) by supplementation with high concentrations of fluorene, phenanthrene, pyrene (300 mg kg(-1) of each PAH), and acenaphthene (600 mg kg(-1)). Fluorene and phenanthrene were completely degraded, whereas 50% of the pyrene and acenaphthene were removed at the end of the incubation period (70 days). Community analyses revealed the dynamics of the bacterial profiles in the PAH-degrading microcosms after PAH exposure. Actinobacteria predominated and became significantly more abundant in the microcosms after 14 days of incubation at room temperature under aerobic conditions. Furthermore, the remaining PAHs and alpha diversity were positively correlated. The sequencing of clone libraries of the PAH-RHDα genes also revealed that the dioxygenase genes of Mycobacterium sp. comprised 100% of the PAH-RHDα library at the end of the microcosm setup. Moreover, two PAH-degrading Actinobacteria (Arthrobacter sp. and Rhodococcus ruber) were isolated from the original sediment sample and showed high activity in the degradation of phenanthrene and fluorene in liquid cultivation. This study reveals that indigenous bacteria had the ability to degrade high concentrations of mixed PAHs and provide clear evidence that Actinobacteria may be potential candidates to play a major role in PAH degradation in the river sediment.

  6. Graphdiyne oxides as excellent substrate for electroless deposition of Pd clusters with high catalytic activity.

    Science.gov (United States)

    Qi, Hetong; Yu, Ping; Wang, Yuexiang; Han, Guangchao; Liu, Huibiao; Yi, Yuanping; Li, Yuliang; Mao, Lanqun

    2015-04-29

    Graphdiyne (GDY), a novel kind of two-dimensional carbon allotrope consisting of sp- and sp(2)-hybridized carbon atoms, is found to be able to serve as the reducing agent and stabilizer for electroless deposition of highly dispersed Pd nanoparticles owing to its low reduction potential and highly conjugated electronic structure. Furthermore, we observe that graphdiyne oxide (GDYO), the oxidation form of GDY, can be used as an even excellent substrate for electroless deposition of ultrafine Pd clusters to form Pd/GDYO nanocomposite that exhibits a high catalytic performance toward the reduction of 4-nitrophenol. The high catalytic performance is considered to benefit from the rational design and electroless deposition of active metal catalysts with GDYO as the support.

  7. Collision of highly charged ion with clusters. Simulation study for electronic systems

    Energy Technology Data Exchange (ETDEWEB)

    Yabana, Kazuhiro [Niigata Univ. (Japan)

    1997-05-01

    Collision of highly charged ion with cluster, for example, collision of C{sub 60}-Ar{sup 8+} at E=80 KeV, was simulated by the time-dependence Kohn-Shame equation. The distribution of electron densities and the self-consistent potential were obtained. A part of C{sub 60} potential curve became depressed by the Coulomb force of ion, so that the saddle point was produced on the potential. The behavior of electron transfer on the saddle point was agreed with the classical barrier model. Time-dependent density functional method was explained. (S.Y.)

  8. Ultra-high energy cosmic rays clustering, GUT scale and neutrino masses

    CERN Document Server

    Fodor, Z

    2002-01-01

    The clustering of ultra high energy (above 5\\cdot 10^{19} eV) cosmic rays (UHECR) suggests that they might be emitted by compact sources. We present a statistical analysis on the source density based on the multiplicities. The propagation of UHECR protons is studied in detail. The UHECR spectrum is consistent with the decay of GUT scale particles and/or with the Z-burst. The predicted GUT mass is m_X=10^b GeV, where b=14.6_{-1.7}^{+1.6}. Our neutrino mass prediction depends on the origin of the power part of the spectrum: m_\

  9. The HST Frontier Fields: High-Level Science Data Products for the First 4 Completed Clusters, and Latest Data on the Remaining Clusters

    Science.gov (United States)

    Koekemoer, Anton M.; Mack, Jennifer; Lotz, Jennifer; Anderson, Jay; Avila, Roberto J.; Barker, Elizabeth A.; Borncamp, David; Gunning, Heather C.; Hilbert, Bryan; Khandrika, Harish G.; Lucas, Ray A.; Ogaz, Sara; Porterfield, Blair; Grogin, Norman A.; Robberto, Massimo; Flanagan, Kathryn; Mountain, Matt; HST Frontier Fields Team

    2016-01-01

    The Hubble Space Telescope Frontier Fields program is a large Director's Discretionary program of 840 orbits, to obtain ultra-deep observations of six strong lensing clusters of galaxies, together with parallel deep blank fields, making use of the strong lensing amplification by these clusters of distant background galaxies to detect the faintest galaxies currently observable in the high-redshift universe. The first four of these clusters are now complete, namely Abell 2744, MACS J0416.1-2403, MACS J0717.5+3745 and MACS J1149.5+2223, with each of these having been observed over two epochs, to a total depth of 140 orbits on the main cluster and an associated parallel field, using ACS (F435W, F606W, F814W) and WFC3/IR (F105W, F125W, F140W, F160W). The remaining two clusters, Abell 370 and Abell S1063, are currently in progress. Full sets of high-level science products have been generated for all these clusters by the team at STScI, including a total of 24 separate cumulative-depth data releases during each epoch, as well as full-depth version 1.0 releases at the end of each completed epoch. These products include all the full-depth distortion-corrected mosaics and associated products for each cluster, which are science-ready to facilitate the construction of lensing models as well as enabling a wide range of other science projects. Many improvements beyond default calibration for ACS and WFC3/IR are implemented in these data products, including corrections for persistence, time-variable sky, and low-level dark current residuals, as well as improvements in astrometric alignment to achieve milliarcsecond-level accuracy. The resulting high-level science products are delivered via the Mikulski Archive for Space Telescopes (MAST) to the community on a rapid timescale to enable the widest scientific use of these data, as well as ensuring a public legacy dataset of the highest possible quality that is of lasting value to the entire community.

  10. The HST Frontier Fields: High-Level Science Data Products for the First 4 Completed Clusters, and for the Last 2 Clusters Currently in Progress

    Science.gov (United States)

    Koekemoer, Anton M.; Mack, Jennifer; Lotz, Jennifer M.; Anderson, Jay; Avila, Roberto J.; Barker, Elizabeth A.; Borncamp, David; Gunning, Heather C.; Hilbert, Bryan; Khandrika, Harish G.; Lucas, Ray A.; Ogaz, Sara; Porterfield, Blair; Sunnquist, Ben; Grogin, Norman A.; Robberto, Massimo; Sembach, Kenneth; Flanagan, Kathryn; Mountain, Matt; HST Frontier Fields Team

    2016-06-01

    The Hubble Space Telescope Frontier Fields program (PI: J. Lotz) is a large Director's Discretionary program of 840 orbits, to obtain ultra-deep observations of six strong lensing clusters of galaxies, together with parallel deep blank fields, making use of the strong lensing amplification by these clusters of distant background galaxies to detect the faintest galaxies currently observable in the high-redshift universe. The first four of these clusters are now complete, namely Abell 2744, MACS J0416.1-2403, MACS J0717.5+3745 and MACS J1149.5+2223, with each of these having been observed over two epochs, to a total depth of 140 orbits on the main cluster and an associated parallel field, using ACS (F435W, F606W, F814W) and WFC3/IR (F105W, F125W, F140W, F160W). The remaining two clusters, Abell 370 and Abell S1063, are currently in progress, with the first epoch for each having been completed. Full sets of high-level science products have been generated for all these clusters by the team at STScI, including cumulative-depth v0.5 data releases during each epoch, as well as full-depth version 1.0 releases after the completion of each epoch. These products include all the full-depth distortion-corrected mosaics and associated products for each cluster, which are science-ready to facilitate the construction of lensing models as well as enabling a wide range of other science projects. Many improvements beyond default calibration for ACS and WFC3/IR are implemented in these data products, including corrections for persistence, time-variable sky, and low-level dark current residuals, as well as improvements in astrometric alignment to achieve milliarcsecond-level accuracy. The full set of resulting high-level science products are publicly delivered to the community via the Mikulski Archive for Space Telescopes (MAST) to enable the widest scientific use of these data, as well as ensuring a public legacy dataset of the highest possible quality that is of lasting value to the

  11. A high performance 3D cluster-based test of unsmoothed fMRI data.

    Science.gov (United States)

    Li, Huanjie; Nickerson, Lisa D; Xiong, Jinhu; Zou, Qihong; Fan, Yang; Ma, Yajun; Shi, Tingqi; Ge, Jianqiao; Gao, Jia-Hong

    2014-09-01

    Cluster-size tests (CST) based on random field theory have been widely adopted in fMRI data analysis to detect brain activation. However, most existing approaches can be used appropriately only when the image is highly smoothed in the spatial domain. Unfortunately, spatial smoothing degrades spatial specificity. Recently, a threshold-free cluster enhancement technique was proposed which does not require spatial smoothing, but this method can be used only for group level analysis. Advances in imaging technology now yield high quality high spatial resolution imaging data in single subjects and an inference approach that retains the benefits of greater spatial resolution is called for. In this work, we present a new CST with a correction for voxelation to address this problem. The theoretical formulation of the new approach based on Gaussian random fields is developed to estimate statistical significance using 3D statistical parametric maps without assuming spatial smoothness. Simulated phantom and resting-state fMRI experimental data are then used to compare the voxelation-corrected procedure to the widely used standard random field theory. Unlike standard random field theory approaches, which require heavy spatial smoothing, the new approach has a higher sensitivity for localizing activation regions without the requirement of spatial smoothness. Copyright © 2014 Elsevier Inc. All rights reserved.

  12. High Resolution HDS/SUBARU chemical abundances of the young stellar cluster Palomar 1

    CERN Document Server

    Monaco, L; Correnti, M; Bonifacio, P; Geisler, D

    2010-01-01

    Context. Palomar\\,1 is a peculiar globular cluster (GC). It is the youngest Galactic GC and it has been tentatively associated to several of the substructures recently discovered in the Milky Way (MW), including the Canis Major (CMa) overdensity and the Galactic Anticenter Stellar Structure (GASS). Aims. In order to provide further insights into its origin, we present the first high resolution chemical abundance analysis for one red giant in Pal\\,1. Methods. We obtained high resolution (R=30000) spectra for one red giant star in Pal\\,1 using the High Dispersion Spectrograph (HDS) mounted at the SUBARU telescope. We used ATLAS-9 model atmospheres coupled with the SYNTHE and WIDTH calculation codes to derive chemical abundances from the measured line equivalent widths of 18 among $\\alpha$, Iron-peak, light and heavy elements. Results. The Palomar~1 chemical pattern is broadly compatible to that of the MW open clusters population and similar to disk stars. It is, instead, remarkably different from that of the Sa...

  13. 1WGAJ1226.9+3332 a high redshift cluster discovered by Chandra

    CERN Document Server

    Cagnoni, I; Kim, D W; Mazzotta, P; Huang, J S; Celotti, A

    2001-01-01

    We report the detection of 1WGAJ1226.9+3332 as an arcminute scale extended X-ray source with the Chandra X-ray Observatory. The Chandra observation and R and K band imaging strongly support the identification of 1WGAJ1226.9+3332 as a high redshift cluster of galaxies, most probably at z=0.85 +- 0.15, with an inferred temperature kT =10 (+4;-3) keV and an unabsorbed luminosity (in a r=120" aperture) of 1.3 (+0.16;-0.14) x 1e45 erg/s (0.5-10 keV). This indication of redshift is also supported by the K and R band imaging, and is in agreement with the spectroscopic redshift of 0.89 found by Ebeling et al. (2001). The surface brightness profile is consistent with a beta-model with beta=0.770 +- 0.025, rc=(18.1 +-0.9)" (corresponding to 101 +- 5 kpc at z=0.89), and S(0)=1.02 +- 0.08 counts/arcsec**2. 1WGAJ1226.9+3332 was selected as an extreme X-ray loud source with FX/FV>60; this selection method, thanks to the large area sampled, seems to be a highly efficient method for finding luminous high z clusters of galaxi...

  14. Occurrence of polycyclic aromatic hydrocarbons in surface sediments of a highly urbanized river system with special reference to energy consumption patterns

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Kai [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Graduate School of Chinese Academy of Sciences, Beijing 100049 (China); Wang Jizhong [CAS Key Laboratory of Crust-Mantle Materials and Environment, School of Earth and Space Science, University of Science and Technology of China, Hefei 230026 (China); Liang Bo [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Graduate School of Chinese Academy of Sciences, Beijing 100049 (China); Zeng, Eddy Y., E-mail: eddyzeng@gig.ac.cn [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China)

    2011-06-15

    Sediment samples collected from downstream of the Dongjiang River, a highly urbanized river network within the Pearl River Delta of South China, were analyzed for 28 polycyclic aromatic hydrocarbons (PAHs). Total concentrations of 28 PAHs, 16 priority PAHs designated by the United States Environmental Protection Agency (USEPA) and the seven carcinogenic PAHs classified by the USEPA ranged from 480 to 4600, 100 to 3400 and 10 to 1700 ng/g dry weight, respectively. Principal component analysis-based stepwise multivariate linear regression showed that sediment PAHs were predominantly derived from coal combustion, refined fossil fuel combustion and oil spills, accounting for 37%, 32% and 23%, respectively, of the total loading. The levels of sediment PAHs remained steady from 2002 to 2008, during which fossil fuel consumption had doubled, probably reflecting efforts to control PAH emissions from fossil fuel combustion. Finally, use of natural gas and liquefied petroleum gas in automobiles should be encouraged to improve environmental quality. - Highlights: > PAHs in sediment showed similar input sources as those in air particles. > Combustion of fossil fuel is the predominant source for sediment PAHs. > Local efforts to control PAHs emissions from fossil fuel combustion were effective. > Promotion of natural gas and liquefied petroleum gas can reduce emissions of PAHs. - Occurrence of PAHs in surface sediments from a highly urbanized river system is assessed in relation to energy consumption patterns.

  15. In situ solvothermal synthesis of metal-organic framework coated fiber for highly sensitive solid-phase microextraction of polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Gao, Jia; Huang, Chuanhui; Lin, Yifen; Tong, Ping; Zhang, Lan

    2016-03-04

    The present work reported a facile and simple in situ solvothermal growth method for immobilization of metal-organic framework UiO-66 via covalent bonding on amino functional silica fiber for highly sensitive solid-phase microextraction (SPME) of ten polycyclic aromatic hydrocarbons (PAHs) by coupling with gas chromatography-mass spectrometry (GC-MS) analysis. The developed SPME coated fiber has been characterized through SEM, TGA and XRD, confirmed the coating thickness of ∼25μm with high thermal and chemical stability. Under optimized conditions, the obtained method exhibited satisfactory linearity in range of 1.0-5000.0ngL(-1) for all the PAHs. The low detection limits were from 0.28ngL(-1) to 0.60ngL(-1) (S/N=3). The UiO-66 coated fibers showed good repeatability (RSDs less than 8.2%, n=5) and satisfying reproducibility between fiber to fiber (RSDs less than 8.9%, n=5). This method was successfully used for simultaneous determination of ten PAHs from Minjiang water and soil samples with satisfactory recoveries of 87.0-113.6% and 83.8-116.7%, respectively. Experimental results shows that the chemical bonding approach has dramatically improve the stability and lifetime of pure MOFs coating for SPME in sample pretreatment.

  16. A highly sensitive monoclonal antibody based biosensor for quantifying 3–5 ring polycyclic aromatic hydrocarbons (PAHs in aqueous environmental samples

    Directory of Open Access Journals (Sweden)

    Xin Li

    2016-03-01

    Full Text Available Immunoassays based on monoclonal antibodies (mAbs are highly sensitive for the detection of polycyclic aromatic hydrocarbons (PAHs and can be employed to determine concentrations in near real-time. A sensitive generic mAb against PAHs, named as 2G8, was developed by a three-step screening procedure. It exhibited nearly uniformly high sensitivity against 3-ring to 5-ring unsubstituted PAHs and their common environmental methylated PAHs, with IC50 values between 1.68 and 31 μg/L (ppb. 2G8 has been successfully applied on the KinExA Inline Biosensor system for quantifying 3–5 ring PAHs in aqueous environmental samples. PAHs were detected at a concentration as low as 0.2 μg/L. Furthermore, the analyses only required 10 min for each sample. To evaluate the accuracy of the 2G8-based biosensor, the total PAH concentrations in a series of environmental samples analyzed by biosensor and GC–MS were compared. In most cases, the results yielded a good correlation between methods. This indicates that generic antibody 2G8 based biosensor possesses significant promise for a low cost, rapid method for PAH determination in aqueous samples.

  17. Model-based Clustering of High-Dimensional Data in Astrophysics

    Science.gov (United States)

    Bouveyron, C.

    2016-05-01

    The nature of data in Astrophysics has changed, as in other scientific fields, in the past decades due to the increase of the measurement capabilities. As a consequence, data are nowadays frequently of high dimensionality and available in mass or stream. Model-based techniques for clustering are popular tools which are renowned for their probabilistic foundations and their flexibility. However, classical model-based techniques show a disappointing behavior in high-dimensional spaces which is mainly due to their dramatical over-parametrization. The recent developments in model-based classification overcome these drawbacks and allow to efficiently classify high-dimensional data, even in the "small n / large p" situation. This work presents a comprehensive review of these recent approaches, including regularization-based techniques, parsimonious modeling, subspace classification methods and classification methods based on variable selection. The use of these model-based methods is also illustrated on real-world classification problems in Astrophysics using R packages.

  18. Ultrahigh gas storage both at low and high pressures in KOH-activated carbonized porous aromatic frameworks.

    KAUST Repository

    Li, Yanqiang

    2013-01-01

    The carbonized PAF-1 derivatives formed by high-temperature KOH activation showed a unique bimodal microporous structure located at 0.6 nm and 1.2 nm and high surface area. These robust micropores were confirmed by nitrogen sorption experiment and high-resolution transmission electron microscopy (TEM). Carbon dioxide, methane and hydrogen sorption experiments indicated that these novel porous carbon materials have significant gas sorption abilities in both low-pressure and high-pressure environments. Moreover the methane storage ability of K-PAF-1-750 is among the best at 35 bars, and its low-pressure gas adsorption abilities are also comparable to the best porous materials in the world. Combined with excellent physicochemical stability, these materials are very promising for industrial applications such as carbon dioxide capture and high-density clean energy storage.

  19. Cluster consensus of high-order multi-agent systems with switching topologies

    Science.gov (United States)

    Hou, Bo; Sun, Fuchun; Li, Hongbo; Chen, Yao; Xi, Jianxiang

    2016-09-01

    This paper investigates the cluster consensus problems of generic linear multi-agent systems with switching topologies. Sufficient criteria for cluster consensus, which generalise the results in existing literatures, are derived for both state feedback and observer-based control schemes. By using an averaging method, it is shown that cluster consensus can be achieved when the union of the acyclic topologies contains a directed spanning tree within each cluster frequently enough. We also provide a principle to construct digraphs with inter-cluster cyclic couplings that promote cluster consensus regardless of the magnitude of inter-agent coupling weights. Finally, numerical examples are given to demonstrate the effectiveness of the proposed approaches.

  20. SHORT COMMUNICATION POLYCYCLIC AROMATIC ...

    African Journals Online (AJOL)

    a

    *Corresponding author. E-mail: omotayosharafdeen@yahoo.com ... The levels of isolated polycyclic aromatic hydrocarbons (PAH) in ash residues of .... PAH standards, PAH recoveries and percentage recoveries are given in Table 2. In all the ...

  1. Long-term Memory and Volatility Clustering in Daily and High-frequency Price Changes

    CERN Document Server

    Oh, G J; Um, C J; Kim, Seunghwann; Oh, GabJin; Um, Cheol-Jun

    2006-01-01

    We study the long-term memory in diverse stock market indices and foreign exchange rates using the Detrended Fluctuation Analysis(DFA). For all daily and high-frequency market data studied, no significant long-term memory property is detected in the return series, while a strong long-term memory property is found in the volatility time series. The possible causes of the long-term memory property are investigated using the return data filtered by the AR(1) model, reflecting the short-term memory property, and the GARCH(1,1) model, reflecting the volatility clustering property, respectively. Notably, we found that the memory effect in the AR(1) filtered return and volatility time series remains unchanged, while the long-term memory property either disappeared or diminished significantly in the volatility series of the GARCH(1,1) filtered data. We also found that in the high-frequency data the long-term memory property may be generated by the volatility clustering as well as higher autocorrelation. Our results i...

  2. Scaling Underworld - building up from personal clusters to high performance centers

    Science.gov (United States)

    Cooper, C. M.; Moresi, L. N.

    2009-12-01

    Though most geodynamic modelers have access to either their own or university wide computer clusters, many mantle dynamics problems, such as 3D continental lithospheric deformation, demand the efficiency and power achieved by high performance computing centers. But how do we scale and optimize computational codes that have been built to run on hundreds of processors rather than petascale machines? In this session, we will present the relative performance trade-offs for specialized high performance machines at dedicated facilities versus the solution of not-especially-sophisticated, but well-integrated CPUs offered by personal computer clusters. We will discuss tuning issues common / different across the different platforms, such as the requirements on some machine for aggressive decomposition to make up for the lack of performance of each computational core which, though not optimal, may be necessary to provide sufficient memory and throughput for the job. We will comment on the cost-effectiveness of the different approaches available to an enthusiastic (perhaps foolhardy) geodynamicist.

  3. HT-Paxos: High Throughput State-Machine Replication Protocol for Large Clustered Data Centers

    Directory of Open Access Journals (Sweden)

    Vinit Kumar

    2015-01-01

    Full Text Available Paxos is a prominent theory of state-machine replication. Recent data intensive systems that implement state-machine replication generally require high throughput. Earlier versions of Paxos as few of them are classical Paxos, fast Paxos, and generalized Paxos have a major focus on fault tolerance and latency but lacking in terms of throughput and scalability. A major reason for this is the heavyweight leader. Through offloading the leader, we can further increase throughput of the system. Ring Paxos, Multiring Paxos, and S-Paxos are few prominent attempts in this direction for clustered data centers. In this paper, we are proposing HT-Paxos, a variant of Paxos that is the best suitable for any large clustered data center. HT-Paxos further offloads the leader very significantly and hence increases the throughput and scalability of the system, while at the same time, among high throughput state-machine replication protocols, it provides reasonably low latency and response time.

  4. A Highly Eccentric 3.9-Millisecond Binary Pulsar in the Globular Cluster NGC 6652

    CERN Document Server

    DeCesar, Megan E; Kaplan, David L; Ray, Paul S; Geller, Aaron M

    2015-01-01

    We present the Robert C. Byrd Green Bank Telescope discovery of the highly eccentric binary millisecond pulsar PSR J1835$-$3259A in the Fermi Large Area Telescope-detected globular cluster NGC 6652. Timing over one orbit yields the pulse period 3.89 ms, orbital period 9.25 d, eccentricity $\\sim 0.95$, and an unusually high companion mass of $0.74\\,M_{\\odot}$ assuming a $1.4\\,M_{\\odot}$ pulsar. We caution that the lack of data near periastron prevents a precise measurement of the eccentricity, and that further timing is necessary to constrain this and the other orbital parameters. From tidal considerations, we find that the companion must be a compact object. This system likely formed through an exchange encounter in the dense cluster environment. Our initial timing results predict the measurements of at least two post-Keplerian parameters with long-term phase-connected timing: the rate of periastron advance $\\dot{\\omega} \\sim 0.1^{\\circ}\\,$yr$^{-1}$, requiring 1 yr of phase connection; and the Einstein delay ...

  5. Nucleophilic fluorination of aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Satyamurthy, Nagichettiar; Barrio, Jorge R

    2014-03-18

    Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO.sub.2) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18]fluoride ion derived from anhydrous [F-18](F/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me.sub.4NF, Et.sub.4NF, n-Bu.sub.4NF, (PhCH.sub.2).sub.4NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F-18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.

  6. Trimerization of aromatic nitriles

    Science.gov (United States)

    Hsu, L. C. (Inventor)

    1977-01-01

    Triazine compounds and cross-linked polymer compositions were made by heating aromatic nitriles to a temperature in the range of about 100 C to about 700 C, in the presence of a catalyst or mixture of catalysts. Aromatic nitrile-modified (terminated and/or appended) imide, benzimidazole, imidazopyrrolone, quinoxaline, and other condensation type prepolymers or their precopolymers were made which were trimerized with or without a filler by the aforementioned catalytic trimerization process.

  7. Mesoporous titanium oxide with high-specific surface area as a coating for in-tube solid-phase microextraction combined with high-performance liquid chromatography for the analysis of polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Wang, Xiuqin; Feng, Juanjuan; Bu, Yanan; Tian, Yu; Luo, Chuannan; Sun, Min

    2017-06-01

    Stainless-steel wires coated with mesoporous titanium oxide were placed into a polyether ether ketone tube for in-tube solid-phase microextraction, and the coating sorbent was characterized by X-ray diffraction and scanning electron microscopy. It was combined with high-performance liquid chromatography to build an online system. Using eight polycyclic aromatic hydrocarbons as the analytes, some conditions including sample flow rate, sample volume, organic solvent content, and desorption time were investigated. Under optimum conditions, an online analysis method was established and provided good linearity (0.03-30 μg/L), low detection limits (0.01-0.10 μg/L), and high enrichment factors (77.6-678). The method was applied to determine target analytes in river water and water sample of coal ash, and the recoveries are in the range of 80.6-106.6 and 80.9-103.5%, respectively. Compared with estrogens and plasticizers, extraction coating shows better extraction efficiency for polycyclic aromatic hydrocarbons. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. XMM-Newton analysis of a newly discovered, extremely X-ray luminous galaxy cluster at high redshift

    Science.gov (United States)

    Thoelken, S.; Schrabback, T.

    2016-06-01

    Galaxy clusters, the largest virialized structures in the universe, provide an excellent method to test cosmology on large scales. The galaxy cluster mass function as a function of redshift is a key tool to determine the fundamental cosmological parameters and especially measurements at high redshifts can e.g. provide constraints on dark energy. The fgas test as a direct cosmological probe is of special importance. Therefore, relaxed galaxy clusters at high redshifts are needed but these objects are considered to be extremely rare in current structure formation models. Here we present first results from an XMM-Newton analysis of an extremely X-ray luminous, newly discovered and potentially cool core cluster at a redshift of z=0.9. We carefully account for background emission and PSF effects and model the cluster emission in three radial bins. Our preliminary results suggest that this cluster is indeed a good candidate for a cool core cluster and thus potentially of extreme value for cosmology.

  9. Automated Classification and Cluster Visualization of Genotypes Derived from High Resolution Melt Curves.

    Directory of Open Access Journals (Sweden)

    Sami Kanderian

    Full Text Available High Resolution Melting (HRM following PCR has been used to identify DNA genotypes. Fluorescent dyes bounded to double strand DNA lose their fluorescence with increasing temperature, yielding different signatures for different genotypes. Recent software tools have been made available to aid in the distinction of different genotypes, but they are not fully automated, used only for research purposes, or require some level of interaction or confirmation from an analyst.We describe a fully automated machine learning software algorithm that classifies unknown genotypes. Dynamic melt curves are transformed to multidimensional clusters of points whereby a training set is used to establish the distribution of genotype clusters. Subsequently, probabilistic and statistical methods were used to classify the genotypes of unknown DNA samples on 4 different assays (40 VKORC1, CYP2C9*2, CYP2C9*3 samples in triplicate, and 49 MTHFR c.665C>T samples in triplicate run on the Roche LC480. Melt curves of each of the triplicates were genotyped separately.Automated genotyping called 100% of VKORC1, CYP2C9*3 and MTHFR c.665C>T samples correctly. 97.5% of CYP2C9*2 melt curves were genotyped correctly with the remaining 2.5% given a no call due to the inability to decipher 3 melt curves in close proximity as either homozygous mutant or wild-type with greater than 99.5% posterior probability.We demonstrate the ability to fully automate DNA genotyping from HRM curves systematically and accurately without requiring any user interpretation or interaction with the data. Visualization of genotype clusters and quantification of the expected misclassification rate is also available to provide feedback to assay scientists and engineers as changes are made to the assay or instrument.

  10. Fast analysis of 29 polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs with ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry

    Science.gov (United States)

    Lung, Shih-Chun Candice; Liu, Chun-Hu

    2015-08-01

    Polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs are ubiquitous in the environment. Some of them are probable carcinogens and some are source markers. This work presents an ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry (UHPLC-APPI-MS/MS) method for simultaneous analysis of 20 PAHs and nine nitro-PAHs. These compounds are separated in 15 minutes in the positive mode and 11 minutes in the negative mode, one half of GC/MS analysis time. Two pairs of precursor/product ions are offered, which is essential for confirmation. This method separates and quantifies benzo[a]pyrene (the most toxic PAHs) and non-priority benzo[e]pyrene (isomers, little toxicity) to avoid overestimation of toxin levels, demonstrating its importance for health-related researches. With 0.5% 2,4-difluoroanisole in chlorobenzene as the dopant, limits of detection of PAHs except acenaphthylene and those of nitro-PAHs except 2-nitrofluoranthene are below 10 pg and 3 pg, respectively, mostly lower than or comparable to those reported using LC-related systems. The responses were linear over two orders of magnitude with fairly good accuracy and precision. Certified reference materials and real aerosol samples were analyzed to demonstrate its applicability. This fast, sensitive, and reliable method is the first UHPLC-APPI-MS/MS method capable of simultaneously analyzing 29 environmentally and toxicologically important PAHs and nitro-PAHs.

  11. Major solutes, metals, and alkylated aromatic compounds in high-latitude maritime snowpacks near the trans-Alaska pipeline terminal, Valdez, Alaska

    Energy Technology Data Exchange (ETDEWEB)

    Bower, Jonathan P; Hood, Eran; Hoferkamp, Lisa A [Department of Natural Sciences, University of Alaska Southeast, 11120 Glacier Highway, Juneau, AK 99801 (United States)], E-mail: jpbower@ucdavis.edu

    2008-10-15

    The chemical constituents within a snowpack can provide information about the atmosphere through which the snow was deposited. Valdez is located in south-central Alaska and has a high-latitude maritime climate, with annual snowfall typically exceeding 8 m within the city limits. Valdez is also the termination point of the trans-Alaska pipeline system, where tankers are loaded with crude oil from the North Slope of Alaska. Integrated samples of the top 1 m of snow were collected at seven sites near Valdez and analyzed for major solutes, lead, and alkylated aromatic compounds, in particular benzene, toluene, ethylbenzene, and xylene (BTEX). For comparison, sites were also sampled near Juneau, Alaska, which has a similar climate but no petroleum transport infrastructure. Major solute chemistry at all sites was dominated by chloride and was consistent with a marine air mass source of ions in precipitation. Sulfate levels in Valdez were typically on the order of 10 {mu}eq l{sup -1} and significantly higher than found in Juneau snow. Other major solute levels were low in Valdez and Juneau. Lead levels were below detection limits for all sites, with the exception of trace concentrations (<0.4 {mu}g l{sup -1}) reported at two Valdez locations. Alkylated organics were present at all Valdez locations, at levels similar to those documented previously in urban locations. No alkylated organics were detected in Juneau snowpacks.

  12. Fast analysis of 29 polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs with ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry.

    Science.gov (United States)

    Lung, Shih-Chun Candice; Liu, Chun-Hu

    2015-08-12

    Polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs are ubiquitous in the environment. Some of them are probable carcinogens and some are source markers. This work presents an ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry (UHPLC-APPI-MS/MS) method for simultaneous analysis of 20 PAHs and nine nitro-PAHs. These compounds are separated in 15 minutes in the positive mode and 11 minutes in the negative mode, one half of GC/MS analysis time. Two pairs of precursor/product ions are offered, which is essential for confirmation. This method separates and quantifies benzo[a]pyrene (the most toxic PAHs) and non-priority benzo[e]pyrene (isomers, little toxicity) to avoid overestimation of toxin levels, demonstrating its importance for health-related researches. With 0.5% 2,4-difluoroanisole in chlorobenzene as the dopant, limits of detection of PAHs except acenaphthylene and those of nitro-PAHs except 2-nitrofluoranthene are below 10 pg and 3 pg, respectively, mostly lower than or comparable to those reported using LC-related systems. The responses were linear over two orders of magnitude with fairly good accuracy and precision. Certified reference materials and real aerosol samples were analyzed to demonstrate its applicability. This fast, sensitive, and reliable method is the first UHPLC-APPI-MS/MS method capable of simultaneously analyzing 29 environmentally and toxicologically important PAHs and nitro-PAHs.

  13. [Determination of carcinogenic aromatic amines derived from azo colorants in textiles and leather by ultra high performance liquid chromatography-tandem mass spectrometry].

    Science.gov (United States)

    Wen, Yuyun; Ou, Yan; He, Mingchao; Gong, Zhenbin

    2013-04-01

    A rapid determination method was developed for the quantification and confirmation of 22 carcinogenic aromatic amines derived from azo colorants in textiles and leather by ultra high performance liquid chromatography-tandem electrospray ionization mass spectrometry (UHPLC-MS/MS). The methods of EN 14362-1:2012 (for textiles) and ISO 17234-1:2010 (for leather) were adopted for sample pretreatment, finally diluted with methanol. The target compounds were separated by an Eclipse XDB-C18 RRHD column and eluted with methanol and water in gradient, and then determined by positive electrospray ionization mass spectrometry under multiple reaction monitoring (MRM) mode. The external standard method was used for the quantitative analysis. The separation conditions, fragment voltages, collision energies, etc. were optimized. The limits of quantification (LOQ) were below 0.2 mg/kg for different compounds, matrix spike recoveries ranged from 70% to 120% at the spiked levels of 500, 1 000 and 1 500 microg/L, and the relative standard deviations (RSDs) were less than 15%. The proposed method is rapid, sensitive, accurate and selective.

  14. Aryl hydrocarbon receptor expression is associated with a family history of upper gastrointestinal tract cancer in a high-risk population exposed to aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Roth, M.J.; Wei, W.Q.; Baer, J.; Abnet, C.C.; Wang, G.Q.; Sternberg, L.R.; Warner, A.C.; Johnson, L.L.; Lu, N.; Giffen, C.A.; Dawsey, S.M.; Qiao, Y.L.; Cherry, J. [NCI, Bethesda, MD (United States)

    2009-09-15

    Polycyclic aromatic hydrocarbon (PAH) exposure is a risk factor for esophageal squamous cell carcinoma, and PAHs are ligands of the aryl hydrocarbon receptor (AhR). This study measured the expression of AhR and related genes in frozen esophageal cell samples from patients exposed to different levels of indoor air pollution, who did or did not have high-grade squamous dysplasia and who did or did not have a family history of upper gastrointestinal tract (UGI) cancer. 147 samples were evaluated, including 23 (16%) from patients with high-grade dysplasia and 48 (33%) from patients without dysplasia who heated their homes with coal, without a chimney (a 'high' indoor air pollution group), and 27 (18%) from patients with high-grade dysplasia and 49 (33%) from patients without dysplasia who did not heat their homes at all (a 'low' indoor air pollution group). Sixty-four (44%) had a family history of UGI cancer. RNA was extracted and quantitative PCR analysis was done. AhR gene expression was detectable in 85 (58%) of the samples and was >9-fold higher in those with a family history of UGI cancer (median expression (interquartile range), -1,964 (-18,000, -610) versus -18,000 (-18,000, -1036); P = 0.02, Wilcoxon rank-sum test). Heating status, dysplasia category, age, gender, and smoking were not associated with AhR expression (linear regression; all P values {ge} 0.1). AhR expression was higher in patients with a family history of UGI cancer. Such individuals may be more susceptible to the deleterious effects of PAH exposure, including PAH-induced cancer.

  15. A new catalog of homogenised absorption line indices for Milky Way globular clusters from high-resolution integrated spectroscopy

    CERN Document Server

    Kim, Hak-Sub; Sharples, Ray M; Vazdekis, Alexandre; Beasley, Michael A; Yoon, Suk-Jin

    2016-01-01

    We perform integrated spectroscopy of 24 Galactic globular clusters. Spectra are observed from one core radius for each cluster with a high wavelength resolution of ~2.0 A FWHM. In combination with two existing data sets from Puzia et al. (2002) and Schiavon et al. (2005), we construct a large database of Lick spectral indices for a total of 53 Galactic globular clusters with a wide range of metallicities, -2.4 < [Fe/H] < 0.1, and various horizontal-branch morphologies. The empirical index-to-metallicity conversion relationships are provided for the 20 Lick indices for the use of deriving metallicities for remote, unresolved stellar systems.

  16. Low cost, highly effective parallel computing achieved through a Beowulf cluster.

    Science.gov (United States)

    Bitner, Marc; Skelton, Gordon

    2003-01-01

    A Beowulf cluster is a means of bringing together several computers and using software and network components to make this cluster of computers appear and function as one computer with multiple parallel computing processors. A cluster of computers can provide comparable computing power usually found only in very expensive super computers or servers.

  17. Preparation of polydimethylsiloxane/beta-cyclodextrin/divinylbenzene coated "dumbbell-shaped" stir bar and its application to the analysis of polycyclic aromatic hydrocarbons and polycyclic aromatic sulfur heterocycles compounds in lake water and soil by high performance liquid chromatography.

    Science.gov (United States)

    Yu, Chunhe; Yao, Zhimin; Hu, Bin

    2009-05-01

    A "dumbbell-shaped" stir bar was proposed to prevent the friction loss of coating during the stirring process, and thus prolonged the lifetime of stir bars. The effects of the coating components, including polydimethylsiloxane (PDMS), beta-cyclodextrin (beta-CD) and divinylbenzene (DVB) were investigated according to an orthogonal experimental design, using three polycyclic aromatic hydrocarbons (PAHs) and four polycyclic aromatic sulfur heterocycles (PASHs) as model analytes. Four kinds of stir bars coated with PDMS, PDMS/beta-CD, PDMS/DVB and PDMS/beta-CD/DVB were prepared and their extraction efficiencies for the target compounds were compared. It was demonstrated that PDMS/beta-CD/DVB-coated stir bar showed the best affinity to the studied compounds. The preparation reproducibility of PDMS/beta-CD/DVB-coated stir bar ranged from 3.2% to 15.2% (n = 6) in one batch, and 5.2% to 13.4% (n = 6) among batches. The "dumbbell-shaped" stir bar could be used for about 40 times, which were 10 extractions more than a normal stir bar. The prepared PDMS/beta-CD/DVB-coated "dumbbell-shaped" stir bar was used for stir bar sorptive extraction (SBSE) of PAHs and PASHs and the desorbed solution was introduced into HPLC-UV for subsequent analysis. The limits of detection of the proposed method for seven target analytes ranged from 0.007 to 0.103 microg L(-1), the relative standard deviations were in the range of 6.3-12.9% (n = 6, c = 40 microg L(-1)), and the enrichment factors were 19-86. The proposed method was successfully applied to the analysis of seven target analytes in lake water and soil samples.

  18. Optimized high energy resolution in γ-ray spectroscopy with AGATA triple cluster detectors

    Energy Technology Data Exchange (ETDEWEB)

    Wiens, Andreas

    2011-06-20

    The AGATA demonstrator consists of five AGATA Triple Cluster (ATC) detectors. Each triple cluster detector contains three asymmetric, 36-fold segmented, encapsulated high purity germanium detectors. The purpose of the demonstrator is to show the feasibility of position-dependent γ-ray detection by means of γ-ray tracking, which is based on pulse shape analysis. The thesis describes the first optimization procedure of the first triple cluster detectors. Here, a high signal quality is mandatory for the energy resolution and the pulse shape analysis. The signal quality was optimized and the energy resolution was improved through the modification of the electronic properties, of the grounding scheme of the detector in particular. The first part of the work was the successful installation of the first four triple cluster detectors at INFN (National Institute of Nuclear Physics) in Legnaro, Italy, in the demonstrator frame prior to the AGATA commissioning experiments and the first physics campaign. The four ATC detectors combine 444 high resolution spectroscopy channels. This number combined with a high density were achieved for the first time for in-beam γ-ray spectroscopy experiments. The high quality of the ATC detectors is characterized by the average energy resolutions achieved for the segments of each crystal in the range of 1.943 and 2.131 keV at a γ-ray energy of 1.33 MeV for the first 12 crystals. The crosstalk level between individual detectors in the ATC is negligible. The crosstalk within one crystal is at a level of 10{sup -3}. In the second part of the work new methods for enhanced energy resolution in highly segmented and position sensitive detectors were developed. The signal-to-noise ratio was improved through averaging of the core and the segment signals, which led to an improvement of the energy resolution of 21% for γ-energies of 60 keV to a FWHM of 870 eV. In combination with crosstalk correction, a clearly improved energy resolution was

  19. Emerging Diluted Ferromagnetism in High-Tc Superconductors Driven by Point Defect Clusters.

    Science.gov (United States)

    Gazquez, Jaume; Guzman, Roger; Mishra, Rohan; Bartolomé, Elena; Salafranca, Juan; Magén, Cesar; Varela, Maria; Coll, Mariona; Palau, Anna; Valvidares, S Manuel; Gargiani, Pierluigi; Pellegrin, Eric; Herrero-Martin, Javier; Pennycook, Stephen J; Pantelides, Sokrates T; Puig, Teresa; Obradors, Xavier

    2016-06-01

    Defects in ceramic materials are generally seen as detrimental to their functionality and applicability. Yet, in some complex oxides, defects present an opportunity to enhance some of their properties or even lead to the discovery of exciting physics, particularly in the presence of strong correlations. A paradigmatic case is the high-temperature superconductor YBa2Cu3O7-δ (Y123), in which nanoscale defects play an important role as they can immobilize quantized magnetic flux vortices. Here previously unforeseen point defects buried in Y123 thin films that lead to the formation of ferromagnetic clusters embedded within the superconductor are unveiled. Aberration-corrected scanning transmission microscopy has been used for exploring, on a single unit-cell level, the structure and chemistry resulting from these complex point defects, along with density functional theory calculations, for providing new insights about their nature including an unexpected defect-driven ferromagnetism, and X-ray magnetic circular dichroism for bearing evidence of Cu magnetic moments that align ferromagnetically even below the superconducting critical temperature to form a dilute system of magnetic clusters associated with the point defects.

  20. A Parallel Multigrid Solver for High Frequency Electromagnetic Field Analyses with Small-scale PC Cluster

    Science.gov (United States)

    Yosui, Kuniaki; Iwashita, Takeshi; Mori, Michiya; Kobayashi, Eiichi

    Finite element analyses of electromagnetic field are commonly used for designing of various electronic devices. The scale of the analyses becomes larger and larger, therefore, a fast linear solver is needed to solve linear equations arising from the finite element method. Since a multigrid solver is the fastest linear solver for these problems, parallelization of a multigrid solver is a quite useful approach. From the viewpoint of industrial applications, an effective usage of a small-scale PC cluster is important due to initial cost for introducing parallel computers. In this paper, a distributed parallel multigrid solver for a small-scale PC cluster is developed. In high frequency electromagnetic field analyses, a special block Gauss-Seidel smoother is used for the multigrid solver instead of general smoothers such as Gauss-Seidel smoother or Jacobi smoother in order to improve a convergence rate. The block multicolor ordering technique is applied to parallelize the smoother. A numerical exsample shows that a 3.7-fold speed-up in computational time and a 3.0-fold increase in the scale of the analysis were attained when the number of CPU was increased from one to five.

  1. Segmentation of high angular resolution diffusion MRI using sparse riemannian manifold clustering.

    Science.gov (United States)

    Çetingül, H Ertan; Wright, Margaret J; Thompson, Paul M; Vidal, René

    2014-02-01

    We address the problem of segmenting high angular resolution diffusion imaging (HARDI) data into multiple regions (or fiber tracts) with distinct diffusion properties. We use the orientation distribution function (ODF) to model diffusion and cast the ODF segmentation problem as a clustering problem in the space of ODFs. Our approach integrates tools from sparse representation theory and Riemannian geometry into a graph theoretic segmentation framework. By exploiting the Riemannian properties of the space of ODFs, we learn a sparse representation for each ODF and infer the segmentation by applying spectral clustering to a similarity matrix built from these representations. In cases where regions with similar (resp. distinct) diffusion properties belong to different (resp. same) fiber tracts, we obtain the segmentation by incorporating spatial and user-specified pairwise relationships into the formulation. Experiments on synthetic data evaluate the sensitivity of our method to image noise and to the concentration parameters, and show its superior performance compared to alternative methods when analyzing complex fiber configurations. Experiments on phantom and real data demonstrate the accuracy of the proposed method in segmenting simulated fibers and white matter fiber tracts of clinical importance.

  2. GU Mon, a high-mass eclipsing overcontact binary in the young open cluster Dolidze 25

    CERN Document Server

    Lorenzo, J; Vilardell, F; Simón-Díaz, S; Pastor, P; Majuelos, M Méndez

    2016-01-01

    Context. The eclipsing binary GU Mon is located in the star-forming cluster Dolidze 25, which has the lowest metallicity measured in a Milky Way young cluster. Aims. GU Mon has been identified as a short-period eclipsing binary with two early B-type components. We set out to derive its orbital and stellar parameters. Methods. We present a comprehensive analysis, including B and V light curves and 11 high-resolution spectra, to verify the orbital period and determine parameters. We use the stellar atmosphere code FASTWIND to obtain stellar parameters and create templates for cross-correlation. We obtain a model to fit the light and radial-velocity curves using the Wilson-Devinney code iteratively and simultaneously. Results. The two components of GU Mon are identical stars of spectral type B1 V, with the same mass and temperature. The lightcurves are typical of an EW-type binary. The spectroscopic and photometric analyses agree on a period of 0.896640 +- 0.000007 d. We determine a mass of 9.0 +- 0.6 Msun for e...

  3. Yields of AGB and SAGB models with chemistry of low- and high-metallicity Globular Clusters

    CERN Document Server

    Ventura, P; Carini, R; D'Antona, F

    2013-01-01

    We present yields from stars of mass in the range Mohigh-Z Globular Clusters. The yields are based on full evolutionary computations, following the evolution of the stars from the pre-Main Sequence through the Asymptotic Giant Branch phase, until the external envelope is lost. Independently of metallicity, stars with M<3Mo are dominated by Third Dredge-Up, thus ejecting into their surroundings gas enriched in carbon and nitrogen. Conversely, Hot Bottom Burning is the main responsible for the modification of the surface chemistry of more massive stars, whose mass exceeds 3Mo: their gas shows traces of proton-capture nucleosynthesis. The extent of Hot Bottom Burning turns out to be strongly dependent on metallicity. In this paper we analyze the consequences of this fact. These results can be used to understand the role played by intermediate mass stars in the self-enrichment scenario of globular clusters: the resu...

  4. Detecting Massive, High-Redshift Galaxy Clusters Using the Thermal Sunyaev-Zel'dovich Effect

    Science.gov (United States)

    Adams, Carson; Steinhardt, Charles L.; Loeb, Abraham; Karim, Alexander; Staguhn, Johannes; Erler, Jens; Capak, Peter L.

    2017-01-01

    We develop the thermal Sunyaev-Zel'dovich (SZ) effect as a direct astrophysical measure of the mass distribution of dark matter halos. The SZ effect increases with cosmological distance, a unique astronomical property, and is highly sensitive to halo mass. We find that this presents a powerful methodology for distinguishing between competing models of the halo mass function distribution, particularly in the high-redshift domain just a few hundred million years after the Big Bang. Recent surveys designed to probe this epoch of initial galaxy formation such as CANDELS and SPLASH report an over-abundance of highly massive halos as inferred from stellar ultraviolet (UV) luminosities and the stellar mass to halo mass ratio estimated from nearby galaxies. If these UV luminosity to halo mass relations hold to high-redshift, observations estimate several orders of magnitude more highly massive halos than predicted by hierarchical merging and the standard cosmological paradigm. Strong constraints on the masses of these galaxy clusters are essential to resolving the current tension between observation and theory. We conclude that detections of thermal SZ sources are plausible at high-redshift only for the halo masses inferred from observation. Therefore, future SZ surveys will provide a robust determination between theoretical and observational predictions.

  5. Screening and degrading characteristics and community structure of a high molecular weight polycyclic aromatic hydrocarbon-degrading bacterial consortium from contaminated soil

    Institute of Scientific and Technical Information of China (English)

    Run Sun; Jinghua Jin; Guangdong Sun; Ying Liu; Zhipei Liu

    2010-01-01

    Inoculation with efficient microbes had been proved to be the most important way for the bioremediation of polluted environments.For the treatment of abandoned site of Beijing Coking Chemical Plant contaminated with high level of high-molecular-weight polycyclic aromatic hydrocarbons (HMW-PAHs),a bacterial consortium capable of degrading HMW-PAHs,designated 1-18-1,was enriched and screened from HMW-PAHs contaminated soil.Its degrading ability was analyzed by high performance liquid chromatography (HPLC),and the community structure was investigated by construction and analyses of the 16S rRNA gene clone libraries (A,B and F) at different transfers.The results indicated that 1-18-1 was able to utilize pyrene,fluoranthene and benzo[a]pyrene as sole carbon and energy source for growth.The degradation rate of pyrene and fluoranthene reached 82.8% and 96.2% after incubation for 8 days at 30℃,respectively;while the degradation rate of benzo[a]pyrene was only 65.1% after incubation for 28 days at 30℃.Totally,108,100 and 100 valid clones were randomly selected and sequenced from the libraries A,B,and E Phylogenetic analyses showed that all the clones could be divided into 5 groups,Bacteroidetes,α-Proteobacteria,Actinobacteria,β-Proteobacteria and γ-Proteobacteria.Sequence similarity analyses showed total 39 operational taxonomic units (OTUs) in the libraries.The predominant bacterial groups were α-Proteobacteria (19 OTUs,48.7%),γ-Proteobacteria (9 OTUs,23.1%) and β-Protcobacteria (8 OTUs,20.5%).During the transfer process,the proportions of α-Proteobacteria and β-Proteobacteria increased greatly (from 47% to 93%),while γ-Proteobacteria decreased from 32% (library A) to 6% (library F);and Bacteroidetes group disappeared in libraries B and F.

  6. Highly Contorted 1,2,5-Thiadiazole-Fused Aromatics for Solution-Processed Field-Effect Transistors: Synthesis and Properties.

    Science.gov (United States)

    Shi, Xin; Liu, Shuli; Liu, Chunming; Hu, Yueming; Shi, Saihua; Fu, Nina; Zhao, Baomin; Wang, Zhaohui; Huang, Wei

    2016-08-01

    A straightforward strategy has been used to construct 1,2,5-thiadiazole-fused 12-ring π systems through twofold Stille coupling and subsequent cyclodehydrogenation by utilizing the building blocks of naphthodithiophene and 5,6-substituted benzo[b]-2,1,3-thiadidazole. Molecules 1 a and 1 b, which exhibit highly contorted π surfaces, show a butterfly-shaped conformation according to DFT calculations. Within the molecules, a plane-to-plane angle of 44.8° was found. UV/Vis absorption, thermogravimetric analysis, differential scanning calorimetry, and cyclic voltammetry (CV) were used to study their physical properties. Strong intermolecular interactions of the nonplanar molecules were also observed by concentration-dependent (1) H NMR spectroscopy measurements and thin-film XRD characterization. The low-lying LUMO and high-lying HOMO levels of the molecules are -3.73 and -5.48 eV, respectively, as estimated from CV measurements; this indicates their potential as semiconducting materials for solution-processed organic field-effect transistors (OFETS). A field-effect hole mobility of up to 0.035 cm(2)  V(-1)  s(-1) , a threshold voltage of 6.98 V, and a current on/off ratio of 8.65×10(5) in air for 1 a have been demonstrated with the top-contact bottom-gate field-effect transistor device structures; this represents an important step toward the solution-processed OFET application of contorted aromatics.

  7. Portable kit for high-throughput analysis of polycyclic aromatic hydrocarbons using surface enhanced Raman scattering after dispersive liquid-liquid microextraction.

    Science.gov (United States)

    Zhang, Min; Zhang, Xiaoli; Qu, Baofeng; Zhan, Jinhua

    2017-12-01

    In this work, a portable kit was developed for convenient high-throughput trace analysis of polycyclic aromatic hydrocarbons (PAHs) using surface enhanced Raman scattering (SERS) after dispersive liquid-liquid microextraction (DLLME) process. This portable kit contains three sealed reagent tubes (labeled as T1, T2 and T3), a self-made well plate, and a portable Raman spectrometer. The reagent tube T1 contains a mixture of disperser solvent and extraction solvent, which involved a 2min sample pretreatment of DLLME process. The quick injection of solvents in tube T1 into the sample containing PAHs formed a cloudy solution immediately, which consists of fine droplets of extraction solvent dispersed entirely into aqueous phase. The enrichment factor was found to be 29.6. T2 and T3 contain methanol and 1-propanethiol-modified silver nanoparticles (PTH-Ag NPs), respectively. The liquid in the tube T3 was used to enhance the Raman signal of analytes on the self-made high-throughput micro reactor. A linear relationship between the concentration of pyrene and the relative Raman peak intensity was obtained (R(2) = 0.993). The detection limit was 0.50μgL(-1) for pyrene. RSD of the high-throughput analysis of 12 samples was calculated as 4.8%. The ability of DLLME-SERS technique in the extraction of PAH isomers from water samples were investigated. The performance of DLLME-SERS in the recovery of pyrene from lake, spring and drinking water was also studied. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. σ-Aromaticity in polyhydride complexes of Ru, Ir, Os, and Pt.

    Science.gov (United States)

    Jimenez-Izal, Elisa; Alexandrova, Anastassia N

    2016-04-28

    Transition-metal hydrides represent a unique class of compounds, which are essential for catalysis, organic synthesis, and hydrogen storage. In this work we study IrH5(PPh3)2, (RuH5(P(i)Pr3)2)(-), (OsH5(P(i)Pr3)2)(-), and OsH4(PPhMe2)3 polyhydride complexes, inspired by the recent discovery of the σ-aromatic PtZnH5(-) cluster anion. The distinctive feature of these molecules is that, like in the PtZnH5(-) cluster, the metal is five-fold coordinated in-plane, and holds additional ligands at the axial positions. This work shows that the unusual coordination in these compounds indeed can be explained by σ-aromaticity in the pentagonal arrangement, stabilized by the atomic orbitals on the metal. Based on this newly elucidated bonding principle, we additionally propose a new family of polyhydrides that display a uniquely high coordination. We also report the first indications of how aromaticity may impact the reactivity of these molecules.

  9. The direct aromatization of methane

    Energy Technology Data Exchange (ETDEWEB)

    Marcelin, G.; Oukaci, R.; Migone, R.A.; Kazi, A.M. [Altamira Instruments, Pittsburgh, PA (United States)

    1995-12-31

    The thermal decomposition of methane shows significant potential as a process for the production of higher unsaturated and aromatic hydrocarbons when the extent of the reaction is limited. Thermodynamic calculations have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that cooling the product and reacting gases as the reaction proceeds can significantly reduce or eliminate the formation of solid carbon and heavier (C{sub 10+}) materials. Much work remains to be done in optimizing the quenching process and this is one of the goals of this program. Means to lower the temperature of the reaction are being studied as this result in a more feasible commercial process due to savings realized in energy and material of construction costs. The use of free-radical generators and catalysts will be investigated as a means of lowering the reaction temperature thus allowing faster quenching. It is highly likely that such studies will lead to a successful direct methane to higher hydrocarbon process.

  10. First Cluster results of the magnetic field structure of the mid- and high-altitude cusps

    Directory of Open Access Journals (Sweden)

    P. J. Cargill

    Full Text Available Magnetic field measurements from the four Cluster spacecraft from the mid- and high-altitude cusp are presented. Cluster underwent two encounters with the mid-altitude cusp during its commissioning phase (24 August 2000. Evidence for field-aligned currents (FACs was seen in the data from all three operating spacecraft from northern and southern cusps. The extent of the FACs was of the order of 1 RE in the X-direction, and at least 300 km in the Y-direction. However, fine-scale field structures with scales of the order of the spacecraft separation (300 km were observed within the FACs. In the northern crossing, two of the spacecraft appeared to lie along the same magnetic field line, and observed very well matched signals. However, the third spacecraft showed evidence for structuring transverse to the field on scales of a few hundred km. A crossing of the high-altitude cusp from 13 February 2001 is presented. It is revealed to be a highly dynamic structure with the boundaries moving with velocities ranging from a few km/s to tens of km/s, and having structure on timescales ranging from less than one minute up to several minutes. The cusp proper is associated with the presence of a very disordered magnetic field, which is entirely different from the magnetosheath turbulence.

    Key words. Magnetospheric physics (current systems; magnetopause, cusp, and boundary layers – Space plasma physics (discontinuities

  11. Submillimeter Imaging of RCS022434-0002.5: Intense Activity in a High-Redshift Cluster?

    CERN Document Server

    Webb, T M A; Ivison, R J; Hoekstra, H; Gladders, M D; Barrientos, L F; Hsieh, B C

    2005-01-01

    We present deep 850micron imaging of the z=0.773 strong lensing galaxy cluster RCSJ022434-0002.5 from the Red-Sequence Cluster Survey (RCS). These data are part of a larger submillimeter survey of RCS clusters, with SCUBA on the JCMT. We find five objects at 850micron, all of which are also detected at either 1.4-GHz, 450micron or both. The number density of objects in this field is in general agreement with the blank-field source counts; however, when combined with other cluster surveys a general tendency of cluster fields towards higher submm number densities is seen, which may be the result of unrecognized submillimeter luminous cluster galaxies. Primarily employing optical photometric redshifts we show that two of the five submillimeter galaxies in this field are consistent with being cluster members, while two are more likely background systems.

  12. Biodegradation Rates of Aromatic Contaminants in Biofilm Reactors

    DEFF Research Database (Denmark)

    Arcangeli, Jean-Pierre; Arvin, Erik

    1995-01-01

    This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols, chlorophe......This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols...

  13. The dominant role of chalcogen bonding in the crystal packing of 2D/3D aromatics.

    Science.gov (United States)

    Fanfrlík, Jindřich; Přáda, Adam; Padělková, Zdeňka; Pecina, Adam; Macháček, Jan; Lepšík, Martin; Holub, Josef; Růžička, Aleš; Hnyk, Drahomír; Hobza, Pavel

    2014-09-15

    The chalcogen bond is a nonclassical σ-hole-based noncovalent interaction with emerging applications in medicinal chemistry and material science. It is found in organic compounds, including 2D aromatics, but has so far never been observed in 3D aromatic inorganic boron hydrides. Thiaboranes, harboring a sulfur heteroatom in the icosahedral cage, are candidates for the formation of chalcogen bonds. The phenyl-substituted thiaborane, synthesized and crystalized in this study, forms sulfur⋅⋅⋅π type chalcogen bonds. Quantum chemical analysis revealed that these interactions are considerably stronger than both in their organic counterparts and in the known halogen bond. The reason is the existence of a highly positive σ-hole on the positively charged sulfur atom. This discovery expands the possibilities of applying substituted boron clusters in crystal engineering and drug design.

  14. Cluster observations of high-frequency waves in the exterior cusp

    Directory of Open Access Journals (Sweden)

    Y. Khotyaintsev

    2004-07-01

    Full Text Available We study wave emissions, in the frequency range from above the lower hybrid frequency up to the plasma frequency, observed during one of the Cluster crossings of a high-beta exterior cusp region on 4 March 2003. Waves are localized near narrow current sheets with a thickness a few times the ion inertial length; currents are strong, of the order of 0.1-0.5μA/m2 (0.1-0.5mA/m2 when mapped to ionosphere. The high frequency part of the waves, frequencies above the electron-cyclotron frequency, is analyzed in more detail. These high frequency waves can be broad-band, can have spectral peaks at the plasma frequency or spectral peaks at frequencies below the plasma frequency. The strongest wave emissions usually have a spectral peak near the plasma frequency. The wave emission intensity and spectral character change on a very short time scale, of the order of 1s. The wave emissions with strong spectral peaks near the plasma frequency are usually seen on the edges of the narrow current sheets. The most probable generation mechanism of high frequency waves are electron beams via bump-on-tail or electron two-stream instability. Buneman and ion-acoustic instability can be excluded as a possible generation mechanism of waves. We suggest that high frequency waves are generated by electron beams propagating along the separatrices of the reconnection region.

  15. Environmental Behaviors and Toxicities of Polycyclic Aromatic Hydrocarbons and Nitropolycyclic Aromatic Hydrocarbons.

    Science.gov (United States)

    Hayakawa, Kazuichi

    2016-01-01

    Airborne particulate matter (PM) has been collected at four cities in Japan starting in the late 1990s, at five or more major cities in China, Korea and Russia starting in 2001 and at the Noto Peninsula starting in 2004. Nine polycyclic aromatic hydrocarbons (PAHs) and eleven nitropolycyclic aromatic hydrocarbons (NPAHs) were determined by HPLC with fluorescence and chemiluminescence detections, respectively. Annual concentrations of PAHs and NPAHs were in the order, China>Russia≫Korea=Japan, with seasonal change (winter>summer). During the observation period, concentrations of PAHs and NPAHs in Japanese cities significantly decreased but the increases in the PAH concentration were observed in Chinese and Russian cities. Concentrations of PAHs and NPAHs were higher in the Northern China than those in the Southern China. At the Noto peninsula, which is in the main path of winter northwest winds and a year-round jet stream that blow from the Asian continent to Japan, the concentrations were high in winter and low in summer every year. A cluster analysis and back trajectory analysis indicated that PAHs and NPAHs were long-range transported from Northeastern China, where coal burning systems such as coal-heating boilers are considered to be the major contributors of PAHs and NPAHs. A dramatic change in atmospheric concentrations of PAHs and NPAHs in East Asia suggests the rapid and large change of PM2.5 pollution in East Asia. Considering the adverse health effects of PM2.5, continuous monitoring of atmospheric PAHs and NPAHs is necessary in this area.

  16. Determination of semi-volatile and particle-associated polycyclic aromatic hydrocarbons in Stockholm air with emphasis on the highly carcinogenic dibenzopyrene isomers

    Science.gov (United States)

    Masala, Silvia; Lim, Hwanmi; Bergvall, Christoffer; Johansson, Christer; Westerholm, Roger

    2016-09-01

    The concentrations of polycyclic aromatic hydrocarbons (PAHs) have been determined in the gaseous phase and in various particulate matter (PM) size fractions at different locations in and outside of Stockholm, Sweden, representative of street level, urban and rural background. The focus has been on the seldom determined but highly carcinogenic dibenzopyrene isomers (DBPs) dibenzo[a,l]pyrene, dibenzo[a,e]pyrene, dibenzo[a,i]pyrene and dibenzo[a,h]pyrene. PAHs with 3 rings were found to be mainly associated with the vapor phase (>90%) whereas PAHs with 5-6 rings were mostly associated with particulate matter (>92%) and the 4-ringed PAHs partitioned between the two phases. PAH abundance was determined to be in the order street level > urban background > rural background with the PM10 street level 2010 mean of benzo[a]pyrene (B[a]P) reaching 0.24 ng/m3, well below the EU annual limit value of 1 ng/m3. In addition, higher PAH concentrations were found in the sub-micron particle fraction (PM1) as compared to the super-micron fraction (PM1-10) with the abundance in PM1 varying between 57 and 86% of the total PAHs. The B[a]P equivalent concentrations derived for DB[a,l]P and total DBPs exceeded 1-2 and 2-4 times, respectively, that of B[a]P at the four sampling sites; therefore underestimation of the cancer risk posed by PAHs in air could be made if the DBPs were not considered in risk assessment using the toxic equivalency approach, whilst the high correlation (p big difference in concentration ratios of B[a]P and the DBPs between the present study and some literature data calls for further research to evaluate the temporal and spatial invariance of the B[a]P/DBP ratios.

  17. High-resolution steady-state and time-resolved luminescence studies on the complexes of Eu(III) with aromatic or aliphatic carboxylic acids.

    Science.gov (United States)

    Marmodée, Bettina; de Klerk, Joost S; Ariese, Freek; Gooijer, Cees; Kumke, Michael U

    2009-10-12

    Eu(III) luminescence spectroscopy, both in the steady-state and the time-resolved mode, is an appropriate technique to study the properties of complexes between heavy metal ions and humic substances (HS), which play a key role in the distribution of metal species in the environment. Unfortunately, room temperature luminescence spectra of Eu(III) complexes with aromatic and aliphatic carboxylic acids - model compounds of HS binding sites - are too broad to fully exploit their potential analytical information content. It is shown that under cryogenic conditions fluorescence-line-narrowing (FLN) is achieved, and the highly resolved spectra provide detailed information on the complexes. Ten model ligands were investigated. Total luminescence spectra (TLS) were recorded, using the (5)D(0)(7)F(1) and (5)D(0)-->(7)F(2) transitions for emission. The energy of the excitation transition depends on the ligand involved and the structure and composition of the complex. For most ligands, discontinuities in the high-resolution TLS indicated that more species, i.e. distinct complex structures, coexisted in the sample. Selective excitation was performed to measure the species-associated luminescence decay times tau. The latter strongly depend on nearby OH oscillators from coordinating water molecules or ligand hydroxyl groups. Furthermore, the asymmetry ratios r, defined as the intensity ratio of the (5)D(0)-->(7)F(2) and (5)D(0)-->(7)F(1) transitions, were calculated and the variation of the excitation energy E(exc) with the splitting of the (7)F(1) triplet (DeltaE) was determined, which yielded the crystal field strength parameter N(nu)(B(2q)), as well as the crystal field parameters B(20) and B(22). An in-depth analysis of the results is presented, providing detailed information on the number of coexisting complexes, their stoichiometry, the number of water molecules in the first coordination sphere and their geometry (symmetry point group).

  18. The Influence of Sandstorms and Long-Range Transport on Polycyclic Aromatic Hydrocarbons (PAHs in PM2.5 in the High-Altitude Atmosphere of Southern China

    Directory of Open Access Journals (Sweden)

    Minmin Yang

    2015-10-01

    Full Text Available PM2.5 (Particulate Matter 2.5 samples were collected at Mount Heng and analyzed for polycyclic aromatic hydrocarbons (PAHs. During sampling, a sandstorm from northern China struck Mount Heng and resulted in a mean PM2.5 concentration of 150.61 μg/m3, which greatly exceeded the concentration measured under normal conditions (no sandstorm: 58.50 μg/m3. The average mass of PAHs in PM2.5 was 30.70 μg/g, which was much lower than in the non-sandstorm samples (80.80 μg/g. Therefore, the sandstorm increased particle levels but decreased PAH concentrations due to dilution and turbulence. During the sandstorm, the concentrations of 4- and 5-ring PAHs were below their detection limits, and 6-ring PAHs were the most abundant. Under normal conditions, the concentrations of 2-, 3- and 6-ring PAHs were higher, and 4- and 5-ring PAHs were lower relative to the other sampling sites. In general, the PAH contamination was low to medium at Mount Heng. Higher LMW (low molecular weight concentrations were primarily linked to meteorological conditions, and higher HMW (high molecular weight concentrations primarily resulted from long-range transport. Analysis of diagnostic ratios indicated that PM2.5 PAHs had been emitted during the combustion of coal, wood or petroleum. The transport characteristics and origins of the PAHs were investigated using backwards Lagrangian particle dispersion modeling. Under normal conditions, the “footprint” retroplumes and potential source contributions of PAHs for the highest and lowest concentrations indicated that local sources had little effect. In contrast, long-range transport played a vital role in the levels of PM2.5 and PAHs in the high-altitude atmosphere.

  19. Clustered ribbed-nanoneedle structured copper surfaces with high-efficiency dropwise condensation heat transfer performance.

    Science.gov (United States)

    Zhu, Jie; Luo, Yuting; Tian, Jian; Li, Juan; Gao, Xuefeng

    2015-05-27

    We report that the dropwise condensation heat transfer (DCHT) effectiveness of copper surfaces can be dramatically enhanced by in situ grown clustered ribbed-nanoneedles. Combined experiments and theoretical analyses reveal that, due to the microscopically rugged and low-adhesive nature of building blocks, the nanosamples can not only realize high-density nucleation but constrain growing condensates into suspended microdrops via the self-transport and/or self-expansion mode for subsequently self-propelled jumping, powered by coalescence-released excess surface energy. Consequently, our nanosample exhibits over 125% enhancement in DCHT coefficient. This work helps develop advanced heat-transfer materials and devices for efficient thermal management and energy utilization.

  20. Infrared High-Resolution Integrated Light Spectral Analyses of M31 Globular Clusters from APOGEE

    CERN Document Server

    Sakari, Charli M; Schiavon, Ricardo P; Bizyaev, Dmitry; Prieto, Carlos Allende; Beers, Timothy C; Caldwell, Nelson; Garcia-Hernandez, Domingo Anibal; Lucatello, Sara; Majewski, Steven; O'Connell, Robert W; Pan, Kaike; Strader, Jay

    2016-01-01

    Chemical abundances are presented for 25 M31 globular clusters (GCs), based on moderately high resolution (R = 22, 500) H-band integrated light spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE). Infrared spectra offer lines from new elements, of different strengths, and at higher excitation potentials compared to the optical. Integrated abundances of C, N, and O are derived from CO, CN, and OH molecular features, while Fe, Na, Mg, Al, Si, K, Ca, and Ti abundances are derived from atomic features. These abundances are compared to previous results from the optical, demonstrating the validity and value of infrared integrated light analyses. The CNO abundances are consistent with typical tip of the red giant branch stellar abundances, but are systematically offset from optical, Lick index abundances. With a few exceptions, the other abundances agree between the optical and the infrared within the 1{\\sigma} uncertainties. The first integrated K abundances are also presented, and demo...

  1. C3 as the dominant carbon cluster in high pressure discharges in graphite hollow cathodes

    Science.gov (United States)

    Janjua, Sohail Ahmad; Ahmad, Mashkoor; Khan, Sabih-ud-Din; Khalid, Rahila; Aleem, Abid; Ahmad, Shoaib

    2007-03-01

    Results are presented that have been obtained while operating the graphite hollow cathode duoplasmatron ion source in dual mode under constant discharge current. This dual mode operation enabled us to obtain the mass and emission spectra simultaneously. In mass spectra C3 is the main feature but C4 and C5 are also prominent, whereas in emission spectra C2 is also there and its presence shows that it is in an excited state rather than in an ionic state. These facts provide evidence that C3 is produced due to the regeneration of a soot forming sequence and leave it in ionic state. C3 is a stable molecule and the only dominant species among the carbon clusters that survives in a regenerative sooting environment at high-pressure discharges.

  2. Equation-of-motion coupled cluster method for the description of the high spin excited states

    Science.gov (United States)

    Musiał, Monika; Lupa, Łukasz; Kucharski, Stanisław A.

    2016-04-01

    The equation-of-motion (EOM) coupled cluster (CC) approach in the version applicable for the excitation energy (EE) calculations has been formulated for high spin components. The EE-EOM-CC scheme based on the restricted Hartree-Fock reference and standard amplitude equations as used in the Davidson diagonalization procedure yields the singlet states. The triplet and higher spin components require separate amplitude equations. In the case of quintets, the relevant equations are much simpler and easier to solve. Out of 26 diagrammatic terms contributing to the R1 and R2 singlet equations in the case of quintets, only R2 operator survives with 5 diagrammatic terms present. In addition all terms engaging three body elements of the similarity transformed Hamiltonian disappear. This indicates a substantial simplification of the theory. The implemented method has been applied to the pilot study of the excited states of the C2 molecule and quintet states of C and Si atoms.

  3. Monobromination of Activated Aromatic Compounds withPolyvinylbenzyltriphenylphosphonium Supported Tribromide

    Institute of Scientific and Technical Information of China (English)

    WU Ming-Hu; YANG Gui-Chun; CHEN Zu-Xing

    2001-01-01

    Chloromethylated crosslinked co-polyvinylbenzene-divinylber-zene (2% DVB) was treated with triphenylphospbhie and then with sodium bromate and hydrobromic acid to afford red col-ored insoluble polyvinylbenzyltriphenylphosphon supportedtribromide.This reagent could be used as a mild and efficient monobrominating reagent for activated aromatic compounds such as phenols,aromatic,aromatic amines and acety-lanilines with good yields and high para-selectivity.

  4. NEWEST PINK BERRY AROMATIC VINE GRAPE VARIETY – RADOST LEONIDOV

    Directory of Open Access Journals (Sweden)

    Zamanidi P. C.

    2014-12-01

    Full Text Available New wine grape flavored pink berry grape variety named “Radost Leonidov” breed at Athens Institute of Viticulture by P.Zamanidi, L.Troshin and P.Radchevskii in 2009 by crossing the new Moskhoragos Greek muscat variety with old European variety Traminer pink. According to morphological and biological characteristics, it can be assigned to Western European eco-geographical group of varieties. Strong growth of shoots (2,1-3,0 m. The extent of maturation of vines is very high (over the entire length, except for the top. Duration of production period from bud burst to harvest - 146-155 days. Productivity is high: 20-25 t / ha. The average weight of clusters is 260. Characterized by high winter hardiness, drought resistance and increased resistance to fungal diseases in comparison with the varieties of Vitis vinifera. Flower is hermaphrodite, fully developed stamens and gynoecium. Bunch is small, conical, sometimes winged, average density. Berry is small, spherical, pinkish in color, with a thick waxy coating. Peel of medium thickness, dense and durable. Pulp and juice with a strong varietal flavor, similar to the aroma of Traminer pink. Sugar content is very high: more than 24%. Cluster of the variety of Radost Leonidov at overripening is drying and stored on the bushes for a long time. The variety is intended for the production of dry white wines of excellent class, as well as highquality sparkling wines, dessert and sweet wines; suitable for the production of high-quality aromatic juices

  5. Highly charged ions from laser-cluster interactions: local-field-enhanced impact ionization and frustrated electron-ion recombination.

    Science.gov (United States)

    Fennel, Thomas; Ramunno, Lora; Brabec, Thomas

    2007-12-07

    Our molecular dynamics analysis of Xe_{147-5083} clusters identifies two mechanisms that contribute to the yet unexplained observation of extremely highly charged ions in intense laser cluster experiments. First, electron impact ionization is enhanced by the local cluster electric field, increasing the highest charge states by up to 40%; a corresponding theoretical method is developed. Second, electron-ion recombination after the laser pulse is frustrated by acceleration electric fields typically used in ion detectors. This increases the highest charge states by up to 90%, as compared to the usual assumption of total recombination of all cluster-bound electrons. Both effects together augment the highest charge states by up to 120%, in reasonable agreement with experiments.

  6. The performance of a new Geant4 Bertini intra-nuclear cascade model in high throughput computing (HTC) cluster architecture

    Energy Technology Data Exchange (ETDEWEB)

    Aatos, Heikkinen; Andi, Hektor; Veikko, Karimaki; Tomas, Linden [Helsinki Univ., Institute of Physics (Finland)

    2003-07-01

    We study the performance of a new Bertini intra-nuclear cascade model implemented in the general detector simulation tool-kit Geant4 with a High Throughput Computing (HTC) cluster architecture. A 60 node Pentium III open-Mosix cluster is used with the Mosix kernel performing automatic process load-balancing across several CPUs. The Mosix cluster consists of several computer classes equipped with Windows NT workstations that automatically boot, daily and become nodes of the Mosix cluster. The models included in our study are a Bertini intra-nuclear cascade model with excitons, consisting of a pre-equilibrium model, a nucleus explosion model, a fission model and an evaporation model. The speed and accuracy obtained for these models is presented. (authors)

  7. The performance of a new Geant4 Bertini intra-nuclear cascade model in high throughput computing (HTC) cluster architecture

    Energy Technology Data Exchange (ETDEWEB)

    Aatos, Heikkinen; Andi, Hektor; Veikko, Karimaki; Tomas, Linden [Helsinki Univ., Institute of Physics (Finland)

    2003-07-01

    We study the performance of a new Bertini intra-nuclear cascade model implemented in the general detector simulation tool-kit Geant4 with a High Throughput Computing (HTC) cluster architecture. A 60 node Pentium III open-Mosix cluster is used with the Mosix kernel performing automatic process load-balancing across several CPUs. The Mosix cluster consists of several computer classes equipped with Windows NT workstations that automatically boot, daily and become nodes of the Mosix cluster. The models included in our study are a Bertini intra-nuclear cascade model with excitons, consisting of a pre-equilibrium model, a nucleus explosion model, a fission model and an evaporation model. The speed and accuracy obtained for these models is presented. (authors)

  8. High-resolution tSZ cartography of clusters of galaxies with NIKA at the IRAM 30-m telescope

    CERN Document Server

    Mayet, F; Adane, A; Ade, P; André, P; Arnaud, M; Bartalucci, I; Beelen, A; Benoît, A; Bideaud, A; Billot, N; Blanquer, G; Boudou, N; Bourrion, O; Calvo, M; Catalano, A; Coiffard, G; Comis, B; Cruciani, A; Désert, F -X; Doyle, S; Goupy, J; Hasnoun, B; Hermelo, I; Kramer, C; Lagache, G; Leclercq, S; Macías-Pérez, J F; Mauskopf, P; Monfardini, A; Pajot, F; Perotto, L; Pointecouteau, E; Ponthieu, N; Pratt, G W; Revéret, V; Ritacco, A; Rodriguez, L; Ruppin, F; Schuster, K; Sievers, A; Triqueneaux, S; Tucker, C; Zylka, R

    2016-01-01

    The thermal Sunyaev-Zeldovich effect (tSZ) is a powerful probe to study clusters of galaxies and is complementary with respect to X-ray, lensing or optical observations. Previous arcmin resolution tSZ observations ({\\it e.g.} SPT, ACT and Planck) only enabled detailed studies of the intra-cluster medium morphology for low redshift clusters ($z < 0.2$). Thus, the development of precision cosmology with clusters requires high angular resolution observations to extend the understanding of galaxy cluster towards high redshift. NIKA2 is a wide-field (6.5 arcmin field of view) dual-band camera, operated at $100 \\ {\\rm mK}$ and containing $\\sim 3300$ KID (Kinetic Inductance Detectors), designed to observe the millimeter sky at 150 and 260 GHz, with an angular resolution of 18 and 12 arcsec respectively. The NIKA2 camera has been installed on the IRAM 30-m telescope (Pico Veleta, Spain) in September 2015. The NIKA2 tSZ observation program will allow us to observe a large sample of clusters (50) at redshift ranging...

  9. Cluster dynamics modeling of the effect of high dose irradiation and helium on the microstructure of austenitic stainless steels

    Science.gov (United States)

    Brimbal, Daniel; Fournier, Lionel; Barbu, Alain

    2016-01-01

    A mean field cluster dynamics model has been developed in order to study the effect of high dose irradiation and helium on the microstructural evolution of metals. In this model, self-interstitial clusters, stacking-fault tetrahedra and helium-vacancy clusters are taken into account, in a configuration well adapted to austenitic stainless steels. For small helium-vacancy cluster sizes, the densities of each small cluster are calculated. However, for large sizes, only the mean number of helium atoms per cluster size is calculated. This aspect allows us to calculate the evolution of the microstructural features up to high irradiation doses in a few minutes. It is shown that the presence of stacking-fault tetrahedra notably reduces cavity sizes below 400 °C, but they have little influence on the microstructure above this temperature. The binding energies of vacancies to cavities are calculated using a new method essentially based on ab initio data. It is shown that helium has little effect on the cavity microstructure at 300 °C. However, at higher temperatures, even small helium production rates such as those typical of sodium-fast-reactors induce a notable increase in cavity density compared to an irradiation without helium.

  10. A high fat diet containing saturated but not unsaturated fatty acids enhances T cell receptor clustering on the nanoscale.

    Science.gov (United States)

    Shaikh, Saame Raza; Boyle, Sarah; Edidin, Michael

    2015-09-01

    Cell culture studies show that the nanoscale lateral organization of surface receptors, their clustering or dispersion, can be altered by changing the lipid composition of the membrane bilayer. However, little is known about similar changes in vivo, which can be effected by changing dietary lipids. We describe the use of a newly developed method, k-space image correlation spectroscopy, kICS, for analysis of quantum dot fluorescence to show that a high fat diet can alter the nanometer-scale clustering of the murine T cell receptor, TCR, on the surface of naive CD4(+) T cells. We found that diets enriched primarily in saturated fatty acids increased TCR nanoscale clustering to a level usually seen only on activated cells. Diets enriched in monounsaturated or n-3 polyunsaturated fatty acids had no effect on TCR clustering. Also none of the high fat diets affected TCR clustering on the micrometer scale. Furthermore, the effect of the diets was similar in young and middle aged mice. Our data establish proof-of-principle that TCR nanoscale clustering is sensitive to the composition of dietary fat.

  11. The Cluster Gas Mass - Temperature Relation Evidence for a High Level of Preheating

    CERN Document Server

    McCarthy, I G; Balogh, M L; Carthy, Ian G. Mc; Babul, Arif; Balogh, Michael L.

    2002-01-01

    Recent X-ray observations have been used to demonstrate that the cluster gas mass - temperature relation is steeper than theoretical self-similar predictions drawn from numerical simulations that consider the evolution of the cluster gas through the effects of gravity and shock heating alone. One possible explanation for this is that the gas mass fraction is not constant across clusters of different temperature, as usually assumed. Observationally, however, there is no compelling evidence for gas mass fraction variation, especially in the case of hot clusters. Seeking an alternative physical explanation for the observed trends, we investigate the role of preheating the intracluster medium by some arbitrary source on the cluster gas mass - temperature relation for clusters with emission-weighted mean temperatures of greater than about 3 keV. Making use of the physically-motivated, analytic model developed by Babul et al. (2002), we find that preheating does, indeed, lead to a steeper relation. This is in agree...

  12. Class separation of lipids and polycyclic aromatic hydrocarbons in normal phase high performance liquid chromatography - a prospect for analysis of aromatics in edible vegetable oils and biodiesel exhaust particulates.

    Science.gov (United States)

    Olsson, Petter; Sadiktsis, Ioannis; Holmbäck, Jan; Westerholm, Roger

    2014-09-19

    The retention characteristics of the major lipid components in biodiesels and edible oils as well as representative polycyclic aromatic compounds (PAHs) have been investigated on five different normal phase HPLC stationary phases, in order to optimize class separation for an automatized online HPLC cleanup of PAHs prior GC-MS analysis. By stepwise comparison of different hexane/MTBE compositions as mobile phases on cyano-, phenyl-, pentabromobenzyl-, nitrophenyl- and amino-modified silica columns, the capacity and selectivity factors for each analyte and column could be calculated. It was concluded that the most suitable column for backflush isolation of PAHs in biodiesel and edible oil matrices was the pentabromobenzyl-modified silica (PBB). A previously described online HPLC-GC-MS system using the PBB column was then evaluated by qualitative and quantitative analysis of a biodiesel exhaust particulate extract and a vegetable oil reference material. The GC-MS full scan analysis of the biodiesel particulate extract showed that the lipids had been removed from the sample and a fraction containing PAHs and oxygenated derivatives thereof had been isolated. Quantified mass fractions of PAHs of the reference material BCR-458 agreed well for most of the certified PAH mass fractions in the spiked coconut oil reference material.

  13. Data Clustering

    Science.gov (United States)

    Wagstaff, Kiri L.

    2012-03-01

    On obtaining a new data set, the researcher is immediately faced with the challenge of obtaining a high-level understanding from the observations. What does a typical item look like? What are the dominant trends? How many distinct groups are included in the data set, and how is each one characterized? Which observable values are common, and which rarely occur? Which items stand out as anomalies or outliers from the rest of the data? This challenge is exacerbated by the steady growth in data set size [11] as new instruments push into new frontiers of parameter space, via improvements in temporal, spatial, and spectral resolution, or by the desire to "fuse" observations from different modalities and instruments into a larger-picture understanding of the same underlying phenomenon. Data clustering algorithms provide a variety of solutions for this task. They can generate summaries, locate outliers, compress data, identify dense or sparse regions of feature space, and build data models. It is useful to note up front that "clusters" in this context refer to groups of items within some descriptive feature space, not (necessarily) to "galaxy clusters" which are dense regions in physical space. The goal of this chapter is to survey a variety of data clustering methods, with an eye toward their applicability to astronomical data analysis. In addition to improving the individual researcher’s understanding of a given data set, clustering has led directly to scientific advances, such as the discovery of new subclasses of stars [14] and gamma-ray bursts (GRBs) [38]. All clustering algorithms seek to identify groups within a data set that reflect some observed, quantifiable structure. Clustering is traditionally an unsupervised approach to data analysis, in the sense that it operates without any direct guidance about which items should be assigned to which clusters. There has been a recent trend in the clustering literature toward supporting semisupervised or constrained

  14. Highly localized clustering states in a granular gas driven by a vibrating wall

    OpenAIRE

    Livne, Eli; Meerson, Baruch; Sasorov, Pavel V.

    2000-01-01

    An ensemble of inelastically colliding grains driven by a vibrating wall in 2D exhibits density clustering. Working in the limit of nearly elastic collisions and employing granular hydrodynamics, we predict, by a marginal stability analysis, a spontaneous symmetry breaking of the extended clustering state (ECS). 2D steady-state solutions found numerically describe localized clustering state (LCSs). Time-dependent granular hydrodynamic simulations show that LCSs can develop from natural initia...

  15. Sources appointment and ecological risk assessment of polycyclic aromatic hydrocarbons (PAHs) in sediments of Erhai Lake, a low-latitude and high-altitude lake in southwest China.

    Science.gov (United States)

    Hezhong, Yuan; Enlou, Zhang; Qi, Lin; Rong, Wang; Enfeng, Liu

    2016-03-01

    Sixteen polycyclic aromatic hydrocarbons (PAHs) were analyzed from the surficial sediments in Erhai Lake, a plateau lake in China. The results showed that except for acenaphthylene (Ace) Ace and Dibenz(a,h)anthracene (DBA), the central region contained individual PAHs at concentrations lower than those in other lake regions. Total concentration of the PAHs (ΣPAHs) in the sediments from Erhai Lake ranged from 32.42 to 558.53 mg/kg with a mean value of 256.70 mg/kg. The maximum value of ΣPAHs was observed in the north region of the lake and more than 10-fold higher than the minimum values. Moreover, high molecular weight (HMW) PAHs, especially 5-ring PAHs, accounted for higher ratios up to 76 % relative to other PAHs compound in almost all sampling sites. Molecular diagnostic ratios including anthtacene (Ant)/(Ant + phenanthrene (Phe)), fluoranthene (Flt)/(Flt + pyrene (Pyr)), benz(a)anthracene (BaA)/(BaA + chrysene (Chr)), and indeno(1,2,3-cd)pyrene (IPY)/(IPY + benz(g,h,i)perylene (BPE)) were recorded at all sampling sites and indicated that the origin of PAHs in Erhai Lake was predominately pyrolytic. Furthermore, principal component analysis with component dominating by HMW PAHs showed that combustion origins were the primary contamination sources of PAHs in the sediments of Erhai Lake. Finally, ecological risk assessment indicated that the sediments from Erhai Lake are exposed to potential low risk for ΣPAHs, and the ecological risk decreases in the order of northern region > southern region > central region.

  16. Cluster-state quantum computing enhanced by high-fidelity generalized measurements.

    Science.gov (United States)

    Biggerstaff, D N; Kaltenbaek, R; Hamel, D R; Weihs, G; Rudolph, T; Resch, K J

    2009-12-11

    We introduce and implement a technique to extend the quantum computational power of cluster states by replacing some projective measurements with generalized quantum measurements (POVMs). As an experimental demonstration we fully realize an arbitrary three-qubit cluster computation by implementing a tunable linear-optical POVM, as well as fast active feedforward, on a two-qubit photonic cluster state. Over 206 different computations, the average output fidelity is 0.9832+/-0.0002; furthermore the error contribution from our POVM device and feedforward is only of O(10(-3)), less than some recent thresholds for fault-tolerant cluster computing.

  17. Using young massive star clusters to understand star formation and feedback in high-redshift-like environments

    CERN Document Server

    Longmore, Steven; Battersby, Cara; Bally, John; Kruijssen, J M Diederik; Dale, James; Henshaw, Jonathan; Walker, Daniel; Rathborne, Jill; Testi, Leonardo; Ott, Juergen; Ginsburg, Adam

    2016-01-01

    The formation environment of stars in massive stellar clusters is similar to the environment of stars forming in galaxies at a redshift of 1 - 3, at the peak star formation rate density of the Universe. As massive clusters are still forming at the present day at a fraction of the distance to high-redshift galaxies they offer an opportunity to understand the processes controlling star formation and feedback in conditions similar to those in which most stars in the Universe formed. Here we describe a system of massive clusters and their progenitor gas clouds in the centre of the Milky Way, and outline how detailed observations of this system may be able to: (i) help answer some of the fundamental open questions in star formation and (ii) quantify how stellar feedback couples to the surrounding interstellar medium in this high-pressure, high-redshift analogue environment.

  18. Aroma characterization based on aromatic series analysis in table grapes.

    Science.gov (United States)

    Wu, Yusen; Duan, Shuyan; Zhao, Liping; Gao, Zhen; Luo, Meng; Song, Shiren; Xu, Wenping; Zhang, Caixi; Ma, Chao; Wang, Shiping

    2016-08-04

    Aroma is an important part of quality in table grape, but the key aroma compounds and the aroma series of table grapes remains unknown. In this paper, we identified 67 aroma compounds in 20 table grape cultivars; 20 in pulp and 23 in skin were active compounds. C6 compounds were the basic background volatiles, but the aroma contents of pulp juice and skin depended mainly on the levels of esters and terpenes, respectively. Most obviously, 'Kyoho' grapevine series showed high contents of esters in pulp, while Muscat/floral cultivars showed abundant monoterpenes in skin. For the aroma series, table grapes were characterized mainly by herbaceous, floral, balsamic, sweet and fruity series. The simple and visualizable aroma profiles were established using aroma fingerprints based on the aromatic series. Hierarchical cluster analysis (HCA) and principal component analysis (PCA) showed that the aroma profiles of pulp juice, skin and whole berries could be classified into 5, 3, and 5 groups, respectively. Combined with sensory evaluation, we could conclude that fatty and balsamic series were the preferred aromatic series, and the contents of their contributors (β-ionone and octanal) may be useful as indicators for the improvement of breeding and cultivation measures for table grapes.

  19. A Highly Parallel FPGA Implementation of a 2D-Clustering Algorithm for the ATLAS Fast TracKer (FTK) Processor

    CERN Document Server

    Kimura, N; The ATLAS collaboration; Beretta, M; Gatta, M; Gkaitatzis, S; Iizawa, T; Kordas, K; Korikawa, T; Nikolaidis, N; Petridou, P; Sotiropoulou, C-L; Yorita, K; Volpi, G

    2014-01-01

    The highly parallel 2D-clustering FPGA implementation used for the input system of the ATLAS Fast TracKer (FTK) processor is presented. The input system for the FTK processor will receive data from the Pixel and micro-strip detectors read out drivers (RODs) at 760Gbps, the full rate of level 1 triggers. Clustering serves two purposes. The first is to reduce the high rate of the received data before further processing. The second is to determine the cluster centroid to obtain the best spatial measurement. For the pixel detectors the clustering is implemented by using a 2D-clustering algorithm that takes advantage of a moving window technique to minimize the logic required for cluster identification. The implementation is fully generic, therefore the detection window size can be optimized for the cluster identification process. Additionally, the implementation can be parallelized by instantiating multiple cores to identify different clusters independently thus exploiting more FPGA resources. This flexibility ma...

  20. High indium non-polar InGaN clusters with infrared sensitivity grown by PAMBE

    Directory of Open Access Journals (Sweden)

    Shruti Mukundan

    2015-03-01

    Full Text Available Studies on the optical properties of InGaN alloy of relatively higher indium content are of potential interest to understand the effect of indium content on the optical band gap of epitaxial InGaN. We report the growth of self assembled non-polar high indium clusters of In0.55Ga0.45N over non-polar (11-20 a-plane In0.17Ga0.83N epilayer grown on a-plane (11-20GaN/(1-102 r-plane sapphire substrate using plasma assisted molecular beam epitaxy (PAMBE. Such structures are potential candidates for high brightness LEDs emitting in longer wavelengths. The high resolution X-ray diffraction studies revealed the formation of two distinct compositions of InxGa1−xN alloys, which were further confirmed by photoluminescence studies. A possible mechanism for the formation of such structure was postulated which was supported with the results obtained by energy dispersive X-ray analysis. The structure hence grown when investigated for photo-detecting properties, showed sensitivity to both infrared and ultraviolet radiations due to the different composition of InGaN region.

  1. High indium non-polar InGaN clusters with infrared sensitivity grown by PAMBE

    Energy Technology Data Exchange (ETDEWEB)

    Mukundan, Shruti; Mohan, Lokesh; Chandan, Greeshma; Krupanidhi, S. B., E-mail: sbk@mrc.iisc.ernet.in; Shinde, Satish; Nanda, K. K. [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India); Roul, Basanta [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India); Central Research Laboratory, Bharat Electronics, Bangalore 560013 (India); Maiti, R.; Ray, S. K. [Department of Physics, Indian Institute of Technology, Kharagpur (India)

    2015-03-15

    Studies on the optical properties of InGaN alloy of relatively higher indium content are of potential interest to understand the effect of indium content on the optical band gap of epitaxial InGaN. We report the growth of self assembled non-polar high indium clusters of In{sub 0.55}Ga{sub 0.45}N over non-polar (11-20) a-plane In{sub 0.17}Ga{sub 0.83}N epilayer grown on a-plane (11-20)GaN/(1-102) r-plane sapphire substrate using plasma assisted molecular beam epitaxy (PAMBE). Such structures are potential candidates for high brightness LEDs emitting in longer wavelengths. The high resolution X-ray diffraction studies revealed the formation of two distinct compositions of In{sub x}Ga{sub 1−x}N alloys, which were further confirmed by photoluminescence studies. A possible mechanism for the formation of such structure was postulated which was supported with the results obtained by energy dispersive X-ray analysis. The structure hence grown when investigated for photo-detecting properties, showed sensitivity to both infrared and ultraviolet radiations due to the different composition of InGaN region.

  2. Cluster analysis of bone microarchitecture from high resolution peripheral quantitative computed tomography demonstrates two separate phenotypes associated with high fracture risk in men and women.

    Science.gov (United States)

    Edwards, M H; Robinson, D E; Ward, K A; Javaid, M K; Walker-Bone, K; Cooper, C; Dennison, E M

    2016-07-01

    Osteoporosis is a major healthcare problem which is conventionally assessed by dual energy X-ray absorptiometry (DXA). New technologies such as high resolution peripheral quantitative computed tomography (HRpQCT) also predict fracture risk. HRpQCT measures a number of bone characteristics that may inform specific patterns of bone deficits. We used cluster analysis to define different bone phenotypes and their relationships to fracture prevalence and areal bone mineral density (BMD). 177 men and 159 women, in whom fracture history was determined by self-report and vertebral fracture assessment, underwent HRpQCT of the distal radius and femoral neck DXA. Five clusters were derived with two clusters associated with elevated fracture risk. "Cluster 1" contained 26 women (50.0% fractured) and 30 men (50.0% fractured) with a lower mean cortical thickness and cortical volumetric BMD, and in men only, a mean total and trabecular area more than the sex-specific cohort mean. "Cluster 2" contained 20 women (50.0% fractured) and 14 men (35.7% fractured) with a lower mean trabecular density and trabecular number than the sex-specific cohort mean. Logistic regression showed fracture rates in these clusters to be significantly higher than the lowest fracture risk cluster [5] (pcluster 5 in women in cluster 1 and 2 (pcluster 2 (pclusters in both men and women which may differ in etiology and response to treatment. As cluster 1 in men does not have low areal BMD, these men may not be identified as high risk by conventional DXA alone. Copyright © 2016. Published by Elsevier Inc.

  3. The major resistance gene cluster in lettuce is highly duplicated and spans several megabases.

    Science.gov (United States)

    Meyers, B C; Chin, D B; Shen, K A; Sivaramakrishnan, S; Lavelle, D O; Zhang, Z; Michelmore, R W

    1998-11-01

    At least 10 Dm genes conferring resistance to the oomycete downy mildew fungus Bremia lactucae map to the major resistance cluster in lettuce. We investigated the structure of this cluster in the lettuce cultivar Diana, which contains Dm3. A deletion breakpoint map of the chromosomal region flanking Dm3 was saturated with a variety of molecular markers. Several of these markers are components of a family of resistance gene candidates (RGC2) that encode a nucleotide binding site and a leucine-rich repeat region. These motifs are characteristic of plant disease resistance genes. Bacterial artificial chromosome clones were identified by using duplicated restriction fragment length polymorphism markers from the region, including the nucleotide binding site-encoding region of RGC2. Twenty-two distinct members of the RGC2 family were characterized from the bacterial artificial chromosomes; at least two additional family members exist. The RGC2 family is highly divergent; the nucleotide identity was as low as 53% between the most distantly related copies. These RGC2 genes span at least 3.5 Mb. Eighteen members were mapped on the deletion breakpoint map. A comparison between the phylogenetic and physical relationships of these sequences demonstrated that closely related copies are physically separated from one another and indicated that complex rearrangements have shaped this region. Analysis of low-copy genomic sequences detected no genes, including RGC2, in the Dm3 region, other than sequences related to retrotransposons and transposable elements. The related but divergent family of RGC2 genes may act as a resource for the generation of new resistance phenotypes through infrequent recombination or unequal crossing over.

  4. High-Performance, Multi-Node File Copies and Checksums for Clustered File Systems

    Science.gov (United States)

    Kolano, Paul Z.; Ciotti, Robert B.

    2012-01-01

    Modern parallel file systems achieve high performance using a variety of techniques, such as striping files across multiple disks to increase aggregate I/O bandwidth and spreading disks across multiple servers to increase aggregate interconnect bandwidth. To achieve peak performance from such systems, it is typically necessary to utilize multiple concurrent readers/writers from multiple systems to overcome various singlesystem limitations, such as number of processors and network bandwidth. The standard cp and md5sum tools of GNU coreutils found on every modern Unix/Linux system, however, utilize a single execution thread on a single CPU core of a single system, and hence cannot take full advantage of the increased performance of clustered file systems. Mcp and msum are drop-in replacements for the standard cp and md5sum programs that utilize multiple types of parallelism and other optimizations to achieve maximum copy and checksum performance on clustered file systems. Multi-threading is used to ensure that nodes are kept as busy as possible. Read/write parallelism allows individual operations of a single copy to be overlapped using asynchronous I/O. Multinode cooperation allows different nodes to take part in the same copy/checksum. Split-file processing allows multiple threads to operate concurrently on the same file. Finally, hash trees allow inherently serial checksums to be performed in parallel. Mcp and msum provide significant performance improvements over standard cp and md5sum using multiple types of parallelism and other optimizations. The total speed-ups from all improvements are significant. Mcp improves cp performance over 27x, msum improves md5sum performance almost 19x, and the combination of mcp and msum improves verified copies via cp and md5sum by almost 22x. These improvements come in the form of drop-in replacements for cp and md5sum, so are easily used and are available for download as open source software at http://mutil.sourceforge.net.

  5. Final Report of the Evaluation of the 1969-1970 Benjamin Franklin Cluster Program: Programs and Patterns for Disadvantaged High School Students. ESEA Title I.

    Science.gov (United States)

    Hoffman, Louis J.

    The Cluster Program at Benjamin Franklin High School, funded under Title I of the 1965 Elementary Secondary Education Act, is designed to be a school within a school in which 249 ninth grade students attend classes in two separate clusters. Each cluster is formulated such that all students receive instruction from five teachers in classes whose…

  6. Pressure distribution of the high-redshift cluster of galaxies CL J1226.9+3332 with NIKA

    CERN Document Server

    Adam, R; Macías-Pérez, J -F; Adane, A; Ade, P; André, P; Beelen, A; Belier, B; Benoît, A; Bideaud, A; Billot, N; Blanquer, G; Bourrion, O; Calvo, M; Catalano, A; Coiffard, G; D'Addabbo, A; Désert, F -X; Doyle, S; Goupy, J; Kramer, C; Leclercq, S; Martino, J; Mauskopf, P; Mayet, F; Monfardini, A; Pajot, F; Pascale, E; Perotto, L; Pointecouteau, E; Ponthieu, N; Revéret, V; Ritacco, A; Rodriguez, L; Savini, G; Schuster, K; Sievers, A; Tucker, C; Zylka, R

    2014-01-01

    The thermal Sunyaev-Zel'Dovich (tSZ) effect is expected to provide a low scatter mass proxy for galaxy clusters since it is directly proportional to the cluster thermal energy. tSZ observations have proven to be a powerful tool to detect and study them but high angular resolution observations are now necessary to push their investigation at higher redshift. In this paper, we report high angular (< 20 arcsec) resolution tSZ observations of the high-redshift cluster CLJ1226.9+3332 (z=0.89). It was imaged at 150 and 260 GHz using the NIKA camera at the IRAM 30-meter telescope. The 150 GHz map shows that CLJ1226.9+3332 is morphologically relaxed on large scales with evidence of a disturbed core, while the 260 GHz channel is used mostly to identify point source contamination. NIKA data are combined with those of Planck and X-ray from Chandra to infer the cluster radial pressure, density, temperature and entropy distributions. The total mass profile of the cluster is derived, and we find $M_{500} = 5.96^{+1.02}_...

  7. High Metallicity of the X-Ray Gas up to the Virial Radius of a Binary Cluster of Galaxies: Evidence of Galactic Superwinds at High-Redshift

    CERN Document Server

    Fujita, Yutaka; Hayashida, Kiyoshi; Takizawa, Motokazu; Matsumoto, Hironori; Okabe, Nobuhiro; Reiprich, Thomas H

    2007-01-01

    We present the analysis of a Suzaku observation of the link region between the galaxy clusters A399 and A401. We obtain the metallicity of the intracluster medium (ICM) up to the cluster virial radii for the first time. We determine the metallicity where the viral radii of the two clusters cross each other (~2 Mpc away from their centers) and find that it is comparable to that in their inner regions (~0.2 Z_sun). It is unlikely that the uniformity of metallicity up to the virial radii is due to mixing caused by a cluster collision. Since ram-pressure is too small to strip interstellar medium of galaxies around the virial radius of a cluster, the fairly high metallicity we found there indicates that the metals in the ICM are not transported from member galaxies by ram-pressure stripping. Instead, the uniformity suggests that the proto-cluster region was extensively polluted with metals by extremely powerful outflows (superwinds) from galaxies before the clusters formed. We also search for the oxygen emission f...

  8. Partitional clustering algorithms

    CERN Document Server

    2015-01-01

    This book summarizes the state-of-the-art in partitional clustering. Clustering, the unsupervised classification of patterns into groups, is one of the most important tasks in exploratory data analysis. Primary goals of clustering include gaining insight into, classifying, and compressing data. Clustering has a long and rich history that spans a variety of scientific disciplines including anthropology, biology, medicine, psychology, statistics, mathematics, engineering, and computer science. As a result, numerous clustering algorithms have been proposed since the early 1950s. Among these algorithms, partitional (nonhierarchical) ones have found many applications, especially in engineering and computer science. This book provides coverage of consensus clustering, constrained clustering, large scale and/or high dimensional clustering, cluster validity, cluster visualization, and applications of clustering. Examines clustering as it applies to large and/or high-dimensional data sets commonly encountered in reali...

  9. Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Salama, Farid

    2010-01-01

    Carbonaceous materials play an important role in space. Polycyclic Aromatic Hydrocarbons (PAHs) are a ubiquitous component of the carbonaceous materials. PAHs are the best-known candidates to account for the IR emission bands. They are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge is to reproduce in the laboratory the physical conditions that exist in the emission and absorption interstellar zones. The harsh physical conditions of the ISM -low temperature, collisionless, strong UV radiation fields- are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions and radicals are formed from the neutral precursors in an isolated environment at low temperature and probed with high-sensitivity cavity ringdown spectroscopy in the NUV-NIR range. Carbon nanoparticles are also formed during the short residence time of the precursors in the plasma and are characterized with time-offlight mass spectrometry. These experiments provide unique information on the spectra of large carbonaceous molecules and ions in the gas phase that can now be directly compared to interstellar and circumstellar observations (IR emission bands, DIBs, extinction curve). These findings also hold great potential for understanding the formation process of interstellar carbonaceous grains. We will review recent progress in the experimental and theoretical studies of PAHs, compare the laboratory data with astronomical observations and discuss the global implications.

  10. Semi-Supervised Clustering for High-Dimensional and Sparse Features

    Science.gov (United States)

    Yan, Su

    2010-01-01

    Clustering is one of the most common data mining tasks, used frequently for data organization and analysis in various application domains. Traditional machine learning approaches to clustering are fully automated and unsupervised where class labels are unknown a priori. In real application domains, however, some "weak" form of side…

  11. A Massive, Cooling-Flow-Induced Starburst in the Core of a Highly Luminous Galaxy Cluster

    CERN Document Server

    McDonald, M; Benson, B A; Foley, R J; Ruel, J; Sullivan, P; Veilleux, S; Aird, K A; Ashby, M L N; Bautz, M; Bazin, G; Bleem, L E; Brodwin, M; Carlstrom, J E; Chang, C L; Cho, H M; Clocchiatti, A; Crawford, T M; Crites, A T; de Haan, T; Desai, S; Dobbs, M A; Dudley, J P; Egami, E; Forman, W R; Garmire, G P; George, E M; Gladders, M D; Gonzalez, A H; Halverson, N W; Harrington, N L; High, F W; Holder, G P; Holzapfel, W L; Hoover, S; Hrubes, J D; Jones, C; Joy, M; Keisler, R; Knox, L; Lee, A T; Leitch, E M; Lieu, J; Lueker, M; Luong-Van, D; Mantz, A; Marrone, D P; McMahon, J J; Mehl, J; Meyer, S S; Miller, E D; Mocanu, L; Mohr, J J; Montroy, T E; Murray, S S; Natoli, T; Padin, S; Plagge, T; Pryke, C; Rawle, T D; Reichardt, C L; Rest, A; Rex, M; Ruhl, J E; Saliwanchik, B R; Saro, A; Sayre, J T; Schaffer, K K; Shaw, L; Shirokoff, E; Simcoe, R; Song, J; Spieler, H G; Stalder, B; Staniszewski, Z; Stark, A A; Story, K; Stubbs, C W; Suhada, R; van Engelen, A; Vanderlinde, K; Vieira, J D; Vikhlinin, A; Williamson, R; Zahn, O; Zenteno, A

    2012-01-01

    In the cores of some galaxy clusters the hot intracluster plasma is dense enough that it should cool radiatively in the cluster's lifetime, leading to continuous "cooling flows" of gas sinking towards the cluster center, yet no such cooling flow has been observed. The low observed star formation rates and cool gas masses for these "cool core" clusters suggest that much of the cooling must be offset by astrophysical feedback to prevent the formation of a runaway cooling flow. Here we report X-ray, optical, and infrared observations of the galaxy cluster SPT-CLJ2344-4243 at z = 0.596. These observations reveal an exceptionally luminous (L_2-10 keV = 8.2 x 10^45 erg/s) galaxy cluster which hosts an extremely strong cooling flow (dM/dt = 3820 +/- 530 Msun/yr). Further, the central galaxy in this cluster appears to be experiencing a massive starburst (740 +/- 160 Msun/yr), which suggests that the feedback source responsible for preventing runaway cooling in nearby cool core clusters may not yet be fully establishe...

  12. AromaDeg, a novel database for phylogenomics of aerobic bacterial degradation of aromatics.

    Science.gov (United States)

    Duarte, Márcia; Jauregui, Ruy; Vilchez-Vargas, Ramiro; Junca, Howard; Pieper, Dietmar H

    2014-01-01

    Understanding prokaryotic transformation of recalcitrant pollutants and the in-situ metabolic nets require the integration of massive amounts of biological data. Decades of biochemical studies together with novel next-generation sequencing data have exponentially increased information on aerobic aromatic degradation pathways. However, the majority of protein sequences in public databases have not been experimentally characterized and homology-based methods are still the most routinely used approach to assign protein function, allowing the propagation of misannotations. AromaDeg is a web-based resource targeting aerobic degradation of aromatics that comprises recently updated (September 2013) and manually curated databases constructed based on a phylogenomic approach. Grounded in phylogenetic analyses of protein sequences of key catabolic protein families and of proteins of documented function, AromaDeg allows query and data mining of novel genomic, metagenomic or metatranscriptomic data sets. Essentially, each query sequence that match a given protein family of AromaDeg is associated to a specific cluster of a given phylogenetic tree and further function annotation and/or substrate specificity may be inferred from the neighboring cluster members with experimentally validated function. This allows a detailed characterization of individual protein superfamilies as well as high-throughput functional classifications. Thus, AromaDeg addresses the deficiencies of homology-based protein function prediction, combining phylogenetic tree construction and integration of experimental data to obtain more accurate annotations of new biological data related to aerobic aromatic biodegradation pathways. We pursue in future the expansion of AromaDeg to other enzyme families involved in aromatic degradation and its regular update. Database URL: http://aromadeg.siona.helmholtz-hzi.de

  13. The Accelerated Build-up of the Red Sequence in High Redshift Galaxy Clusters

    CERN Document Server

    Cerulo, P; Lidman, C; Demarco, R; Huertas-Company, M; Mei, S; Sánchez-Janssen, R; Barrientos, L F; Muñoz, R P

    2016-01-01

    We analyse the evolution of the red sequence in a sample of galaxy clusters at redshifts $0.8 11.5$) red sequence galaxies in the WINGS clusters, which do not include only the brightest cluster galaxies and which are not present in the HCS clusters, suggesting that they formed at epochs later than $z=0.8$. The comparison with the luminosity distribution of a sample of passive red sequence galaxies drawn from the COSMOS/UltraVISTA field in the photometric redshift range $0.8clusters is more developed at the faint end, suggesting that halo mass plays an important role in setting the time-scales for the build-up of the red sequence.

  14. Properties of the Open Cluster Tombaugh 1 from High-resolution Spectroscopy and uvbyCaHβ Photometry

    Science.gov (United States)

    Sales Silva, João V.; Carraro, Giovanni; Anthony-Twarog, Barbara J.; Moni Bidin, Christian; Costa, Edgardo; Twarog, Bruce A.

    2016-01-01

    Open clusters can be the key to deepening our knowledge on various issues involving the structure and evolution of the Galactic disk and details of stellar evolution because a cluster’s properties are applicable to all its members. However, the number of open clusters with detailed analysis from high-resolution spectroscopy or precision photometry imposes severe limitations on studies of these objects. To expand the number of open clusters with well-defined chemical abundances and fundamental parameters, we investigate the poorly studied, anticenter open cluster Tombaugh 1. Using precision uvbyCaHβ photometry and high-resolution spectroscopy, we derive the cluster’s reddening, obtain photometric metallicity estimates, and, for the first time, present a detailed abundance analysis of 10 potential cluster stars (nine clump stars and one Cepheid). Using the radial position from the cluster center and multiple color indices, we have isolated a sample of unevolved, probable single-star members of Tombaugh 1. From 51 stars, the cluster reddening is found to be E(b-y) = 0.221 ± 0.006 or E(B-V) = 0.303 ± 0.008, where the errors refer to the internal standard errors of the mean. The weighted photometric metallicity from m1 and hk is [Fe/H] = -0.10 ± 0.02, while a match to the Victoria-Regina Strömgren isochrones leads to an age of 0.95 ± 0.10 Gyr and an apparent modulus of (m-M) = 13.10 ± 0.10. Radial velocities identify six giants as probable cluster members, and the elemental abundances of Fe, Na, Mg, Al, Si, Ca, Ti, Cr, Ni, Y, Ba, Ce, and Nd have been derived for both the cluster and the field stars. Tombaugh 1 appears to be a typical inner thin disk, intermediate-age open cluster of slightly subsolar metallicity, located just beyond the solar circle, with solar elemental abundance ratios except for the heavy s-process elements, which are a factor of two above solar. Its metallicity is consistent with a steep metallicity gradient in the galactocentric region

  15. Origin of the turbulent spectra in the high-altitude cusp: Cluster spacecraft observations

    Directory of Open Access Journals (Sweden)

    K. Nykyri

    2006-05-01

    Full Text Available High-resolution magnetic field data from Cluster Flux Gate Magnetometer (FGM and the Spatio-Temporal Analysis of Field Fluctuations (STAFF instruments are used to study turbulent magnetic field fluctuations during the high-altitude cusp crossing on 17 March 2001. Despite the quiet solar wind conditions, the cusp was filled with magnetic field turbulence whose power correlates with the field-aligned ion plasma flux. The magnetic field wave spectra shows power law behavior with both double and single slopes with break in the spectra usually occurring in the vicinity of the local ion cyclotron frequency. Strong peaks in the wave power close to local ion cyclotron frequency were sometimes observed, with secondary peaks at higher harmonics indicative of resonant processes between protons and the waves. We show that the observed spectral break point may be caused partly by damping of obliquely propagating kinetic Alfvén (KAW waves and partly by cyclotron damping of ion cyclotron waves.

  16. Cluster observations of magnetic field fluctuations in the high-altitude cusp

    Directory of Open Access Journals (Sweden)

    K. Nykyri

    2004-07-01

    Full Text Available High-resolution (22 vector/s magnetic field data from Cluster FGM instrument are presented for the high-altitude cusp crossing on 17 March 2001. Despite the quiet solar wind conditions, the cusp was filled with magnetic field turbulence for much of the crossing. Large-scale fluctuations show some correlation between spacecraft but the higher frequency fluctuations show no correlation, indicating that the length scales of these waves are smaller than the spacecraft separation (500km. In many intervals, there are clear peaks in the wave power around the ion cyclotron frequency (~1Hz, and there is some evidence for waves at the first harmonic of this frequency. Both left- and right-hand polarised waves are found, with angles of propagation with respect to the ambient magnetic field that range from parallel to perpendicular. The regions of enhanced magnetic field fluctuations appear to be associated with plasma flows possibly originating from a lobe reconnection site. The most coherent, long lasting wave trains with frequencies close to local ion cyclotron frequency occur at a boundary between a sheared flow and a stagnant plasma.

  17. Ion-pair dissociation of highly excited carbon clusters: Size and charge effects

    Science.gov (United States)

    Launoy, Thibaut; Béroff, Karine; Chabot, Marin; Martinet, Guillaume; Le Padellec, Arnaud; Pino, Thomas; Bouneau, Sandra; Vaeck, Nathalie; Liévin, Jacques; Féraud, Géraldine; Loreau, Jérôme; Mahajan, Thejus

    2017-02-01

    We present measurements of ion-pair dissociation (IPD) of highly excited neutral and ionized carbon clusters Cn=2 -5 (q =0 -3 )+. The tool for producing these species was a high-velocity collision between Cn+ projectiles (v =2.25 a.u.) and helium atoms. The setup allowed us to detect in coincidence anionic and cationic fragments, event by event, leading to a direct and unambiguous identification of the IPD process. Compared with dissociation without anion emission, we found typical 10-4 IPD rates, not depending much on the size and charge of the (n ,q ) species. Exceptions were observed for C2+ and, to a lesser extent, C43 + whose IPDs were notably lower. We tentatively interpret IPDs of C2+ and C3+ by using a statistical approach based on the counting of final states allowed by energetic criteria. The model is able to furnish the right order of magnitude for the experimental IPD rates and to provide a qualitative explanation of the lower IPD rate observed in C2+.

  18. Image Segmentation By Cluster Analysis Of High Resolution Textured SPOT Images

    Science.gov (United States)

    Slimani, M.; Roux, C.; Hillion, A.

    1986-04-01

    Textural analysis is now a commonly used technique in digital image processing. In this paper, we present an application of textural analysis to high resolution SPOT satellite images. The purpose of the methodology is to improve classification results, i.e. image segmentation in remote sensing. Remote sensing techniques, based on high resolution satellite data offer good perspectives for the cartography of littoral environment. Textural information contained in the pan-chromatic channel of ten meters resolution is introduced in order to separate different types of structures. The technique we used is based on statistical pattern recognition models and operates in two steps. A first step, features extraction, is derived by using a stepwise algorithm. Segmentation is then performed by cluster analysis using these extracted. features. The texture features are computed over the immediate neighborhood of the pixel using two methods : the cooccurence matrices method and the grey level difference statistics method. Image segmentation based only on texture features is then performed by pixel classification and finally discussed. In a future paper, we intend to compare the results with aerial data in view of the management of the littoral resources.

  19. Head-Tail Galaxies: Beacons of High-Density Regions in Clusters

    CERN Document Server

    Mao, Minnie Y; Stevens, Jamie B; Wotherspoon, Simon J

    2008-01-01

    Using radio data at 1.4 GHz from the ATCA we identify five head-tail (HT) galaxies in the central region of the Horologium-Reticulum Supercluster (HRS). Physical parameters of the HT galaxies were determined along with substructure in the HRS to probe the relationship between environment and radio properties. Using a density enhancement technique applied to 582 spectroscopic measurements in the 2 degree x 2 degree region about A3125/A3128, we find all five HT galaxies reside in regions of extremely high density (>100 galaxies/Mpc^3). In fact, the environments surrounding HT galaxies are statistically denser than those environments surrounding non-HT galaxies and among the densest environments in a cluster. Additionally, the HT galaxies are found in regions of enhanced X-ray emission and we show that the enhanced density continues out to substructure groups of 10 members. We propose that it is the high densities that allow ram pressure to bend the HT galaxies as opposed to previously proposed mechanisms relyin...

  20. Investigation of air-assisted sprays submitted to high frequency transverse acoustic fields: Droplet clustering

    Science.gov (United States)

    Ficuciello, A.; Blaisot, J. B.; Richard, C.; Baillot, F.

    2017-06-01

    An experimental investigation of the effects of a high amplitude transverse acoustic field on coaxial jets is presented in this paper. Water and air are used as working fluids at ambient pressure. The coaxial injectors are placed on the top of a semi-open resonant cavity where the acoustic pressure fluctuations of the standing wave can reach a maximum peak-to-peak amplitude of 12 kPa at the forcing frequency of 1 kHz. Several test conditions are considered in order to quantify the influence of injection conditions, acoustic field amplitude, and injector position with respect to the standing wave acoustic field. A high speed back-light visualization technique is used to characterize the jet response. Image processing is used to obtain valuable information about the jet behavior. It is shown that the acoustic field drastically affects the atomization process for all atomization regimes. The position of the injector in the acoustic field determines the jet response, and a droplet-clustering phenomenon is highlighted in multi-point injection conditions and quantified by determining discrete droplet location distributions. A theoretical model based on nonlinear acoustics related to the spatial distribution of the radiation pressure exerted on an object explains the behavior observed.

  1. Implications for Primordial Non-Gaussianity ($f_{NL}$) from weak lensing masses of high-z galaxy clusters

    CERN Document Server

    Jimenez, Raul

    2009-01-01

    The recent weak lensing measurement of the dark matter mass of the high-redshift galaxy cluster XMMUJ2235.3-2557 of (8.5 +- 1.7) x 10^{14} Msun at z=1.4, indicates that, if the cluster is assumed to be the result of the collapse of dark matter in a primordial gaussian field in the standard LCDM model, then its abundance should be 3-10 if the non-Gaussianity parameter f^local_NL is in the range 150-200. This value is comparable to the limit for f_NL obtained by current constraints from the CMB. We conclude that mass determination of high-redshift, massive clusters can offer a complementary probe of primordial non-gaussianity.

  2. Application of the MST clustering to the high energy gamma-ray sky. IV - Blazar candidates found as possible counterparts of photon clusters

    CERN Document Server

    Campana, R; Bernieri, E

    2016-01-01

    We present the results of a cluster search in the Fermi-LAT Pass 8 gamma-ray sky by means of the Minimum Spanning Tree algorithm, at energies higher than 10 GeV and at Galactic latitudes higher than 25 degrees. The selected clusters have a minimum number of photons higher than or equal to 5, a high degree of concentration, and are without a clear corresponding counterpart in blazar catalogues. A sample of 30 possible gamma-ray sources was obtained. These objects were verified by applying the standard Maximum Likelihood analysis on the Fermi-LAT data. A search for possible radio counterparts in a circle having a radius of 6 arcmin was performed, finding several interesting objects, the majority of them without optical spectroscopical data. These can be considered as new blazar candidates. Some of them were already noticed as possible blazars or Active Galactic Nuclei in previous surveys, but never associated with high energy emission. These possible counterparts are reported and their properties are discussed.

  3. High resolution clustering of Salmonella enterica serovar Montevideo strains using a next-generation sequencing approach

    Directory of Open Access Journals (Sweden)

    Allard Marc W

    2012-01-01

    Full Text Available Abstract Background Next-Generation Sequencing (NGS is increasingly being used as a molecular epidemiologic tool for discerning ancestry and traceback of the most complicated, difficult to resolve bacterial pathogens. Making a linkage between possible food sources and clinical isolates requires distinguishing the suspected pathogen from an environmental background and placing the variation observed into the wider context of variation occurring within a serovar and among other closely related foodborne pathogens. Equally important is the need to validate these high resolution molecular tools for use in molecular epidemiologic traceback. Such efforts include the examination of strain cluster stability as well as the cumulative genetic effects of sub-culturing on these clusters. Numerous isolates of S. Montevideo were shot-gun sequenced including diverse lineage representatives as well as numerous replicate clones to determine how much variability is due to bias, sequencing error, and or the culturing of isolates. All new draft genomes were compared to 34 S. Montevideo isolates previously published during an NGS-based molecular epidemiological case study. Results Intraserovar lineages of S. Montevideo differ by thousands of SNPs, that are only slightly less than the number of SNPs observed between S. Montevideo and other distinct serovars. Much less variability was discovered within an individual S. Montevideo clade implicated in a recent foodborne outbreak as well as among individual NGS replicates. These findings were similar to previous reports documenting homopolymeric and deletion error rates with the Roche 454 GS Titanium technology. In no case, however, did variability associated with sequencing methods or sample preparations create inconsistencies with our current phylogenetic results or the subsequent molecular epidemiological evidence gleaned from these data. Conclusions Implementation of a validated pipeline for NGS data acquisition and

  4. Characterization of aromatic organosulfur model compounds relevant to fossil fuels by using atmospheric pressure chemical ionization with CS2 and high-resolution tandem mass spectrometry.

    Science.gov (United States)

    Tang, Weijuan; Sheng, Huaming; Jin, Chunfen; Riedeman, James S; Kenttämaa, Hilkka I

    2016-04-15

    The chemistry of desulfurization involved in processing crude oil is greatly dependent on the forms of sulfur in the oil. Sulfur exists in different chemical bonding environments in fossil fuels, including those in thiophenes and benzothiophenes, thiols, sulfides, and disulfides. In this study, the fragmentation behavior of the molecular ions of 17 aromatic organosulfur compounds with various functionalities was systematically investigated by using high-resolution tandem mass spectrometry. Multiple-stage tandem mass spectrometric experiments were carried out using a linear quadrupole ion trap (LQIT) equipped with an atmospheric pressure chemical ionization (APCI) source. (+)APCI/CS2 was used to generate stable dominant molecular ions for all the compounds studied except for three sulfides that also showed abundant fragment ions. The LQIT coupled with an orbitrap mass spectrometer was used for elemental composition analysis, which facilitated the identification of the neutral molecules lost during fragmentation. The characteristic fragment ions generated in MS(2) and MS(3) experiments provide clues for the chemical bonding environment of sulfur atoms in the examined compounds. Upon collision-induced dissociation (CID), the molecular ions can lose the sulfur atom in a variety of ways, including as S (32 Da), HS(•) (33 Da), H2 S (34 Da), CS (44 Da), (•) CHS (45 Da) and CH2 S (46 Da). These neutral fragments are not only indicative of the presence of sulfur, but also of the type of sulfur present in the compound. Generally, losses of HS(•) and H2 S were found to be associated with compounds containing saturated sulfur functionalities, while losses of S, CS and (•) CHS were more common for heteroaromatic sulfur compounds. High-resolution tandem mass spectrometry with APCI/CS2 ionization is a viable approach to determining the types of organosulfur compounds. It can potentially be applied to analysis of complex mixtures, which is beneficial to improving the

  5. Benzylation of Aromatic Compounds with Benzyl Chloride Catalyzed by Nafion/SiO2 Nanocomposite Catalyst

    Institute of Scientific and Technical Information of China (English)

    Kun Guo YANG; Rui Mao HUA; Hai WANG; Bo Qing XU1

    2005-01-01

    In the presence of Nafion/SiO2 nanocomposite catalyst, the benzylation of aromatic compounds with benzyl chloride proceeded to afford diphenylmethane derivatives in high yields.The catalyst showed high catalytic activity not only for electron-rich aromatic compounds, but also for electron-poor aromatic compounds. Under identical conditions, the self-benzylation of benzyl chloride, and dibenzylation and/or multi-benzylation of aromatic compounds were negligible.

  6. Physiological characteristics of high yield under cluster planting: photosynthesis and canopy microclimate of cotton

    Directory of Open Access Journals (Sweden)

    Ting-ting Xie

    2016-01-01

    Full Text Available Cotton produces more biomass and economic yield when cluster planting pattern (three plants per hole than in a traditional planting pattern (one plant per hole, even at similar plant densities, indicating that individual plant growth is promoted by cluster planting. The causal factors for this improved growth induced by cluster planting pattern, the light interception, canopy microclimate and photosynthetic rate of cotton were investigated in an arid region of China. The results indicated that the leaf area index and light interception were higher in cluster planting, and significantly different from those in traditional planting during the middle and late growth stages. Cotton canopy humidity at different growth stages was increased but canopy temperatures were reduced by cluster planting. In the later growth stage of cluster planting, the leaf chlorophyll content was higher and the leaf net photosynthetic rate and canopy photosynthetic rate were significantly increased in comparing with traditional planting pattern. We concluded that differences in canopy light interception and photosynthetic rate were the primary factors responsible for increased biomass production and economic yield in cluster planting compared with the traditional planting of cotton.

  7. Tailoring of Pd-Pt bimetallic clusters with high stability for oxygen reduction reaction

    Science.gov (United States)

    Cheng, Daojian; Wang, Wenchuan

    2012-03-01

    The composition-dependent equilibrium structure and thermal stability of Pd-Pt clusters with the size of 55 atoms, and CO, O, OH, and O2 adsorption on these clusters have been studied using molecular simulation based on the Gupta empirical potential and density functional theory (DFT) calculations. It is found that Pd43Pt12 with a three-shell onionlike structure (TS-cluster) exhibits the highest relative stability in both DFT and Gupta levels and also the highest melting point at the Gupta level among these Pd-Pt clusters. In addition, the Pd43Pt12 TS-cluster possesses the weakest CO, O, OH, and O2 adsorption strength, compared to the Pt55, Pd55, and Pd13Pt42 clusters, indicating good catalytic activities toward the oxygen reduction reaction (ORR) among these Pd-Pt clusters considered. We expect that this kind of DFT-guided strategy by controlling the composition could provide a simple way for possibly searching new electrocatalysts.

  8. Cluster analysis

    CERN Document Server

    Everitt, Brian S; Leese, Morven; Stahl, Daniel

    2011-01-01

    Cluster analysis comprises a range of methods for classifying multivariate data into subgroups. By organizing multivariate data into such subgroups, clustering can help reveal the characteristics of any structure or patterns present. These techniques have proven useful in a wide range of areas such as medicine, psychology, market research and bioinformatics.This fifth edition of the highly successful Cluster Analysis includes coverage of the latest developments in the field and a new chapter dealing with finite mixture models for structured data.Real life examples are used throughout to demons

  9. Metal Triflates for the Production of Aromatics from Lignin

    NARCIS (Netherlands)

    Deuss, Peter J.; Lahive, Ciaran W.; Lancefield, Christopher S.; Westwood, Nicholas J.; Kamer, Paul C. J.; Barta, Katalin; de Vries, Johannes G.

    2016-01-01

    The depolymerization of lignin into valuable aromatic chemicals is one of the key goals towards establishing economically viable biorefineries. In this contribution we present a simple approach for converting lignin to aromatic monomers in high yields under mild reaction conditions. The methodology

  10. Mental health first aid training for high school teachers: a cluster randomized trial

    Directory of Open Access Journals (Sweden)

    Jorm Anthony F

    2010-06-01

    Full Text Available Abstract Background Mental disorders often have their first onset during adolescence. For this reason, high school teachers are in a good position to provide initial assistance to students who are developing mental health problems. To improve the skills of teachers in this area, a Mental Health First Aid training course was modified to be suitable for high school teachers and evaluated in a cluster randomized trial. Methods The trial was carried out with teachers in South Australian high schools. Teachers at 7 schools received training and those at another 7 were wait-listed for future training. The effects of the training on teachers were evaluated using questionnaires pre- and post-training and at 6 months follow-up. The questionnaires assessed mental health knowledge, stigmatizing attitudes, confidence in providing help to others, help actually provided, school policy and procedures, and teacher mental health. The indirect effects on students were evaluated using questionnaires at pre-training and at follow-up which assessed any mental health help and information received from school staff, and also the mental health of the student. Results The training increased teachers' knowledge, changed beliefs about treatment to be more like those of mental health professionals, reduced some aspects of stigma, and increased confidence in providing help to students and colleagues. There was an indirect effect on students, who reported receiving more mental health information from school staff. Most of the changes found were sustained 6 months after training. However, no effects were found on teachers' individual support towards students with mental health problems or on student mental health. Conclusions Mental Health First Aid training has positive effects on teachers' mental health knowledge, attitudes, confidence and some aspects of their behaviour. Trial registration ACTRN12608000561381

  11. In-clustering effects in InAlN and InGaN revealed by high pressure studies

    DEFF Research Database (Denmark)

    Gorczyca, I.; Suski, T.; Kaminska, A.;

    2010-01-01

    results are compared with the results of photoluminescence measurements performed at high hydrostatic pressures on InAlN and InGaN quasi-bulk epilayers. We discuss the modification of the uppermost valence band due to formation of In clusters which, together with the related lattice relaxations, may...

  12. Infrared High-resolution Integrated Light Spectral Analyses of M31 Globular Clusters from APOGEE

    Science.gov (United States)

    Sakari, Charli M.; Shetrone, Matthew D.; Schiavon, Ricardo P.; Bizyaev, Dmitry; Allende Prieto, Carlos; Beers, Timothy C.; Caldwell, Nelson; Aníbal García-Hernández, Domingo; Lucatello, Sara; Majewski, Steven; O'Connell, Robert W.; Pan, Kaike; Strader, Jay

    2016-10-01

    Chemical abundances are presented for 25 M31 globular clusters (GCs), based on moderately high resolution (R = 22,500) H-band integrated light (IL) spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE). Infrared (IR) spectra offer lines from new elements, lines of different strengths, and lines at higher excitation potentials compared to the optical. Integrated abundances of C, N, and O are derived from CO, CN, and OH molecular features, while Fe, Na, Mg, Al, Si, K, Ca, and Ti abundances are derived from atomic features. These abundances are compared to previous results from the optical, demonstrating the validity and value of IR IL analyses. The CNO abundances are consistent with typical tip of the red giant branch stellar abundances but are systematically offset from optical Lick index abundances. With a few exceptions, the other abundances agree between the optical and the IR within the 1σ uncertainties. The first integrated K abundances are also presented and demonstrate that K tracks the α elements. The combination of IR and optical abundances allows better determinations of GC properties and enables probes of the multiple populations in extragalactic GCs. In particular, the integrated effects of the Na/O anticorrelation can be directly examined for the first time.

  13. Cardiac motion estimation by using high-dimensional features and K-means clustering method

    Science.gov (United States)

    Oubel, Estanislao; Hero, Alfred O.; Frangi, Alejandro F.

    2006-03-01

    Tagged Magnetic Resonance Imaging (MRI) is currently the reference modality for myocardial motion and strain analysis. Mutual Information (MI) based non rigid registration has proven to be an accurate method to retrieve cardiac motion and overcome many drawbacks present on previous approaches. In a previous work1, we used Wavelet-based Attribute Vectors (WAVs) instead of pixel intensity to measure similarity between frames. Since the curse of dimensionality forbids the use of histograms to estimate MI of high dimensional features, k-Nearest Neighbors Graphs (kNNG) were applied to calculate α-MI. Results showed that cardiac motion estimation was feasible with that approach. In this paper, K-Means clustering method is applied to compute MI from the same set of WAVs. The proposed method was applied to four tagging MRI sequences, and the resulting displacements were compared with respect to manual measurements made by two observers. Results show that more accurate motion estimation is obtained with respect to the use of pixel intensity.

  14. Wave particle interactions in the high-altitude polar cusp: a Cluster case study

    Directory of Open Access Journals (Sweden)

    B. Grison

    2005-12-01

    Full Text Available On 23 March 2002, the four Cluster spacecraft crossed in close configuration (~100 km separation the high-altitude (10 RE cusp region. During a large part of the crossing, the STAFF and EFW instruments have detected strong electromagnetic wave activity at low frequencies, especially when intense field-aligned proton fluxes were detected by the CIS/HIA instrument. In all likelihood, such fluxes correspond to newly-reconnected field lines. A focus on one of these ion injection periods highlights the interaction between waves and protons. The wave activity has been investigated using the k-filtering technique. Experimental dispersion relations have been built in the plasma frame for the two most energetic wave modes. Results show that kinetic Alfvén waves dominate the electromagnetic wave spectrum up to 1 Hz (in the spacecraft frame. Above 0.8 Hz, intense Bernstein waves are also observed. The close simultaneity observed between the wave and particle events is discussed as an evidence for local wave generation. A mechanism based on current instabilities is consistent with the observations of the kinetic Alfvén waves. A weak ion heating along the recently-opened field lines is also suggested from the examination of the ion distribution functions. During an injection event, a large plasma convection motion, indicative of a reconnection site location, is shown to be consistent with the velocity perturbation induced by the large-scale Alfvén wave simultaneously detected.

  15. Simulating Retrieval from a Highly Clustered Network: Implications for Spoken Word Recognition

    Science.gov (United States)

    Vitevitch, Michael S.; Ercal, Gunes; Adagarla, Bhargav

    2011-01-01

    Network science describes how entities in complex systems interact, and argues that the structure of the network influences processing. Clustering coefficient, C – one measure of network structure – refers to the extent to which neighbors of a node are also neighbors of each other. Previous simulations suggest that networks with low C dissipate information (or disease) to a large portion of the network, whereas in networks with high C information (or disease) tends to be constrained to a smaller portion of the network (Newman, 2003). In the present simulation we examined how C influenced the spread of activation to a specific node, simulating retrieval of a specific lexical item in a phonological network. The results of the network simulation showed that words with lower C had higher activation values (indicating faster or more accurate retrieval from the lexicon) than words with higher C. These results suggest that a simple mechanism for lexical retrieval can account for the observations made in Chan and Vitevitch (2009), and have implications for diffusion dynamics in other fields. PMID:22174705

  16. Some aspects of modelling the high-latitude ionospheric convection from Cluster/Edi data

    Science.gov (United States)

    Förster, M.; Feldstein, Y. I.; Gromova, L. I.; Dremukhina, L. A.; Levitin, A. E.; Haaland, S. E.

    2013-01-01

    Measurements onboard Cluster satellites are briefly described, which form the base for determining the intensity and direction of the electric field in the magnetosphere. The aim of this paper is to describe (1) the methodology of calculating the potential distribution at the ionospheric level and the results of constructing spatiotemporal convection patterns for different orientations of the IMF vector in the GSM YZ plane; (2) derivation of basic convection patterns (BCPs), which allow to deduce the statistical ionospheric convection pattern at high latitudes for any IMF Bz and By values (statistical convection model) using different sets of independent data; (3) the consequences of enlarging the amount of data used for analysis; (4) the results of potential calculations with various orders of the spherical harmonics describing them; (5) determination of the cross-polar cap potential with different IMF sector widths (α from 45° down to 10°); (6) the results of our trials to determine the contribution of the IMF Bx component to the convection pattern.

  17. Innovative method of direct determination of the content of paraffins, naphthenes, aromatics and sulfur compounds by capillary high-resolution gas chromatography

    Directory of Open Access Journals (Sweden)

    R. Baizhumanova

    2012-03-01

    Full Text Available Based on determination of individual Hydrocarbon (paraffins, naphthenes, aromatics and Sulphur components of fuels and their mixture on the thin bonded of absorber (the stationary phase is a 100-metre silica capillary column, containing 0.5μm film thickness of bonded dimethylpolysiloxane phase by means of the selective solvents (mobile phase combined with technique of ionization of separated compounds by Flame Ionization Detector (FID and Sulphur Chemiluminescence Detector (SCD.

  18. Novel high glass temperature sugar-based epoxy resins: Characterization and comparison to mineral oil-based aliphatic and aromatic resins

    OpenAIRE

    Niedermann, P.; G. Szebenyi; A. Toldy

    2015-01-01

    Curing and rheological behaviour, glass transition temperature, mechanical and thermal properties of two newly synthesized glucopyranoside- (GPTE) and glucofuranoside- (GFTE) based renewable epoxy resin (EP) components were investigated and compared to aromatic and aliphatic EPs. The glucose-based EPs can be successfully cured with amine and anhydride type curing agents, their gel times are suitable for processing and can be well-adopted to the needs of the common composite preparation method...

  19. PEROMBAKAN SENYAWA HIDROKARBON AROMATIS POLISIKLIK (NAFTALEN PADA KADAR TINGGI OLEH Pseudomonas NY-I (Biodegradation of Polycyclic Aromatic Hydrocarbon (Naphthalene at High Concentration by Pseudomonas NY-1

    Directory of Open Access Journals (Sweden)

    Yanisworo Wijayaratih

    2001-12-01

    Full Text Available ABSTRAK Naftalen merupakan salah satu senyawa hidrokarbon aromatis polisiklik (HAP yang banyak dijumpai dalam minyak bumi, batu bara dan hasil alam lainnya. Meskipun bukan senyawa xenobiotik, naftalen dapat menjadi persoalan yang serius karena penggunaannya yang luas dan penanganan yang tidak hati-hati. Naftalen diketahui bersifat mutagenik. Penelitian ini dilakukan untuk mendapatkan isolat bakteri yang dapat merombak naftalen dan mempelajari kemampuannya merombak naftalen kadar tinggi dalam medium mineral (MM cair. Tanah yang tercemari minyak bumi dan sumber isolat diperoleh dari unit pengolah minyak Pertamina, Cilacap. Isolat dipreroleh melalui kultur diperkaya menggunakan naftalen. Jumlah naftalen yang ditambahkan ke dalam MM cair sebesar 907, 1362 dan 1813 ppm. Inkubasi dilakukan selama 28 hari dalam keadaan gelap. Parameter yang diamati meliputi: jumlah sel hidup dengan metode drop plate dan kadar naftalen sisa dengan menggunakan GC. Hasil penelitian menunjukkan bahwa isolat bakteri yang dipilih, teridentifikasi sebagai Pseudomonas NY-l. Dalam MM cair, naftalen pada semua konsentrasi terombak pada kecepatan yang mirip. Jumlah naftalen yang terombak adalah 777,3 ppm, 728,6 ppm dan 837,2 ppm dari konsentrasi awal berturut-turut sebesar 907, 1362, dan 1813 ppm.   ABSTRACT Naphthalene is one of the Polycyclic Aromatic Hydrocarbons (PAHs, found in petroleum, coal and other natural products. although, it is nonxenobiotic, it could cause a serious problem when improperly used and handled. It is considered as a mutagenic compound. This study is primarily concerned with the isolation of bacteria that could utilize naphthalene and the investigation of its biodegradation ability of naphthalene in high concentration in liquid mineral media (MM. The contaminated soil and isolates were obtained from oil treatment unit, Pertamina, Cilacap. Bacterial isolation was conducted through enriched culture. Naphthalene was added to the liquid MM at the

  20. High Performance Data Clustering: A Comparative Analysis of Performance for GPU, RASC, MPI, and OpenMP Implementations.

    Science.gov (United States)

    Yang, Luobin; Chiu, Steve C; Liao, Wei-Keng; Thomas, Michael A

    2014-10-01

    Compared to Beowulf clusters and shared-memory machines, GPU and FPGA are emerging alternative architectures that provide massive parallelism and great computational capabilities. These architectures can be utilized to run compute-intensive algorithms to analyze ever-enlarging datasets and provide scalability. In this paper, we present four implementations of K-means data clustering algorithm for different high performance computing platforms. These four implementations include a CUDA implementation for GPUs, a Mitrion C implementation for FPGAs, an MPI implementation for Beowulf compute clusters, and an OpenMP implementation for shared-memory machines. The comparative analyses of the cost of each platform, difficulty level of programming for each platform, and the performance of each implementation are presented.

  1. High Performance Data Clustering: A Comparative Analysis of Performance for GPU, RASC, MPI, and OpenMP Implementations*

    Science.gov (United States)

    Yang, Luobin; Chiu, Steve C.; Liao, Wei-Keng; Thomas, Michael A.

    2013-01-01

    Compared to Beowulf clusters and shared-memory machines, GPU and FPGA are emerging alternative architectures that provide massive parallelism and great computational capabilities. These architectures can be utilized to run compute-intensive algorithms to analyze ever-enlarging datasets and provide scalability. In this paper, we present four implementations of K-means data clustering algorithm for different high performance computing platforms. These four implementations include a CUDA implementation for GPUs, a Mitrion C implementation for FPGAs, an MPI implementation for Beowulf compute clusters, and an OpenMP implementation for shared-memory machines. The comparative analyses of the cost of each platform, difficulty level of programming for each platform, and the performance of each implementation are presented. PMID:25309040

  2. Efficient computation of k-Nearest Neighbour Graphs for large high-dimensional data sets on GPU clusters.

    Directory of Open Access Journals (Sweden)

    Ali Dashti

    Full Text Available This paper presents an implementation of the brute-force exact k-Nearest Neighbor Graph (k-NNG construction for ultra-large high-dimensional data cloud. The proposed method uses Graphics Processing Units (GPUs and is scalable with multi-levels of parallelism (between nodes of a cluster, between different GPUs on a single node, and within a GPU. The method is applicable to homogeneous computing clusters with a varying number of nodes and GPUs per node. We achieve a 6-fold speedup in data processing as compared with an optimized method running on a cluster of CPUs and bring a hitherto impossible [Formula: see text]-NNG generation for a dataset of twenty million images with 15 k dimensionality into the realm of practical possibility.

  3. High-resolution re-simulations of massive DM halos and the Fundamental Plane of galaxy clusters

    CERN Document Server

    Lanzoni, B; Ciotti, L

    2002-01-01

    Pure N-body high-resolution re-simulations of 13 massive dark matter halos in a Lambda-CDM cosmology are presented. The resulting sample is used to investigate the physical origin of the Fundamental Plane, ``Faber-Jackson'', and ``Kormendy'' relations observed for nearby galaxy clusters. In particular, we focus on the role of dissipationless hierarchical merging in establishing or modifying these relations. Contrarily to what found in the case of the Faber-Jackson and Kormendy relations for galaxies (see Londrillo, Nipoti and Ciotti, this conference), dissipationless merging on cluster scales produces scaling relations remarkably similar to the observed ones. This suggests that gas dissipation plays a minor role in the formation of galaxy clusters, and the hierarchical merger scenario is not at odd with the observed regularity of these systems.

  4. Enhancement of electric and magnetic properties by tuning Co cluster in ZnO films via high magnetic field

    Science.gov (United States)

    Gao, Yang; Li, Guojian; Wang, Zhao; Liu, Shan; Wang, Qiang

    2017-09-01

    To reveal the origin of magnetic coupling in dilute magnetic semiconductors (DMSs), this article utilized high magnetic field (HMF) in the process of oxidizing Co/Zn bilayers to study the influence of Co clusters and oxygen vacancy (Vo) content control on magnetic and electrical properties of Co doped ZnO (Co-ZnO) films. Results indicated that HMF can suppress the diffusion of Co and remain the content of Co clusters compared with oxidation growth in the absence of HMF. Moreover, HMF promoted the oxidation of Zn, improved the crystallinity in the films, and lowered the content of Vo. Consequently, the resistivity of the films oxidized in HMF was decreased by 50%, while both the saturation magnetization and coercivity were increased by 100%. This indicates that contribution of more Co clusters to the magnetic properties of the films is greater than that of Vo.

  5. See Change: the Supernova Sample from the Supernova Cosmology Project High Redshift Cluster Supernova Survey

    Science.gov (United States)

    Hayden, Brian; Perlmutter, Saul; Boone, Kyle; Nordin, Jakob; Rubin, David; Lidman, Chris; Deustua, Susana E.; Fruchter, Andrew S.; Aldering, Greg Scott; Brodwin, Mark; Cunha, Carlos E.; Eisenhardt, Peter R.; Gonzalez, Anthony H.; Jee, James; Hildebrandt, Hendrik; Hoekstra, Henk; Santos, Joana; Stanford, S. Adam; Stern, Daniel; Fassbender, Rene; Richard, Johan; Rosati, Piero; Wechsler, Risa H.; Muzzin, Adam; Willis, Jon; Boehringer, Hans; Gladders, Michael; Goobar, Ariel; Amanullah, Rahman; Hook, Isobel; Huterer, Dragan; Huang, Xiaosheng; Kim, Alex G.; Kowalski, Marek; Linder, Eric; Pain, Reynald; Saunders, Clare; Suzuki, Nao; Barbary, Kyle H.; Rykoff, Eli S.; Meyers, Joshua; Spadafora, Anthony L.; Sofiatti, Caroline; Wilson, Gillian; Rozo, Eduardo; Hilton, Matt; Ruiz-Lapuente, Pilar; Luther, Kyle; Yen, Mike; Fagrelius, Parker; Dixon, Samantha; Williams, Steven

    2017-01-01

    The Supernova Cosmology Project has finished executing a large (174 orbits, cycles 22-23) Hubble Space Telescope program, which has measured ~30 type Ia Supernovae above z~1 in the highest-redshift, most massive galaxy clusters known to date. Our SN Ia sample closely matches our pre-survey predictions; this sample will improve the constraint by a factor of 3 on the Dark Energy equation of state above z~1, allowing an unprecedented probe of Dark Energy time variation. When combined with the improved cluster mass calibration from gravitational lensing provided by the deep WFC3-IR observations of the clusters, See Change will triple the Dark Energy Task Force Figure of Merit. With the primary observing campaign completed, we present the preliminary supernova sample and our path forward to the supernova cosmology results. We also compare the number of SNe Ia discovered in each cluster with our pre-survey expectations based on cluster mass and SFR estimates. Our extensive HST and ground-based campaign has already produced unique results; we have confirmed several of the highest redshift cluster members known to date, confirmed the redshift of one of the most massive galaxy clusters at z~1.2 expected across the entire sky, and characterized one of the most extreme starburst environments yet known in a z~1.7 cluster. We have also discovered a lensed SN Ia at z=2.22 magnified by a factor of ~2.7, which is the highest spectroscopic redshift SN Ia currently known.

  6. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

    2016-09-13

    Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Group VIII metal and a crystalline alumina support.

  7. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

    2016-08-02

    Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Ni.sub.nSn.sub.m alloy and a crystalline alumina support.

  8. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

    2017-07-04

    Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Ni.sub.nSn.sub.m alloy and a crystalline alumina support.

  9. The Red Sequence of High-Redshift Clusters: A Comparison with Cosmological Galaxy Formation Models

    Science.gov (United States)

    Menci, N.

    2008-10-01

    We compare the results from a state-of-the-art semi-analytic model of galaxy formation with spectroscopic observations of the distant galaxy clusters observed in the range 1≲ z≲ 1.5. In our model we find that i) a well-defined, narrow red sequence (RS) is obtained already by z≈ 1.2; this is more populated than the field RS analogously to what observed and predicted at z=0; ii) the predicted RS colors and width have average values of 1 and 0.15, respectively, with a cluster-to-cluster variance. The width of the RS of cluster galaxy is 5-10 times lower than the corresponding field value; iii) The predicted distribution of stellar ages of RS galaxies at z=1.2 are peaked at the value τ=3.7 Gyr for both cluster and field; however, for the latter the distribution is significantly skewed toward lower ages. When compared with observations, the above findings show an overall consistency, although the average value ≈ 0.07 of the observed cluster RS width at z≈1.2 is smaller than the corresponding model central value. We discuss the physical origin and the significance of the above results in the framework of cosmological galaxy formation.

  10. The Red Sequence of High-Redshift Clusters: a Comparison with Cosmological Galaxy Formation Models

    CERN Document Server

    Menci, N; Gobat, R; Strazzullo, V; Rettura, A; Mei, S; Demarco, R

    2008-01-01

    We compare the results from a semi-analytic model of galaxy formation with spectro-photometric observations of distant galaxy clusters observed in the range 0.8< z< 1.3. We investigate the properties of their red sequence (RS) galaxies and compare them with those of the field at the same redshift. In our model we find that i) a well-defined, narrow RS is obtained already by z= 1.2; this is found to be more populated than the field RS, analogously to what observed and predicted at z=0; ii) the predicted U-V rest-frame colors and scatter of the cluster RS at z=1.2 have average values of 1 and 0.15 respectively, with a cluster-to-cluster variance of 0.2 and 0.06, respectively. The scatter of the RS of cluster galaxies is around 5 times smaller than the corresponding field value; iii) when the RS galaxies are considered, the mass growth histories of field and cluster galaxies at z=1.2 are similar, with 90 % of the stellar mass of RS galaxies at z=1.2 already formed at cosmic times t=2.5 Gyr, and 50 % at t=1...

  11. Relativistic coupled-cluster calculations of transition properties in highly charged inert-gas ions

    Science.gov (United States)

    Nandy, D. K.

    2016-11-01

    We have carried out an extensive investigation of various spectroscopic properties of highly charged inert-gas ions using a relativistic coupled-cluster method through a one-electron detachment procedure. In particular, we have calculated the atomic states 2 s22 p53/2 2P, 2 s22 p51/2 2P, and 2 s 2 p61/2 2S in F-like inert-gas ions; 3 s23 p53/2 2P, 3 s23 p51/2 2P, and 3 s 3 p61/2 2S states in Cl-like Kr, Xe, and Rn; and 4 s24 p53/2 2P, 4 s24 p51/2 2P, and 4 s 4 p61/2 2S states in Br-like Xe and Rn. Starting from a single-reference Dirac-Hartree-Fock wave function, we construct our exact atomic states by including the dynamic correlation effects in an all-order perturbative fashion. Employing this method, we estimate the ionization potential energies of three low-lying orbitals present in their respective closed-shell configurations. Since the considered highly charged inert-gas ions exhibit huge relativistic effects, we have taken into account the corrections due to Breit interaction as well as from the dominant quantum electrodynamic correction such as vacuum polarization and self-energy effects in these systems. Using our calculated relativistic atomic wave functions and energies, we accurately determine various transition properties such as wavelengths, line strengths, oscillator strengths, transition probabilities, and lifetimes of the excited states.

  12. High-throughput Analysis of Large Microscopy Image Datasets on CPU-GPU Cluster Platforms.

    Science.gov (United States)

    Teodoro, George; Pan, Tony; Kurc, Tahsin M; Kong, Jun; Cooper, Lee A D; Podhorszki, Norbert; Klasky, Scott; Saltz, Joel H

    2013-05-01

    Analysis of large pathology image datasets offers significant opportunities for the investigation of disease morphology, but the resource requirements of analysis pipelines limit the scale of such studies. Motivated by a brain cancer study, we propose and evaluate a parallel image analysis application pipeline for high throughput computation of large datasets of high resolution pathology tissue images on distributed CPU-GPU platforms. To achieve efficient execution on these hybrid systems, we have built runtime support that allows us to express the cancer image analysis application as a hierarchical data processing pipeline. The application is implemented as a coarse-grain pipeline of stages, where each stage may be further partitioned into another pipeline of fine-grain operations. The fine-grain operations are efficiently managed and scheduled for computation on CPUs and GPUs using performance aware scheduling techniques along with several optimizations, including architecture aware process placement, data locality conscious task assignment, data prefetching, and asynchronous data copy. These optimizations are employed to maximize the utilization of the aggregate computing power of CPUs and GPUs and minimize data copy overheads. Our experimental evaluation shows that the cooperative use of CPUs and GPUs achieves significant improvements on top of GPU-only versions (up to 1.6×) and that the execution of the application as a set of fine-grain operations provides more opportunities for runtime optimizations and attains better performance than coarser-grain, monolithic implementations used in other works. An implementation of the cancer image analysis pipeline using the runtime support was able to process an image dataset consisting of 36,848 4Kx4K-pixel image tiles (about 1.8TB uncompressed) in less than 4 minutes (150 tiles/second) on 100 nodes of a state-of-the-art hybrid cluster system.

  13. The clustering of merging star-forming haloes: dust emission as high frequency arcminute CMB foreground

    Science.gov (United States)

    Righi, M.; Hernández-Monteagudo, C.; Sunyaev, R. A.

    2008-02-01

    Context: Future observations of CMB anisotropies will be able to probe high multipole regions of the angular power spectrum, corresponding to a resolution of a few arcminutes. Dust emission from merging haloes is one of the foregrounds that will affect such very small scales. Aims: We estimate the contribution to CMB angular fluctuations from objects that are bright in the sub-millimeter band due to intense star formation bursts following merging episodes. Methods: We base our approach on the Lacey-Cole merger model and on the Kennicutt relation which connects the star formation rate in galaxies with their infrared luminosity. We set the free parameters of the model in order to not exceed the SCUBA source counts, the Madau plot of star formation rate in the universe and COBE/FIRAS data on the intensity of the sub-millimeter cosmic background radiation. Results: We show that the angular power spectrum arising from the distribution of such star-forming haloes will be one of the most significant foregrounds in the high frequency channels of future CMB experiments, such as PLANCK, ACT and SPT. The correlation term, due to the clustering of multiple haloes at redshift z ~ 2-6, is dominant in the broad range of angular scales 200 ⪉ l ⪉ 3000. Poisson fluctuations due to bright sub-millimeter sources are more important at higher l, but since they are generated from the bright sources, such contribution could be strongly reduced if bright sources are excised from the sky maps. The contribution of the correlation term to the angular power spectrum depends strongly on the redshift evolution of the escape fraction of UV photons and the resulting temperature of the dust. The measurement of this signal will therefore give important information about the sub-millimeter emission and the escape fraction of UV photons from galaxies, in the early stage of their evolution.

  14. On the spatial correlation between areas of high coseismic slip and aftershock clusters of the Maule earthquake Mw=8.8

    CERN Document Server

    Contreras-Reyes, Javier E

    2012-01-01

    We study the spatial distribution of clusters associated to the aftershocks of the megathrust Maule earthquake MW 8.8 of 27 February 2010. We used a recent clustering method which hinges on a nonparametric estimation of the underlying probability density function to detect subsets of points forming clusters associated to high density areas. In addition, we estimate the probability density function using a nonparametric kernel method for each of these clusters. This allow us to identify a set of regions where there is an association between frequency of events and pre-seismic locking. Specifically, our results suggest that high coseismic slip spatially correlates with high aftershock frequency.

  15. Cu, Pu and Fe high T{sub c} superconductors: Spin holes in anti-ferromagnetic clusters form nonmagnetic bipolarons

    Energy Technology Data Exchange (ETDEWEB)

    Wachter, Peter, E-mail: wachter@solid.phys.ethz.c [Laboratorium fuer Festkoerperphysik, ETH Zuerich, 8093 Zuerich (Switzerland)

    2009-03-15

    The new iron based high T{sub c} superconductors with T{sub c} up to 55 K have stirred new interest in this field. It is consensus that the BCS mechanism is not able to explain the high T{sub c}'s. In the following we propose that spin holes in anti-ferromagnetic clusters combine to make nonmagnetic bipolarons, which can condense and lead to superconductivity.

  16. CLUSTER encounters with the high altitude cusp: boundary structure and magnetic field depletions

    Directory of Open Access Journals (Sweden)

    P. J. Cargill

    2004-04-01

    Full Text Available Data from the four spacecraft Cluster mission during a high altitude cusp crossing on 13 February 2001 are presented. The spacecraft configuration has one leading spacecraft, with the three trailing spacecraft lying in a plane that corresponds roughly to the nominal magnetopause surface. The typical spacecraft separation is approximately 600km. The encounter occurs under conditions of strong and steady southward Interplanetary Magnetic Field (IMF. The cusp is identified as a seven-minute long depression in the magnetic field, associated with ion heating and a high abundance of He+. Cusp entry involves passage through a magnetopause boundary that has undergone very significant distortion from its nominal shape, is moving rapidly, and exhibits structure on scales of the order of the spacecraft separation or less. This boundary is associated with a rotation of the magnetic field, a normal field component, and a plasma flow into the cusp of approximately 35 km/s. However, it cannot be identified positively as a rotational discontinuity. Exit from the cusp into the lobe is through a boundary that is initially sharp, but then retreats tailward at a few km/s. As the leading spacecraft passes through this boundary, there is a plasma flow out of the cusp of approximately 30km/s, suggesting that this is not a tangential discontinuity. A few minutes after exit from the cusp, the three trailing the spacecraft see a single cusp-like signature in the magnetic field. There is an associated temperature increase at two of the three trailing spacecraft. Timing measurements indicate that this is due to cusp-like regions detaching from the rear of the cusp boundary, and moving tailward. The magnetic field in the cusp is highly disordered, with no obvious relation between the four spacecraft, indicative of structure on scales <<600km. However, the plasma moments show only a gradual change over many minutes. A similar cusp crossing on 20 February 2001 also

  17. High-latitude plasma convection from Cluster EDI: variances and solar wind correlations

    Directory of Open Access Journals (Sweden)

    M. Förster

    2007-07-01

    Full Text Available Based on drift velocity measurements of the EDI instruments on Cluster during the years 2001–2006, we have constructed a database of high-latitude ionospheric convection velocities and associated solar wind and magnetospheric activity parameters. In an earlier paper (Haaland et al., 2007, we have described the method, consisting of an improved technique for calculating the propagation delay between the chosen solar wind monitor (ACE and Earth's magnetosphere, filtering the data for periods of sufficiently stable IMF orientations, and mapping the EDI measurements from their high-altitude positions to ionospheric altitudes. The present paper extends this study, by looking at the spatial pattern of the variances of the convection velocities as a function of IMF orientation, and by performing sortings of the data according to the IMF magnitude in the GSM y-z plane, |ByzIMF|, the estimated reconnection electric field, Er,sw, the solar wind dynamic pressure, Pdyn, the season, and indices characterizing the ring current (Dst and tail activity (ASYM-H. The variability of the high-latitude convection shows characteristic spatial patterns, which are mirror symmetric between the Northern and Southern Hemispheres with respect to the IMF By component. The latitude range of the highest variability zone varies with IMF Bz similar to the auroral oval extent. The magnitude of convection standard deviations is of the same order as, or even larger than, the convection magnitude itself. Positive correlations of polar cap activity are found with |ByzIMF| and with Er,sw, in particular. The strict linear increase for small magnitudes of Er,sw starts to deviate toward a flattened increase above about 2 mV/m. There is also a weak positive correlation with Pdyn. At

  18. Birds and polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Albers, P.H.

    2006-01-01

    Polycyclic aromatic hydrocarbons (PAH) are present throughout the global environment and are produced naturally and by activities of humans. Effects of PAH on birds have been determined by studies employing egg injection, egg immersion, egg shell application, single and multiple oral doses, subcutaneous injection, and chemical analysis of field-collected eggs and tissue. The four-to six-ring aromatic compounds are the most toxic to embryos, young birds, and adult birds. For embryos, effects include death, developmental abnormalities, and a variety of cellular and biochemical responses. For adult and young birds, effects include reduced egg production and hatching, increased clutch or brood abandonment, reduced growth, increased organweights, and a variety of biochemical responses. Trophic level accumulation is unlikely. Environmental exposure to PAH in areas of high human population or habitats affected by recent petroleum spills might be sufficient to adversely affect reproduction. Evidence of long-term effects of elevated concentrations of environmental PAH on bird populations is very limited and the mechanisms of effect are unclear.

  19. JMS: An Open Source Workflow Management System and Web-Based Cluster Front-End for High Performance Computing

    Science.gov (United States)

    Brown, David K.; Penkler, David L.; Musyoka, Thommas M.; Bishop, Özlem Tastan

    2015-01-01

    Complex computational pipelines are becoming a staple of modern scientific research. Often these pipelines are resource intensive and require days of computing time. In such cases, it makes sense to run them over high performance computing (HPC) clusters where they can take advantage of the aggregated resources of many powerful computers. In addition to this, researchers often want to integrate their workflows into their own web servers. In these cases, software is needed to manage the submission of jobs from the web interface to the cluster and then return the results once the job has finished executing. We have developed the Job Management System (JMS), a workflow management system and web interface for high performance computing (HPC). JMS provides users with a user-friendly web interface for creating complex workflows with multiple stages. It integrates this workflow functionality with the resource manager, a tool that is used to control and manage batch jobs on HPC clusters. As such, JMS combines workflow management functionality with cluster administration functionality. In addition, JMS provides developer tools including a code editor and the ability to version tools and scripts. JMS can be used by researchers from any field to build and run complex computational pipelines and provides functionality to include these pipelines in external interfaces. JMS is currently being used to house a number of bioinformatics pipelines at the Research Unit in Bioinformatics (RUBi) at Rhodes University. JMS is an open-source project and is freely available at https://github.com/RUBi-ZA/JMS. PMID:26280450

  20. JMS: An Open Source Workflow Management System and Web-Based Cluster Front-End for High Performance Computing.

    Science.gov (United States)

    Brown, David K; Penkler, David L; Musyoka, Thommas M; Bishop, Özlem Tastan

    2015-01-01

    Complex computational pipelines are becoming a staple of modern scientific research. Often these pipelines are resource intensive and require days of computing time. In such cases, it makes sense to run them over high performance computing (HPC) clusters where they can take advantage of the aggregated resources of many powerful computers. In addition to this, researchers often want to integrate their workflows into their own web servers. In these cases, software is needed to manage the submission of jobs from the web interface to the cluster and then return the results once the job has finished executing. We have developed the Job Management System (JMS), a workflow management system and web interface for high performance computing (HPC). JMS provides users with a user-friendly web interface for creating complex workflows with multiple stages. It integrates this workflow functionality with the resource manager, a tool that is used to control and manage batch jobs on HPC clusters. As such, JMS combines workflow management functionality with cluster administration functionality. In addition, JMS provides developer tools including a code editor and the ability to version tools and scripts. JMS can be used by researchers from any field to build and run complex computational pipelines and provides functionality to include these pipelines in external interfaces. JMS is currently being used to house a number of bioinformatics pipelines at the Research Unit in Bioinformatics (RUBi) at Rhodes University. JMS is an open-source project and is freely available at https://github.com/RUBi-ZA/JMS.