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Sample records for high aromatic clusters

  1. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr.; Allamandola, Louis J.

    2013-01-01

    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

  2. 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.

  3. Clustering at high redshifts

    International Nuclear Information System (INIS)

    Shaver, P.A.

    1986-01-01

    Evidence for clustering of and with high-redshift QSOs is discussed. QSOs of different redshifts show no clustering, but QSOs of similar redshifts appear to be clustered on a scale comparable to that of galaxies at the present epoch. In addition, spectroscopic studies of close pairs of QSOs indicate that QSOs are surrounded by a relatively high density of absorbing matter, possibly clusters of galaxies

  4. 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...... for clustering are required. Consequently, recent research has focused on developing techniques and clustering algorithms specifically for high-dimensional data. Still, open research issues remain. Clustering is a data mining task devoted to the automatic grouping of data based on mutual similarity. Each cluster...

  5. Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.

    Science.gov (United States)

    Jiménez-Halla, J Oscar C; Matito, Eduard; Blancafort, Lluís; Robles, Juvencio; Solà, Miquel

    2009-12-01

    In this work, we analyze the geometry and electronic structure of the [X(n)M(3)](n-2) species (M = Be, Mg, and Ca; X = Li, Na, and K; n = 0, 1, and 2), with special emphasis on the electron delocalization properties and aromaticity of the cyclo-[M(3)](2-) unit. The cyclo-[M(3)](2-) ring is held together through a three-center two-electron bond of sigma-character. Interestingly, the interaction of these small clusters with alkali metals stabilizes the cyclo-[M(3)](2-) ring and leads to a change from sigma-aromaticity in the bound state of the cyclo-[M(3)](2-) to pi-aromaticity in the XM(3) (-) and X(2)M(3) metallic clusters. Our results also show that the aromaticity of the cyclo-[M(3)](2-) unit in the X(2)M(3) metallic clusters depends on the nature of X and M. Moreover, we explored the possibility for tuning the aromaticity by simply moving X perpendicularly to the center of the M(3) ring. The Na(2)Mg(3), Li(2)Mg(3), and X(2)Ca(3) clusters undergo drastic aromaticity alterations when changing the distance from X to the center of the M(3) ring, whereas X(2)Be(3) and K(2)Mg(3) keep its aromaticity relatively constant along this process. (c) 2009 Wiley Periodicals, Inc.

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

    Energy Technology Data Exchange (ETDEWEB)

    Sachleben, Joseph R. [Biomolecular NMR Core Facility, University of Chicago, Chicago Illinois; Adhikari, Aashish N. [Department of Chemistry, University of Chicago, Chicago Illinois; Gawlak, Grzegorz [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Hoey, Robert J. [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Liu, Gaohua [Northeast Structural Genomics Consortium (NESG), Department of Molecular Biology and Biochemistry, School of Arts and Sciences, and Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and Center for Advanced Biotechnology and Medicine, Rutgers, The State University of New Jersey, Piscataway New Jersey; Joachimiak, Andrzej [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Biological Sciences Division, Argonne National Laboratory, Argonne Illinois; Montelione, Gaetano T. [Northeast Structural Genomics Consortium (NESG), Department of Molecular Biology and Biochemistry, School of Arts and Sciences, and Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and Center for Advanced Biotechnology and Medicine, Rutgers, The State University of New Jersey, Piscataway New Jersey; Sosnick, Tobin R. [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Koide, Shohei [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Department of Biochemistry and Molecular Pharmacology and the Perlmutter Cancer Center, New York University School of Medicine, New York New York

    2016-11-10

    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.

  7. Enhanced polarizability of aromatic molecules placed in the vicinity of silver clusters

    International Nuclear Information System (INIS)

    Mayer, A; Schatz, G C

    2009-01-01

    We use a charge-dipole interaction model to study the polarizability of aromatic molecules that are placed between two silver clusters. In particular we examine the enhancement in polarizability induced by the clusters at plasmon-like resonant frequencies of the cluster-molecule-cluster system. The model used for these simulations relies on representation of the atoms by both a net electric charge and a dipole. By relating the time variation of the atomic charges to the currents that flow through the bonds of the structures considered, a least-action principle can be formulated that enables the atomic charges and dipoles to be determined. We consider benzene, naphthalene and anthracene for this study, comparing the polarizability of these aromatic molecules when placed in the middle between two Ag 120 clusters, with their polarizability as isolated molecules. We find that the polarizability of these molecules is enhanced by the clusters, and this increases the electromagnetic coupling between the two clusters. This results in significant red-shifting (by up to 0.8 eV) of the lowest energy optical transition in the cluster-molecule-cluster system compared to plasmon-like excitation in the cluster-cluster system. The resulting resonant polarizability enhancement leads to an electromagnetic enhancement in surface-enhanced Raman scattering of over 10 6 .

  8. Theoretical study of aromaticity in inorganic tetramer clusters

    Indian Academy of Sciences (India)

    4 . A positive value represents an unbound state or in other words reflects that doubly negatively charged clusters are extremely reactive. In earlier work34 we have shown that similar isoelectronic neutral clusters like Al2Si2, Ga2Si2 have negative energy eigenvalues of the highest occupied molecular orbitals (HOMO), and ...

  9. The Raman and vibronic activity of intermolecular vibrations in aromatic-containing complexes and clusters

    International Nuclear Information System (INIS)

    Maxton, P.M.; Schaeffer, M.W.; Ohline, S.M.; Kim, W.; Venturo, V.A.; Felker, P.M.

    1994-01-01

    Theoretical and experimental results pertaining to the excitation of intermolecular vibrations in the Raman and vibronic spectra of aromatic-containing, weakly bound complexes and clusters are reported. The theoretical analysis of intermolecular Raman activity is based on the assumption that the polarizability tensor of a weakly bound species is given by the sum of the polarizability tensors of its constituent monomers. The analysis shows that the van der Waals bending fundamentals in aromatic--rare gas complexes may be expected to be strongly Raman active. More generally, it predicts strong Raman activity for intermolecular vibrations that involve the libration or internal rotation of monomer moieties having appreciable permanent polarizability anisotropies. The vibronic activity of intermolecular vibrations in aromatic-rare gas complexes is analyzed under the assumption that every vibronic band gains its strength from an aromatic-localized transition. It is found that intermolecular vibrational excitations can accompany aromatic-localized vibronic excitations by the usual Franck--Condon mechanism or by a mechanism dependent on the librational amplitude of the aromatic moiety during the course of the pertinent intermolecular vibration. The latter mechanism can impart appreciable intensity to bands that are forbidden by rigid-molecule symmetry selection rules. The applicability of such rules is therefore called into question. Finally, experimental spectra of intermolecular transitions, obtained by mass-selective, ionization-detected stimulated Raman spectroscopies, are reported for benzene--X (X=Ar, --Ar 2 , N 2 , HCl, CO 2 , and --fluorene), fluorobenzene--Ar and --Kr, aniline--Ar, and fluorene--Ar and --Ar 2 . The results support the conclusions of the theoretical analyses and provide further evidence for the value of Raman methods in characterizing intermolecular vibrational level structures

  10. 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.

  11. Molecular growth in clusters of polycyclic aromatic hydrocarbons induced by collisions with ions

    International Nuclear Information System (INIS)

    Delaunay, Rudy

    2016-01-01

    This thesis concerns the experimental study of the interaction between low energy ions (keV range) and neutral isolated molecules or clusters of polycyclic aromatic hydrocarbons (PAH) in the gas phase. The use of ionising radiations on these complex molecular systems of astrophysical interest allowed to highlight processes of statistical fragmentation, corresponding to the redistribution of the energy through the degrees of freedom of the target, and non-statistical fragmentation, linked to binary collisions of the ions on the nuclei of the target. A mechanism of intermolecular growth in clusters of PAH is observed. It is associated to the ultrafast (≤ ps) formation of fragments inside the clusters following binary collisions. The presence of a molecular environment around the fragments formed during the interaction may initiate a process of reactivity between the fragments and the molecules of the clusters. More precisely, the study focusses on the importance of the electronic stopping power SE and the nuclear stopping power SN of the projectile ion. It shows that the molecular growth is enhanced when SN is higher than SE. This can be explained by the fact that the deposit of energy is mainly due to the interaction with the nuclei of the target. The process of growth has been observed for all the molecules of PAH studied during this thesis and also for nitrogenated analogues of the molecule of anthracene. This demonstrates that molecular growth may be efficiently induced by collisions of low energy ions with clusters of PAH. (author) [fr

  12. A neurotoxicity assessment of high flash aromatic naphtha.

    Science.gov (United States)

    Douglas, J F; McKee, R H; Cagen, S Z; Schmitt, S L; Beatty, P W; Swanson, M S; Schreiner, C A; Ulrich, C E; Cockrell, B Y

    1993-01-01

    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 also known as High Flash Aromatic Naphtha (HFAN). A program was initiated to assess the toxicological properties of HFAN since there may be human exposure, especially in the workplace. The current study was conducted to assess the potential for neurotoxicity in the rat. Adult male Sprague-Dawley rats of approximately 300 grams body weight, in groups of twenty, were exposed by inhalation to HFAN for 90 days at concentrations of 0, 100, 500, and 1500 ppm. During this period the animals were tested monthly for motor activity and in a functional observation battery. After three months of exposure, for 6 hours/day, 5 days/week, 10 animals/group/sex were sacrificed and selected nervous system tissue was examined histopathologically. No signs of neurotoxicity were seen in any of the evaluated parameters, nor was there evidence of pathologic changes in any of the examined tissues.

  13. Highly reddened Ara cluster revisited

    International Nuclear Information System (INIS)

    Koornneef, J.

    1976-01-01

    New infrared observations in a highly reddened (Asub(V)>12sup(m)) cluster in Ara are presented and discussed. Some of the stars, previously classified as M-type supergiants, exhibit a strong infrared excess to be attributed to thermospheres

  14. A study on the coagulation of polycyclic aromatic hydrocarbon clusters to determine their collision efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Raj, Abhijeet; Sander, Markus; Janardhanan, Vinod; Kraft, Markus [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA (United Kingdom)

    2010-03-15

    This paper presents a theoretical study on the physical interaction between polycyclic aromatic hydrocarbons (PAHs) and their clusters of different sizes in laminar premixed flames. Two models are employed for this study: a detailed PAH growth model, referred to as the kinetic Monte Carlo - aromatic site (KMC-ARS) model [Raj et al., Combust. Flame 156 (2009) 896-913]; and a multivariate PAH population balance model, referred to as the PAH - primary particle (PAH-PP) model. Both the models are solved by kinetic Monte Carlo methods. PAH mass spectra are generated using the PAH-PP model, and compared to the experimentally observed spectra for a laminar premixed ethylene flame. The position of the maxima of PAH dimers in the spectra and their concentrations are found to depend strongly on the collision efficiency of PAH coagulation. The variation in the collision efficiency with various flame and PAH parameters is studied to determine the factors on which it may depend. A correlation for the collision efficiency is proposed by comparing the computed and the observed spectra for an ethylene flame. With this correlation, a good agreement between the computed and the observed spectra for a number of laminar premixed ethylene flames is found. (author)

  15. Spectroscopy of electronic transitions in Polycyclic Aromatic Hydrocarbon cations and their clusters

    International Nuclear Information System (INIS)

    Friha, Hela

    2012-01-01

    This thesis is an experimental study of the electronic spectroscopy of cations of Polycyclic Aromatic Hydrocarbons (PAHs) and their aggregates in conditions close to those of the interstellar medium (ISM), i.e. cold and totally isolated in the gas phase. It is related to the astrophysical context of the interstellar medium (ISM), in particular on the question of the possible link between interstellar PAHs and Diffuse Interstellar Bands (DIBs). The purpose of this thesis is to provide laboratory spectra which can be directly compared to the spectra of DIBs. Indeed these bands are the oldest spectroscopy riddle in astrophysics which remained unanswered for nearly 100 years and whose key is still looked for. A special attention is given to the methylated derivatives of PAHs species detected in many interstellar environments, cationic PAH dimers (the simplest PAH clusters). These clusters have been proposed as a model of the very small grains, which contribute to the formation of interstellar PAHs and whose chemical composition remains uncertain. This thesis has been mainly devoted to the determination of the electronic spectra of naphthalene cation monomer (Np + ) and its methylated derivative (2-MeN p + ), as well as the associated homogeneous dimers. The experimental method used is based on the photodissociation of van der Waals complexes PAH + m -Ar n (argon atoms spectators), prepared by UV laser photoionization in a supersonic jet. This technique combines different experimental tools, namely: molecular beam mass spectrometry and laser spectroscopy as well as physical tools such as the handling of clusters VdW PAH + m -Ar n , the detection of photo-fragments, the measurement of photodissociation efficiency. The identification of the fragments by the photodissociation of VdW clusters allowed us to determine the different possible fragmentation channels and especially to obtain the spectra the charge resonance transition and the first allowed transition to locally

  16. 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

  17. Formation of highly oxygenated organic molecules from aromatic compounds

    Science.gov (United States)

    Molteni, Ugo; Bianchi, Federico; Klein, Felix; El Haddad, Imad; Frege, Carla; Rossi, Michel J.; Dommen, Josef; Baltensperger, Urs

    2018-02-01

    Anthropogenic volatile organic compounds (AVOCs) often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHCs), such as benzene, toluene, xylenes, and trimethylbenzenes, e.g., from the handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that the oxidation of aromatics with OH leads to a subsequent autoxidation chain reaction forming highly oxygenated molecules (HOMs) with an O : C ratio of up to 1.09. This is exemplified for five single-ring ArHCs (benzene, toluene, o-/m-/p-xylene, mesitylene (1,3,5-trimethylbenzene) and ethylbenzene), as well as two conjugated polycyclic ArHCs (naphthalene and biphenyl). We report the elemental composition of the HOMs and show the differences in the oxidation patterns of these ArHCs. A potential pathway for the formation of these HOMs from aromatics is presented and discussed. We hypothesize that AVOCs may contribute substantially to new particle formation events that have been detected in urban areas.

  18. Formation of highly oxygenated organic molecules from aromatic compounds

    Directory of Open Access Journals (Sweden)

    U. Molteni

    2018-02-01

    Full Text Available Anthropogenic volatile organic compounds (AVOCs often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHCs, such as benzene, toluene, xylenes, and trimethylbenzenes, e.g., from the handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that the oxidation of aromatics with OH leads to a subsequent autoxidation chain reaction forming highly oxygenated molecules (HOMs with an O : C ratio of up to 1.09. This is exemplified for five single-ring ArHCs (benzene, toluene, o-/m-/p-xylene, mesitylene (1,3,5-trimethylbenzene and ethylbenzene, as well as two conjugated polycyclic ArHCs (naphthalene and biphenyl. We report the elemental composition of the HOMs and show the differences in the oxidation patterns of these ArHCs. A potential pathway for the formation of these HOMs from aromatics is presented and discussed. We hypothesize that AVOCs may contribute substantially to new particle formation events that have been detected in urban areas.

  19. Aromatic Polyketide GTRI-02 is a Previously Unidentified Product of the act Gene Cluster in Streptomyces coelicolor A3(2).

    Science.gov (United States)

    Wu, Changsheng; Ichinose, Koji; Choi, Young Hae; van Wezel, Gilles P

    2017-07-18

    The biosynthesis of aromatic polyketides derived from type II polyketide synthases (PKSs) is complex, and it is not uncommon that highly similar gene clusters give rise to diverse structural architectures. The act biosynthetic gene cluster (BGC) of the model actinomycete Streptomyces coelicolor A3(2) is an archetypal type II PKS. Here we show that the act BGC also specifies the aromatic polyketide GTRI-02 (1) and propose a mechanism for the biogenesis of its 3,4-dihydronaphthalen-1(2H)-one backbone. Polyketide 1 was also produced by Streptomyces sp. MBT76 after activation of the act-like qin gene cluster by overexpression of the pathway-specific activator. Mining of this strain also identified dehydroxy-GTRI-02 (2), which most likely originated from dehydration of 1 during the isolation process. This work shows that even extensively studied model gene clusters such as act of S. coelicolor can still produce new chemistry, offering new perspectives for drug discovery. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Stability and aromaticity of nH2@B12N12 (n=1–12 clusters

    Directory of Open Access Journals (Sweden)

    Pratim K. Chattaraj

    2011-04-01

    Full Text Available Standard ab initio and density functional calculations are carried out to determine the structure, stability, and reactivity of B12N12 clusters with hydrogen doping. To lend additional support, conceptual DFT-based reactivity descriptors and the associated electronic structure principles are also used. Related cage aromaticity of this B12N12 and nH2@B12N12 are analyzed through the nucleus independent chemical shift values.

  1. High-energy chemical processes: Laser irradiation of aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Trifunac, A.D.; Liu, A.D.; Loffredo, D.M.

    1994-01-01

    Recent studies of the high-energy photochemical degradation of polycyclic aromatic hydrocarbons (PAHs) in solution have furthered our fundamental understanding of the way in which radiation interacts with matter. A new comprehensive mechanism that unifies many of the seemingly contradictory observations in radiation and photochemistry has been proposed on basis of evidence gathered using specialized techniques such as transient optical spectroscopy and transient dc conductivity. The PAH molecules were activated by two-photon ionization, and behavior of the transient ions were monitored as a function of photon energy. It was found that a greater percentage of ions retain sufficient energy to decompose when higher energy light was used. When these cations decompose they leave a trail of products that establish a ''high-energy'' decomposition pathway that involves proton transfer from the ion, a mechanism hitherto not considered in photoionization processes

  2. 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.

  3. 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.

  4. Tug of war between AO-hybridization and aromaticity in dictating structures of Li-doped alkali clusters

    Science.gov (United States)

    Alexandrova, Anastassia N.

    2012-04-01

    Hybridization of atomic orbitals is a widely appreciated phenomenon in organic chemistry. Here, we demonstrate that hybridization also can dramatically impact the shapes of small all-alkali metal clusters, and oppose σ-aromaticity in defining cluster shapes. The valence-iso-electronic LiNa4- and LiK4- clusters adopt different global minimum structures: LiNa4- is a planar C2v (1A1) species distorted from the perfect pentagon, and LiK4- is a planar square D4h (1A1g) species with Li being in the centre. This effect is rooted in the different degrees of the 2s-2p hybridization in Li in response to binding to Na versus K.

  5. Aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Roder, M.

    1985-01-01

    Papers dealing with radiolysis of aromatic hydrocarbons of different composition (from benzene to terphenyls and hydrocarbons with condensed rings) as well as their mixtures (with alkanes, alkenes, other aromatic hydrocarbons) are reviewed. High radiation stability of aromatic hydrocarbons in condensed phases associated with peculiarities of molecular structure of compounds is underlined. Mechanisms of radiolytic processes, vaues of product yields are considered

  6. Improvement of activity and stability of Chondroitinase ABC I by introducing an aromatic cluster at the surface of protein.

    Science.gov (United States)

    Shahaboddin, Mohammad Esmaeil; Khajeh, Khosro; Maleki, Monireh; Golestani, Abolfazl

    2017-10-01

    Chondroitinase ABC I (ChABC I) has been shown to depolymerize a variety of glycosaminoglycan substrates and promote regeneration of damaged spinal cord. However, to date, intrathecal delivery methods have been suboptimal largely due to enzyme instability which necessitates repeated administration to the injured loci. Among the aromatic amino acids, tyrosine has been shown to be more effective in creation of stable clusters and further stabilize of the proteins. Bioinformatics approaches have been used to examine the effect of an extra aromatic cluster at the surface of ChABC I. In this study two amino acids i.e., Asn 806 and Gln 810 were mutated to tyrosine and to alanine as negative control. In this way, four variants i.e., N806Y/Q810Y, N806A/Q810Y, N806Y/Q810A and N806A/Q810A were created. The results showed that N806Y/Q810Y mutation improved both activity and thermal stability of the enzyme while Ala substitution reduced the enzyme activity and destabilized it. Structural analysis of mutants showed an increase in intrinsic fluorescence intensity and secondary structure content of N806Y/Q810Y mutant when compared to the wild type enzyme indicating a more rigid structure of this variant. Moreover, the N806Y/Q810Y enzyme displayed a remarkable resistance against trypsin degradation with a half-life (t 1/2 ) of 45.0min versus 32.5min of wild-type. In conclusion, the data revealed that structural features and activity of ChABC I can be improved by introducing appropriate aromatic clusters at the surface of the enzyme. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. 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.

  8. 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…

  9. High atmosphere–ocean exchange of semivolatile aromatic hydrocarbons

    KAUST Repository

    Gonzá lez-Gaya, Belé n; Ferná ndez-Pinos, Marí a-Carmen; Morales, Laura; Mé janelle, Laurence; Abad, Esteban; Piñ a, Benjamin; Duarte, Carlos M.; Jimé nez, Begoñ a; Dachs, Jordi

    2016-01-01

    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

  10. 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.

  11. 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

  12. Coaxial triple-layered versus helical Be{sub 6}B{sub 11}{sup -} clusters. Dual structural fluxionality and multifold aromaticity

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Jin-Chang [Institute of Materials Science and Department of Chemistry, Xinzhou Teachers University, Shanxi (China); Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan (China); Feng, Lin-Yan; Wang, Ying-Jin; Zhai, Hua-Jin [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan (China); Jalife, Said; Vasquez-Espinal, Alejandro; Cabellos, Jose Luis; Pan, Sudip; Merino, Gabriel [Departamento de Fisica Aplicada, Centro de Investigacion y de Estudios Avanzados, Unidad Merida, km 6 Antigua carretera a Progreso, Merida, Yuc. (Mexico)

    2017-08-14

    Two low-lying structures are unveiled for the Be{sub 6}B{sub 11}{sup -} nanocluster system that are virtually isoenergetic. The first, triple-layered cluster has a peripheral B{sub 11} ring as central layer, being sandwiched by two Be{sub 3} rings in a coaxial fashion, albeit with no discernible interlayer Be-Be bonding. The B{sub 11} ring revolves like a flexible chain even at room temperature, gliding freely around the Be{sub 6} prism. At elevated temperatures (1000 K), the Be{sub 6} core itself also rotates; that is, two Be{sub 3} rings undergo relative rotation or twisting with respect to each other. Bonding analyses suggest four-fold (π and σ) aromaticity, offering a dilute and fluxional electron cloud that lubricates the dynamics. The second, helix-type cluster contains a B{sub 11} helical skeleton encompassing a distorted Be{sub 6} prism. It is chiral and is the first nanosystem with a boron helix. Molecular dynamics also shows that at high temperature the helix cluster readily converts into the triple-layered one. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: Application to polycyclic aromatic hydrocarbon clusters

    Science.gov (United States)

    Rapacioli, Mathias; Spiegelman, Fernand; Talbi, Dahbia; Mineva, Tzonka; Goursot, Annick; Heine, Thomas; Seifert, Gotthard

    2009-06-01

    The density functional based tight binding (DFTB) is a semiempirical method derived from the density functional theory (DFT). It inherits therefore its problems in treating van der Waals clusters. A major error comes from dispersion forces, which are poorly described by commonly used DFT functionals, but which can be accounted for by an a posteriori treatment DFT-D. This correction is used for DFTB. The self-consistent charge (SCC) DFTB is built on Mulliken charges which are known to give a poor representation of Coulombic intermolecular potential. We propose to calculate this potential using the class IV/charge model 3 definition of atomic charges. The self-consistent calculation of these charges is introduced in the SCC procedure and corresponding nuclear forces are derived. Benzene dimer is then studied as a benchmark system with this corrected DFTB (c-DFTB-D) method, but also, for comparison, with the DFT-D. Both methods give similar results and are in agreement with references calculations (CCSD(T) and symmetry adapted perturbation theory) calculations. As a first application, pyrene dimer is studied with the c-DFTB-D and DFT-D methods. For coronene clusters, only the c-DFTB-D approach is used, which finds the sandwich configurations to be more stable than the T-shaped ones.

  14. First high energy hydrogen cluster beams

    International Nuclear Information System (INIS)

    Gaillard, M.J.; Genre, R.; Hadinger, G.; Martin, J.

    1993-03-01

    The hydrogen cluster accelerator of the Institut de Physique Nucleaire de Lyon (IPN Lyon) has been upgraded by adding a Variable Energy Post-accelerator of RFQ type (VERFQ). This operation has been performed in the frame of a collaboration between KfK Karlsruhe, IAP Frankfurt and IPN Lyon. The facility has been designed to deliver beams of mass selected Hn + clusters, n chosen between 3 and 49, in the energy range 65-100 keV/u. For the first time, hydrogen clusters have been accelerated at energies as high as 2 MeV. This facility opens new fields for experiments which will greatly benefit from a velocity range never available until now for such exotic projectiles. (author) 13 refs.; 1 fig

  15. Hydrocracking of coal extracts to highly aromatic petroleum

    Energy Technology Data Exchange (ETDEWEB)

    Kotowski, W; Gorski, R

    1972-07-01

    Coal extracts were hydrocracked at 400 to 450/sup 0/C, 250 atm, 0.8 to 2.0 hr/sup -1/ space velocity, and with 1.5 cu m/l./hr of hydrogen over a bed of fluidized, 0.6 to 0.8 mm granules of nickel-molybdenum zeolite catalyst using the Consolidation Coal Co. process. The 330/sup 0/C bp extract was diluted with the 230 to 320/sup 0/C fraction of the product. At 440/sup 0/C and 1.2 hr/sup -1/ space velocity, the hydrotreatment removed 97% of the sulfur compounds, 95% of oxygen compounds, and 92% of nitrogen compounds. The yield of 35 to 230/sup 0/C gasoline stock decreased with increasing feed space velocity, but that of 230 to 340/sup 0/C gas oils increased. The synthetic crude product contained 48.7% aromatics, 35.1% naphthenes, 13.4% paraffins, 2.8% olefins, 0.14% sulfur, and 1.07% asphaltene. The product is compared with Romashkino crude.

  16. 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.

  17. Enhanced high-order harmonic generation from Argon-clusters

    NARCIS (Netherlands)

    Tao, Yin; Hagmeijer, Rob; Bastiaens, Hubertus M.J.; Goh, S.J.; van der Slot, P.J.M.; Biedron, S.; Milton, S.; Boller, Klaus J.

    2017-01-01

    High-order harmonic generation (HHG) in clusters is of high promise because clusters appear to offer an increased optical nonlinearity. We experimentally investigate HHG from Argon clusters in a supersonic gas jet that can generate monomer-cluster mixtures with varying atomic number density and

  18. 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.

  19. High performance liquid chromatographic separation of polycyclic aromatic hydrocarbons on microparticulate pyrrolidone and application to the analysis of shale oil

    International Nuclear Information System (INIS)

    Mourey, T.H.; Siggia, S.; Uden, P.C.; Crowley, R.J.

    1980-01-01

    A chemically bonded pyrrolidone substrate is used for the high performance liquid chromatographic separation of polycyclic aromatic hydrocarbons. The cyclic amide phase interacts electronically with the polycyclic aromatic hydrocarbons in both the normal and reversed phase modes. Separation is effected according to the number of aromatic rings and the type of ring condensation. Information obtained is very different from that observed on hydrocarbon substrates, and thus these phases can be used in a complementary fashion to give a profile of polycyclic aromatics in shale oil samples. 7 figures, 1 table

  20. 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

  1. GALAXY CLUSTERS AT HIGH REDSHIFT AND EVOLUTION OF BRIGHTEST CLUSTER GALAXIES

    International Nuclear Information System (INIS)

    Wen, Z. L.; Han, J. L.

    2011-01-01

    Identification of high-redshift clusters is important for studies of cosmology and cluster evolution. Using photometric redshifts of galaxies, we identify 631 clusters from the Canada-France-Hawaii Telescope (CFHT) wide field, 202 clusters from the CFHT deep field, 187 clusters from the Cosmic Evolution Survey (COSMOS) field, and 737 clusters from the Spitzer Wide-area InfraRed Extragalactic Survey (SWIRE) field. The redshifts of these clusters are in the range 0.1 ∼ + - m 3.6 μ m colors of the BCGs are consistent with a stellar population synthesis model in which the BCGs are formed at redshift z f ≥ 2 and evolved passively. The g' - z' and B - m 3.6μm colors of the BCGs at redshifts z > 0.8 are systematically bluer than the passive evolution model for galaxies formed at z f ∼ 2, indicating star formation in high-redshift BCGs.

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

    International Nuclear Information System (INIS)

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

    1992-01-01

    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

  3. Cluster-assembled overlayers and high-temperature superconductors

    International Nuclear Information System (INIS)

    Ohno, T.R.; Yang, Y.; Kroll, G.H.; Krause, K.; Schmidt, L.D.; Weaver, J.H.; Kimachi, Y.; Hidaka, Y.; Pan, S.H.; de Lozanne, A.L.

    1991-01-01

    X-ray photoemission results for interfaces prepared by cluster assembly with nanometer-size clusters deposited on high-T c superconductors (HTS's) show a reduction in reactivity because atom interactions with the surface are replaced by cluster interactions. Results for conventional atom deposition show the formation of overlayer oxides that are related to oxygen depletion and disruption of the near-surface region of the HTS's. For cluster assembly of Cr and Cu, there is a very thin reacted region on single-crystal Bi 2 Sr 2 CaCu 2 O 8 . Reduced reactivity is observed for Cr cluster deposition on single-crystal YBa 2 Cu 3 O 7 -based interfaces. There is no evidence of chemical modification of the surface for Ge and Au cluster assembly on Bi 2 Sr 2 CaCu 2 O 8 (100). The overlayer grown by Au cluster assembly on Bi 2 Sr 2 CaCu 2 O 8 covers the surface at low temperature but roughening occurs upon warming to 300 K. Scanning-tunneling-microscopy results for the Au(cluster)/Bi 2 Sr 2 CaCu 2 O 8 system warmed to 300 K shows individual clusters that have coalesced into large clusters. These results offer insight into the role of surface energies and cluster interactions in determining the overlayer morphology. Transmission-electron-microscopy results for Cu cluster assembly on silica show isolated irregularly shaped clusters that do not interact at low coverage. Sintering and labyrinth formation is observed at intermediate coverage and, ultimately, a continuous film is achieved at high coverage. Silica surface wetting by Cu clusters demonstrates that dispersive force are important for these small clusters

  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 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...... 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...

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

    International Nuclear Information System (INIS)

    Pangpaiboon, Nampueng; Traiphol, Nisanart; Promarak, Vinich; Traiphol, Rakchart

    2013-01-01

    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

  6. 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.

  7. 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.

  8. 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.

  9. Dark matter phenomenology of high-speed galaxy cluster collisions

    Energy Technology Data Exchange (ETDEWEB)

    Mishchenko, Yuriy [Izmir University of Economics, Faculty of Engineering, Izmir (Turkey); Ji, Chueng-Ryong [North Carolina State University, Department of Physics, Raleigh, NC (United States)

    2017-08-15

    We perform a general computational analysis of possible post-collision mass distributions in high-speed galaxy cluster collisions in the presence of self-interacting dark matter. Using this analysis, we show that astrophysically weakly self-interacting dark matter can impart subtle yet measurable features in the mass distributions of colliding galaxy clusters even without significant disruptions to the dark matter halos of the colliding galaxy clusters themselves. Most profound such evidence is found to reside in the tails of dark matter halos' distributions, in the space between the colliding galaxy clusters. Such features appear in our simulations as shells of scattered dark matter expanding in alignment with the outgoing original galaxy clusters, contributing significant densities to projected mass distributions at large distances from collision centers and large scattering angles of up to 90 {sup circle}. Our simulations indicate that as much as 20% of the total collision's mass may be deposited into such structures without noticeable disruptions to the main galaxy clusters. Such structures at large scattering angles are forbidden in purely gravitational high-speed galaxy cluster collisions. Convincing identification of such structures in real colliding galaxy clusters would be a clear indication of the self-interacting nature of dark matter. Our findings may offer an explanation for the ring-like dark matter feature recently identified in the long-range reconstructions of the mass distribution of the colliding galaxy cluster CL0024+017. (orig.)

  10. Dark matter phenomenology of high-speed galaxy cluster collisions

    International Nuclear Information System (INIS)

    Mishchenko, Yuriy; Ji, Chueng-Ryong

    2017-01-01

    We perform a general computational analysis of possible post-collision mass distributions in high-speed galaxy cluster collisions in the presence of self-interacting dark matter. Using this analysis, we show that astrophysically weakly self-interacting dark matter can impart subtle yet measurable features in the mass distributions of colliding galaxy clusters even without significant disruptions to the dark matter halos of the colliding galaxy clusters themselves. Most profound such evidence is found to reside in the tails of dark matter halos' distributions, in the space between the colliding galaxy clusters. Such features appear in our simulations as shells of scattered dark matter expanding in alignment with the outgoing original galaxy clusters, contributing significant densities to projected mass distributions at large distances from collision centers and large scattering angles of up to 90 "c"i"r"c"l"e. Our simulations indicate that as much as 20% of the total collision's mass may be deposited into such structures without noticeable disruptions to the main galaxy clusters. Such structures at large scattering angles are forbidden in purely gravitational high-speed galaxy cluster collisions. Convincing identification of such structures in real colliding galaxy clusters would be a clear indication of the self-interacting nature of dark matter. Our findings may offer an explanation for the ring-like dark matter feature recently identified in the long-range reconstructions of the mass distribution of the colliding galaxy cluster CL0024+017. (orig.)

  11. Structure-related clustering of gene expression fingerprints of thp-1 cells exposed to smaller polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Wan, B; Yarbrough, J W; Schultz, T W

    2008-01-01

    This study was undertaken to test the hypothesis that structurally similar PAHs induce similar gene expression profiles. THP-1 cells were exposed to a series of 12 selected PAHs at 50 microM for 24 hours and gene expressions profiles were analyzed using both unsupervised and supervised methods. Clustering analysis of gene expression profiles revealed that the 12 tested chemicals were grouped into five clusters. Within each cluster, the gene expression profiles are more similar to each other than to the ones outside the cluster. One-methylanthracene and 1-methylfluorene were found to have the most similar profiles; dibenzothiophene and dibenzofuran were found to share common profiles with fluorine. As expression pattern comparisons were expanded, similarity in genomic fingerprint dropped off dramatically. Prediction analysis of microarrays (PAM) based on the clustering pattern generated 49 predictor genes that can be used for sample discrimination. Moreover, a significant analysis of Microarrays (SAM) identified 598 genes being modulated by tested chemicals with a variety of biological processes, such as cell cycle, metabolism, and protein binding and KEGG pathways being significantly (p < 0.05) affected. It is feasible to distinguish structurally different PAHs based on their genomic fingerprints, which are mechanism based.

  12. Iptycene-based stationary phase with three-dimensional aromatic structure for highly selective separation of H-bonding analytes and aromatic isomers.

    Science.gov (United States)

    Yang, Xiaohong; Han, Ying; Qi, Meiling; Chen, Chuanfeng

    2016-05-06

    Unique structures and molecular recognition ability endow iptycene derivatives with great potential as stationary phases in chromatography, which, however, has not been explored yet. Herein, we report the first example of utilizing a pentiptycene quinone (PQ) for gas chromatographic (GC) separations. Remarkably, the statically coated capillary column with the stationary phase achieved extremely high column efficiency of 4800 plates/m. It exhibited preferential retention and high resolving capability for H-bonding and aromatic analytes and positional isomers, showing advantages over the ordinary polysiloxane phase. Moreover, the fabricated iptycene column showed excellent separation repeatability with RSD values of 0.02-0.06% for intra-day, 0.20-0.35% for inter-day and 3.1-5.5% for between-column, respectively. In conclusion, iptycene derivatives as a new class of stationary phases show promising future for their use in GC separations. Copyright © 2016 Elsevier B.V. All rights reserved.

  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. Crosslinked wholly aromatic polyether membranes based on quinoline derivatives and their application in high temperature polymer electrolyte membrane fuel cells

    Science.gov (United States)

    Kallitsis, K. J.; Nannou, R.; Andreopoulou, A. K.; Daletou, M. K.; Papaioannou, D.; Neophytides, S. G.; Kallitsis, J. K.

    2018-03-01

    An AB type difunctional quinoline based monomer bearing a pentafluorophenyl unit combined with a phenol functionality is being synthesized and homopolymerized to create linear aromatic polyethers as polymer electrolytes for HT-PEM FCs applications. Several conditions are tested for the optimized synthesis of the monomer and homopolymer. Additionally, covalent crosslinking through aromatic polyether bond formation enables the creation of wholly aromatic crosslinked polymeric electrolyte membranes. More specifically, the perfluorophenyl units are crosslinked with other hydroxyl end functionalized moieties, providing membranes with enhanced chemical and mechanical properties that are moreover easily doped with phosphoric acid even at ambient temperatures. All membranes are evaluated for their structural and thermal characteristics and their doping ability with phosphoric acid. Selected crosslinked membranes are further tested in terms of their single cell performance at the temperature range 160 °C-200 °C showing promising performance and high conductivity values even up to 0.2 S cm-1 in some cases.

  15. 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.

  16. In situ high temperature MAS NMR study of the mechanisms of catalysis. Ethane aromatization on Zn-modified zeolite BEA.

    Science.gov (United States)

    Arzumanov, Sergei S; Gabrienko, Anton A; Freude, Dieter; Stepanov, Alexander G

    2009-04-01

    Ethane conversion into aromatic hydrocarbons over Zn-modified zeolite BEA has been analyzed by high-temperature MAS NMR spectroscopy. Information about intermediates (Zn-ethyl species) and reaction products (mainly toluene and methane), which were formed under the conditions of a batch reactor, was obtained by (13)C MAS NMR. Kinetics of the reaction, which was monitored by (1)H MAS NMR in situ at the temperature of 573K, provided information about the reaction mechanism. Simulation of the experimental kinetics within the frames of the possible kinetic schemes of the reaction demonstrates that a large amount of methane evolved under ethane aromatization arises from the stage of direct ethane hydrogenolysis.

  17. Benzoate-Induced High-Nuclearity Silver Thiolate Clusters.

    Science.gov (United States)

    Su, Yan-Min; Liu, Wei; Wang, Zhi; Wang, Shu-Ao; Li, Yan-An; Yu, Fei; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di

    2018-04-03

    Compared with the well-known anion-templated effects in shaping silver thiolate clusters, the influence from the organic ligands in the outer shell is still poorly understood. Herein, three new benzoate-functionalized high-nuclearity silver(I) thiolate clusters are isolated and characterized for the first time in the presence of diverse anion templates such as S 2- , α-[Mo 5 O 18 ] 6- , and MoO 4 2- . Single-crystal X-ray analysis reveals that the nuclearities of the three silver clusters (SD/Ag28, SD/Ag29, SD/Ag30) vary from 32 to 38 to 78 with co-capped tBuS - and benzoate ligands on the surface. SD/Ag28 is a turtle-like cluster comprising a Ag 29 shell caging a Ag 3 S 3 trigon in the center, whereas SD/Ag29 is a prolate Ag 38 sphere templated by the α-[Mo 5 O 18 ] 6- anion. Upon changing from benzoate to methoxyl-substituted benzoate, SD/Ag30 is isolated as a very complicated core-shell spherical cluster composed of a Ag 57 shell and a vase-like Ag 21 S 13 core. Four MoO 4 2- anions are arranged in a supertetrahedron and located in the interstice between the core and shell. Introduction of the bulky benzoate changes elaborately the nuclearity and arrangements of silver polygons on the shell of silver clusters, which is exemplified by comparing SD/Ag28 and a known similar silver thiolate cluster. The three new clusters emit luminescence in the near-infrared (NIR) region and show different thermochromic luminescence properties. This work presents a flexible approach to synthetic studies of high-nuclearity silver clusters decorated by different benzoates, and structural modulations are also achieved. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Gas expulsion in highly substructured embedded star clusters

    Science.gov (United States)

    Farias, J. P.; Fellhauer, M.; Smith, R.; Domínguez, R.; Dabringhausen, J.

    2018-06-01

    We investigate the response of initially substructured, young, embedded star clusters to instantaneous gas expulsion of their natal gas. We introduce primordial substructure to the stars and the gas by simplistically modelling the star formation process so as to obtain a variety of substructure distributed within our modelled star-forming regions. We show that, by measuring the virial ratio of the stars alone (disregarding the gas completely), we can estimate how much mass a star cluster will retain after gas expulsion to within 10 per cent accuracy, no matter how complex the background structure of the gas is, and we present a simple analytical recipe describing this behaviour. We show that the evolution of the star cluster while still embedded in the natal gas, and the behaviour of the gas before being expelled, is crucial process that affect the time-scale on which the cluster can evolve into a virialized spherical system. Embedded star clusters that have high levels of substructure are subvirial for longer times, enabling them to survive gas expulsion better than a virialized and spherical system. By using a more realistic treatment for the background gas than our previous studies, we find it very difficult to destroy the young clusters with instantaneous gas expulsion. We conclude that gas removal may not be the main culprit for the dissolution of young star clusters.

  19. Towards Urban High-technolgy Clusters: An International Comparison

    Directory of Open Access Journals (Sweden)

    Júlia Bosch

    2012-01-01

    Full Text Available This paper presents the results of a comparative study of 23 urban or regional high-technology clusters (media, ICT, energy, biotechnology all over the world, analyzing how they were created, how they are managed and how they operate, and the strategies followed to improve and excel in their fields of action. Special attention is given to issues related to descriptive aspects, R&D, performance of the clusters, location factors and incentives to attract companies. The empirical analysis applied to the identified clusters was done through a questionnaire sent to the representatives of the cluster’s management. When analyzing the data, the study has combined quantitative and qualitative methods, depending on the information to be processed. The data collection was done through a selection of indicators chosen in order to cover the different elements that cluster literature coincide in consider essential to develop a competitive economic cluster in urban regions. The main obstacle we find with the information available to carry out this study has been its heterogeneity and different quality of the data. 22@Barcelona appears to be in a good position to compete with other excelling clusters, but it still needs to improve in areas such as financial supply for R&D and start-ups and coordination between the different actors involved in urban economic development. Our research also contributes to the discussion on the role of public institutions in the cluster development policies. In the clusters studied here, especially in Barcelona, we have seen that a capable and resourceful public administration can determine the success of the cluster initiative.

  20. Aromaticity of benzene in condensed phases. A case of a benzene-water system

    Science.gov (United States)

    Zborowski, Krzysztof K.

    2014-05-01

    A theoretical Density Functional Theory study was performed for a benzene molecule in water cages. Two DFT functionals (B3LYP and BLYP) were employed. The optimized geometries of the studied clusters were used to calculate the aromaticity of benzene in a condensed phase using the aromaticity indices: HOMA, NICS, PDI, and H. The results were compared with aromaticity of a single benzene molecule in the gas phase and in the solvent environment provided by the PCM continuum model. It is argued that high aromaticity of benzene in the gas phase is retained in the water environment.

  1. High-dimensional cluster analysis with the Masked EM Algorithm

    Science.gov (United States)

    Kadir, Shabnam N.; Goodman, Dan F. M.; Harris, Kenneth D.

    2014-01-01

    Cluster analysis faces two problems in high dimensions: first, the “curse of dimensionality” that can lead to overfitting and poor generalization performance; and second, the sheer time taken for conventional algorithms to process large amounts of high-dimensional data. We describe a solution to these problems, designed for the application of “spike sorting” for next-generation high channel-count neural probes. In this problem, only a small subset of features provide information about the cluster member-ship of any one data vector, but this informative feature subset is not the same for all data points, rendering classical feature selection ineffective. We introduce a “Masked EM” algorithm that allows accurate and time-efficient clustering of up to millions of points in thousands of dimensions. We demonstrate its applicability to synthetic data, and to real-world high-channel-count spike sorting data. PMID:25149694

  2. Cluster-based DBMS Management Tool with High-Availability

    Directory of Open Access Journals (Sweden)

    Jae-Woo Chang

    2005-02-01

    Full Text Available A management tool which is needed for monitoring and managing cluster-based DBMSs has been little studied. So, we design and implement a cluster-based DBMS management tool with high-availability that monitors the status of nodes in a cluster system as well as the status of DBMS instances in a node. The tool enables users to recognize a single virtual system image and provides them with the status of all the nodes and resources in the system by using a graphic user interface (GUI. By using a load balancer, our management tool can increase the performance of a cluster-based DBMS as well as can overcome the limitation of the existing parallel DBMSs.

  3. Designing a High Performance Parallel Personal Cluster

    OpenAIRE

    Kapanova, K. G.; Sellier, J. M.

    2016-01-01

    Today, many scientific and engineering areas require high performance computing to perform computationally intensive experiments. For example, many advances in transport phenomena, thermodynamics, material properties, computational chemistry and physics are possible only because of the availability of such large scale computing infrastructures. Yet many challenges are still open. The cost of energy consumption, cooling, competition for resources have been some of the reasons why the scientifi...

  4. Nature of Bonding in Bowl-Like B36 Cluster Revisited: Concentric (6π+18π) Double Aromaticity and Reason for the Preference of a Hexagonal Hole in a Central Location.

    Science.gov (United States)

    Li, Rui; You, Xue-Rui; Wang, Kang; Zhai, Hua-Jin

    2018-05-04

    The bowl-shaped C 6v B 36 cluster with a central hexagon hole is considered an ideal molecular model for low-dimensional boron-based nanosystems. Owing to the electron deficiency of boron, chemical bonding in the B 36 cluster is intriguing, complicated, and has remained elusive despite a couple of papers in the literature. Herein, a bonding analysis is given through canonical molecular orbitals (CMOs) and adaptive natural density partitioning (AdNDP), further aided by natural bond orbital (NBO) analysis and orbital composition calculations. The concerted computational data establish the idea of concentric double π aromaticity for the B 36 cluster, with inner 6π and outer 18π electron counting, which both conform to the (4n+2) Hückel rule. The updated bonding picture differs from existing knowledge of the system. A refined bonding model is also proposed for coronene, of which the B 36 cluster is an inorganic analogue. It is further shown that concentric double π aromaticity in the B 36 cluster is retained and spatially fixed, irrespective of the migration of the hexagonal hole; the latter process changes the system energetically. The hexagonal hole is a destabilizing factor for σ/π CMOs. The central hexagon hole affects substantially fewer CMOs, thus making the bowl-shaped C 6v B 36 cluster the global minimum. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    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

  6. Highly efficient blue OLEDs based on diphenylaminofluorenylstyrenes end-capped with heterocyclic aromatics

    Energy Technology Data Exchange (ETDEWEB)

    Oh, Suhyun [Department of Chemistry, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Lee, Kum Hee; Kim, Young Kwan [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of); Yoon, Seung Soo, E-mail: ssyoon@skku.edu [Department of Chemistry, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2012-10-15

    In this paper, we have designed four diphenylaminofluorenylstyrene derivatives end-capped with heterocyclic aromatic groups, such as 9-phenylcabazole, 4-dibenzofuran, 2-benzoxazole, 2-quinoxaline, respectively. These materials showed blue to red fluorescence with maximum emission wavelengths of 476–611 nm, respectively, which were dependent on the structural and electronic nature of end-capping groups. To explore the electroluminescent properties of these materials, multilayer OLEDs were fabricated in the following sequence: ITO/DNTPD (40 nm)/NPB (20 nm)/2% doped in MADN (20 nm)/Alq{sub 3} (40 nm)/Liq. (1 nm)/Al. Among those, a device exhibited a highly efficient blue emission with the maximum luminance of 14,480 cd/m{sup 2} at 9 V, the luminous efficiency of 5.38 cd/A at 20 mA/cm{sup 2}, power efficiency of 2.77 lm/W at 20 mA/cm{sup 2}, and CIE{sub x,y} coordinates of (0.147, 0.152) at 8 V, respectively.

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

    Science.gov (United States)

    Bilić, A; Sanvito, S

    2013-07-10

    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.

  8. High-resolution record of pyrogenic polycyclic aromatic hydrocarbon deposition during the 20th century.

    Science.gov (United States)

    Lima, Ana Lúcia C; Eglinton, Timothy I; Reddy, Christopher M

    2003-01-01

    A high-resolution record of polycyclic aromatic hydrocarbon (PAH) deposition in Rhode Island over the past approximately 180 years was constructed using a sediment core from the anoxic Pettaquamscutt River basin. The record showed significantly more structure than has hitherto been reported and revealed four distinct maxima in PAH flux. The characteristic increase in PAH flux at the turn of the 20th century was captured in detail, leading to an initial maximum prior to the Great Depression. The overall peak in PAH flux in the 1950s was followed by a maximum that immediately preceded the 1973 Organization of Petroleum Exporting Countries (OPEC) oil embargo. During the most recent portion of the record, an abrupt increase in PAH flux between 1996 and 1999 has been found to follow a period of near constant fluxes. Because source-diagnostic ratios indicate that petrogenic inputs are minor throughout the record, these trends are interpreted in terms of past variations in the magnitude and type of combustion processes. For the most recent PAH maximum, energy consumption data suggest that diesel fuel combustion, and hence traffic of heavier vehicles, is the most probable cause for the increase in PAH flux. Systematic variations in the relative abundance of individual PAHs in conjunction with the above changes in flux are interpreted in relation to the evolution of combustion processes. Coronene, retene, and perylene are notable exceptions, exhibiting unique down-core profiles.

  9. 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.

  10. 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)

  11. A hybridized K-means clustering approach for high dimensional ...

    African Journals Online (AJOL)

    International Journal of Engineering, Science and Technology ... Due to incredible growth of high dimensional dataset, conventional data base querying methods are inadequate to extract useful information, so researchers nowadays ... Recently cluster analysis is a popularly used data analysis method in number of areas.

  12. High-mass stars in Milky Way clusters

    Science.gov (United States)

    Negueruela, Ignacio

    2017-11-01

    Young open clusters are our laboratories for studying high-mass star formation and evolution. Unfortunately, the information that they provide is difficult to interpret, and sometimes contradictory. In this contribution, I present a few examples of the uncertainties that we face when confronting observations with theoretical models and our own assumptions.

  13. Electron acceleration via high contrast laser interacting with submicron clusters

    International Nuclear Information System (INIS)

    Zhang Lu; Chen Liming; Wang Weiming; Yan Wenchao; Yuan Dawei; Mao Jingyi; Wang Zhaohua; Liu Cheng; Shen Zhongwei; Li Yutong; Dong Quanli; Lu Xin; Ma Jinglong; Wei Zhiyi; Faenov, Anatoly; Pikuz, Tatiana; Li Dazhang; Sheng Zhengming; Zhang Jie

    2012-01-01

    We experimentally investigated electron acceleration from submicron size argon clusters-gas target irradiated by a 100 fs, 10 TW laser pulses having a high-contrast. Electron beams are observed in the longitudinal and transverse directions to the laser propagation. The measured energy of the longitudinal electron reaches 600 MeV and the charge of the electron beam in the transverse direction is more than 3 nC. A two-dimensional particle-in-cell simulation of the interaction has been performed and it shows an enhancement of electron charge by using the cluster-gas target.

  14. Nanostructure of highly aromatic graphene nanosheets -- From optoelectronics to electrochemical energy storage applications

    Science.gov (United States)

    Biswas, Sanjib

    The exceptional electrical properties along with intriguing physical and chemical aspects of graphene nanosheets can only be realized by nanostructuring these materials through the homogeneous and orderly distribution of these nanosheets without compromising the aromaticity of the native basal plane. Graphene nanosheets prepared by direct exfoliation as opposed to the graphene oxide route are necessary in order to preserve the native chemical properties of graphene basal planes. This research has been directed at optimally combining the diverse physical and chemical aspects of graphene nanosheets such as particle size, surface area and edge chemistry to fabricate nanostructured architectures for optoelectronics and high power electrochemical energy storage applications. In the first nanostructuring effort, a monolayer of these ultrathin, highly hydrophobic graphene nanosheets was prepared on a large area substrate via self-assembly at the liquid-liquid interface. Driven by the minimization of interfacial energy these planar graphene nanosheets produce a close packed monolayer structure at the liquid-liquid interface. The resulting monolayer film exhibits high electrical conductivity of more than 1000 S/cm and an optical transmission of more than 70-80% between wavelengths of 550 nm and 2000 nm making it an ideal candidate for optoelectronic applications. In the second part of this research, nanostructuring was used to create a configuration suitable for supercapacitor applications. A free standing, 100% binder free multilayer, flexible film consisting of monolayers of graphene nanosheets was prepared by utilizing the van der Waals forces of attraction between the basal plans of the graphene nanosheets coupled with capillary driven and drying-induced collapse. A major benefit in this approach is that the graphene nanosheet's attractive physical and chemical characteristics can be synthesized into an architecture consisting of large and small nanosheets to create an

  15. HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS IN THE 3 μ m REGION: ROLE OF PERIPHERY

    Energy Technology Data Exchange (ETDEWEB)

    Maltseva, Elena; Petrignani, Annemieke; Buma, Wybren Jan [University of Amsterdam, Science Park 904, 1098 XH Amsterdam (Netherlands); Candian, Alessandra; Mackie, Cameron J.; Tielens, Alexander G. G. M. [Leiden Observatory, Niels Bohrweg 2, 2333 CA Leiden (Netherlands); Huang, Xinchuan [SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Lee, Timothy J. [NASA Ames Research Center, Moffett Field, California 94035-1000 (United States); Oomens, Jos, E-mail: w.j.buma@uva.nl [Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands)

    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 μ m 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{sup −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 μ 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 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 μ m band, and on features such as the two-component emission character of this band and the 3 μ m emission plateau.

  16. 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.

  17. Implications of multiple high-redshift galaxy clusters

    International Nuclear Information System (INIS)

    Hoyle, Ben; Jimenez, Raul; Verde, Licia

    2011-01-01

    To date, 14 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 Λ cold dark matter (ΛCDM) 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 ΛCDM model and the observed ones. We alleviate the tension, considering non-Gaussian primordial perturbations of the local type, characterized by the parameter f NL , and derive constraints on f NL arising from the mere existence of these clusters. At the 95% confidence level, f NL >467, with cosmological parameters fixed to their most likely WMAP5 values, or f NL > or approx. 123 (at 95% confidence) if we marginalize over prior WMAP5 parameters. In combination with f NL constraints from cosmic microwave background and halo bias, this determination implies a scale dependence of f NL at ≅3σ. Given the assumptions made in the analysis, we expect any future improvements to the modeling of the non-Gaussian mass function, survey volumes, or selection functions to increase the significance of f NL >0 found here. In order to reconcile these massive, high-z clusters with f NL =0, their masses would need to be systematically lowered by 1.5σ, or the σ 8 parameter should be ∼3σ higher than cosmic microwave background (and large-scale structure) constraints. The existence of these objects is a puzzle: it either represents a challenge to the ΛCDM paradigm or it is an indication that the mass estimates of clusters are dramatically more uncertain than we think.

  18. 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...

  19. Extreme halophilic alcohol dehydrogenase mediated highly efficient syntheses of enantiopure aromatic alcohols.

    Science.gov (United States)

    Alsafadi, Diya; Alsalman, Safaa; Paradisi, Francesca

    2017-11-07

    Enzymatic synthesis of enantiopure aromatic secondary alcohols (including substituted, hetero-aromatic and bicyclic structures) was carried out using halophilic alcohol dehydrogenase ADH2 from Haloferax volcanii (HvADH2). This enzyme showed an unprecedented substrate scope and absolute enatioselectivity. The cofactor NADPH was used catalytically and regenerated in situ by the biocatalyst, in the presence of 5% ethanol. The efficiency of HvADH2 for the conversion of aromatic ketones was markedly influenced by the steric and electronic factors as well as the solubility of ketones in the reaction medium. Furthermore, carbonyl stretching band frequencies ν (C[double bond, length as m-dash]O) have been measured for different ketones to understand the effect of electron withdrawing or donating properties of the ketone substituents on the reaction rate catalyzed by HvADH2. Good correlation was observed between ν (C[double bond, length as m-dash]O) of methyl aryl-ketones and the reaction rate catalyzed by HvADH2. The enzyme catalyzed the reductions of ketone substrates on the preparative scale, demonstrating that HvADH2 would be a valuable biocatalyst for the preparation of chiral aromatic alcohols of pharmaceutical interest.

  20. High-resolution gas chromatographic analysis of polycyclic aromatic hydrocarbons and aliphatic hydrocarbons

    International Nuclear Information System (INIS)

    Perez, M.; Gonzalez, D.

    1988-01-01

    A study of the analysis by gas chromatography of aromatic polycyclic hydrocarbons and aliphatic hydrocarbons is presented. The separation has been carried out by glass and fused silica capillary column in two different polar stationary phases OV-1 and SE-54. The limitation and the advantages of the procedure are discussed in terms of separation, sensitivity and precision. (Author) 20 refs

  1. 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.

  2. 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.

  3. High intensive short laser pulse interaction with submicron clusters media

    International Nuclear Information System (INIS)

    Faenov, A. Ya

    2008-01-01

    The interaction of short intense laser pulses with structured targets, such as clusters, exhibits unique features, stemming from the enhanced absorption of the incident laser light compared to solid targets. Due to the increased absorption, these targets are heated significantly, leading to enhanced emission of x rays in the keV range and generation of electrons and multiple charged ions with kinetic energies from tens of keV to tens of MeV. Possible applications of these targets can be an electron/ion source for a table top accelerator, a neutron source for a material damage study, or an x ray source for microscopy or lithography. The overview of recent results, obtained by the high intensive short laser pulse interaction with different submicron clusters media will be presented. High resolution K and L shell spectra of plasma generated by superintense laser irradiation of micron sized Ar, Kr and Xe clusters have been measured with intensity 10"17"-10"19"W/cm"2"and a pulse duration of 30-1000fs. It is found that hot electrons produced by high contrast laser pulses allow the isochoric heating of clusters and shift the ion balance toward the higher charge states, which enhances both the X ray line yield and the ion kinetic energy. Irradiation of clusters, produced from such gas mixture, by a fs Ti:Sa laser pulses allows to enhance the soft X ray radiation of Heβ(665.7eV)and Lyα(653.7eV)of Oxygen in 2-8 times compare with the case of using as targets pure CO"2"or N"2"O clusters and reach values 2.8x10"10"(∼3μJ)and 2.7x10"10"(∼2.9μJ)ph/(sr·pulse), respectively. Nanostructure conventional soft X ray images of 100nm thick Mo and Zr foils in a wide field of view (cm"2"scale)with high spatial resolution (700nm)are obtained using the LiF crystals as soft X ray imaging detectors. When the target used for the ion acceleration studies consists of solid density clusters embedded into the background gas, its irradiation by high intensity laser light makes the target

  4. 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.

  5. Symptom clusters in patients with high-grade glioma.

    Science.gov (United States)

    Fox, Sherry W; Lyon, Debra; Farace, Elana

    2007-01-01

    To describe the co-occurring symptoms (depression, fatigue, pain, sleep disturbance, and cognitive impairment), quality of life (QoL), and functional status in patients with high-grade glioma. Correlational, descriptive study of 73 participants with high-grade glioma in the U.S. Nine brief measures were obtained with a mailed survey. Participants were recruited from the online message board of The Healing Exchange BRAIN TRUST, a nonprofit organization dedicated to improving quality of life for people with brain tumors. Two symptom cluster models were examined. Four co-occurring symptoms were significantly correlated with each other and explained 29% of the variance in QoL: depression, fatigue, sleep disturbance, and cognitive impairment. Depression, fatigue, sleep disturbance, cognitive impairment, and pain were significantly correlated with each other and explained 62% of the variance in functional status. The interrelationships of the symptoms examined in this study and their relationships with QoL and functional status meet the criteria for defining a symptom cluster. The differences in the models of QoL and functional status indicates that symptom clusters may have unique characteristics in patients with gliomas.

  6. Cluster-cluster clustering

    International Nuclear Information System (INIS)

    Barnes, J.; Dekel, A.; Efstathiou, G.; Frenk, C.S.; Yale Univ., New Haven, CT; California Univ., Santa Barbara; Cambridge Univ., England; Sussex Univ., Brighton, England)

    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. 30 references

  7. clusters

    Indian Academy of Sciences (India)

    2017-09-27

    Sep 27, 2017 ... Author for correspondence (zh4403701@126.com). MS received 15 ... lic clusters using density functional theory (DFT)-GGA of the DMOL3 package. ... In the process of geometric optimization, con- vergence thresholds ..... and Postgraduate Research & Practice Innovation Program of. Jiangsu Province ...

  8. clusters

    Indian Academy of Sciences (India)

    environmental as well as technical problems during fuel gas utilization. ... adsorption on some alloys of Pd, namely PdAu, PdAg ... ried out on small neutral and charged Au24,26,27, Cu,28 ... study of Zanti et al.29 on Pdn (n = 1–9) clusters.

  9. Mesophase Formation Stabilizes High-purity Magic-sized Clusters

    KAUST Repository

    Nevers, Douglas R.; Williamson, Curtis B.; Savitzky, Benjamin H; Hadar, Ido; Banin, Uri; Kourkoutis, Lena F.; Hanrath, Tobias; Robinson, Richard D.

    2018-01-01

    Magic-sized clusters (MSCs) are renowned for their identical size and closed-shell stability that inhibit conventional nanoparticle (NP) growth processes. Though MSCs have been of increasing interest, understanding the reaction pathways toward their nucleation and stabilization is an outstanding issue. In this work, we demonstrate that high concentration synthesis (1000 mM) promotes a well-defined reaction pathway to form high-purity MSCs (>99.9%). The MSCs are resistant to typical growth and dissolution processes. Based on insights from in-situ X-ray scattering analysis, we attribute this stability to the accompanying production of a large, hexagonal organic-inorganic mesophase (>100 nm grain size) that arrests growth of the MSCs and prevents NP growth. At intermediate concentrations (500 mM), the MSC mesophase forms, but is unstable, resulting in NP growth at the expense of the assemblies. These results provide an alternate explanation for the high stability of MSCs. Whereas the conventional mantra has been that the stability of MSCs derives from the precise arrangement of the inorganic structures (i.e., closed-shell atomic packing), we demonstrate that anisotropic clusters can also be stabilized by self-forming fibrous mesophase assemblies. At lower concentration (<200 mM or >16 acid-to-metal), MSCs are further destabilized and NPs formation dominates that of MSCs. Overall, the high concentration approach intensifies and showcases inherent concentration-dependent surfactant phase behavior that is not accessible in conventional (i.e., dilute) conditions. This work provides not only a robust method to synthesize, stabilize, and study identical MSC products, but also uncovers an underappreciated stabilizing interaction between surfactants and clusters.

  10. Mesophase Formation Stabilizes High-purity Magic-sized Clusters

    KAUST Repository

    Nevers, Douglas R.

    2018-01-27

    Magic-sized clusters (MSCs) are renowned for their identical size and closed-shell stability that inhibit conventional nanoparticle (NP) growth processes. Though MSCs have been of increasing interest, understanding the reaction pathways toward their nucleation and stabilization is an outstanding issue. In this work, we demonstrate that high concentration synthesis (1000 mM) promotes a well-defined reaction pathway to form high-purity MSCs (>99.9%). The MSCs are resistant to typical growth and dissolution processes. Based on insights from in-situ X-ray scattering analysis, we attribute this stability to the accompanying production of a large, hexagonal organic-inorganic mesophase (>100 nm grain size) that arrests growth of the MSCs and prevents NP growth. At intermediate concentrations (500 mM), the MSC mesophase forms, but is unstable, resulting in NP growth at the expense of the assemblies. These results provide an alternate explanation for the high stability of MSCs. Whereas the conventional mantra has been that the stability of MSCs derives from the precise arrangement of the inorganic structures (i.e., closed-shell atomic packing), we demonstrate that anisotropic clusters can also be stabilized by self-forming fibrous mesophase assemblies. At lower concentration (<200 mM or >16 acid-to-metal), MSCs are further destabilized and NPs formation dominates that of MSCs. Overall, the high concentration approach intensifies and showcases inherent concentration-dependent surfactant phase behavior that is not accessible in conventional (i.e., dilute) conditions. This work provides not only a robust method to synthesize, stabilize, and study identical MSC products, but also uncovers an underappreciated stabilizing interaction between surfactants and clusters.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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 α m ), 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. - Highlights: • Adsorption of organic chemicals on biochars are captured by pore filling mechanism. • Adsorption is derived from Van der Waals force, π-π EDA and H-bonding interactions. • Adsorption capacity is negatively correlated with organic molecular sizes/melting points. • Adsorption capacity is restricted by molecular sieving effect and packing efficiency. • Adsorption affinity has a LSER with chemical

  12. Solvation of carbonaceous molecules by para-H{sub 2} and ortho-D{sub 2} clusters. I. Polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Calvo, F., E-mail: florent.calvo@univ-grenoble-alpes.fr [Univ. Grenoble Alpes, LIPHY, F-38000 Grenoble, France and CNRS, LIPHY, F-38000 Grenoble (France); Yurtsever, E. [Koç University, Rumelifeneriyolu, Sariyer, Istanbul 34450 (Turkey)

    2016-06-14

    This work theoretically examines the progressive coating of planar polycyclic aromatic hydrocarbon (PAH) molecules ranging from benzene to circumcoronene (C{sub 54}H{sub 18}) by para-hydrogen and ortho-deuterium. The coarse-grained Silvera-Goldman potential has been extended to model the interactions between hydrogen molecules and individual atoms of the PAH and parametrized against quantum chemical calculations for benzene-H{sub 2}. Path-integral molecular dynamics simulations at 2 K were performed for increasingly large amounts of hydrogen coating the PAH up to the first solvation shell and beyond. From the simulations, various properties were determined such as the size of the first shell and its thickness as well as the solvation energy. The degree of delocalization was notably quantified from an energy landscape perspective, by monitoring the fluctuations among inherent structures sampled by the trajectories. Our results generally demonstrate a high degree of localization owing to relatively strong interactions between hydrogen and the PAH, and qualitatively minor isotopic effects. In the limit of large hydrogen amounts, the shell size and solvation energy both follow approximate linear relations with the numbers of carbon and hydrogen in the PAH.

  13. 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.

  14. 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.

  15. 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.

  16. The determination of polycyclic aromatic hydrocarbons in human urine by high-resolution gas chromatography-mass spectrometry.

    Science.gov (United States)

    Cho, Sung-Hee; Lee, Sun-Kyung; Kim, Chong Hyeak

    2018-05-01

    Polycyclic aromatic hydrocarbons (PAHs), organic compounds formed by at least two condensed aromatic rings, are ubiquitous environmental pollutants that are produced by incomplete combustion of organic materials. PAHs have been classified as carcinogenIC to humans by the International Agency for Research on Cancer, because they can bind to DNA, causing mutations. Therefore, the levels of PAHs in human urine can be used as an indicator for potential carcinogenesis and cell mutation. An analytical method was developed for the accurate measurement of PAHs in urine using high-resolution gas chromatography-mass spectrometry. Urine samples were extracted by an Oasis HLB extraction cartridge after enzymatic hydrolysis with a β-glucuronidase/arylsulfatase cocktail. The 18 PAHs were separated using an Agilent DB-5 MS capillary column (30 m × 0.25 mm, 0.25 μm) and monitored by time-of-flight mass spectrometry. Under the optimized method, the linearity of calibration curves was >0.994. The limits of detection at a signal-to-noise ratio of 3 were 10-100 ng/L. The coefficients of variation were in the range of 0.4-9.0%. The present method was highly accurate for simultaneous determination of 18 PAHs in human urine and could be applied to monitoring and biomedical investigations to check exposure of PAHs. Copyright © 2017 John Wiley & Sons, Ltd.

  17. High resolution photoelectron spectroscopy of clusters of Group V elements

    International Nuclear Information System (INIS)

    Wang, Lai-sheng; Niu, B.; Lee, Y.T.; Shirley, D.A.

    1989-07-01

    High resolution HeI (580 angstrom) photoelectron spectra of As 2 , As 4 , and P 4 were obtained with a newly-built high temperature molecular beam source. Vibrational structure was resolved in the photoelectron spectra of the three cluster species. The Jahn-Teller effect is discussed for the 2 E and 2 T 2 states of P 4 + and As 4 + . As a result of the Jahn-Teller effect, the 2 E state splits into two bands, and the 2 T 2 state splits into three bands, in combination with the spin-orbit effect. It was observed that the ν 2 normal vibrational mode was involved in the vibronic interaction of the 2 E state, while both the ν 2 and ν 3 modes were active in the 2 T 2 state. 26 refs., 5 figs., 3 tabs

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

    International Nuclear Information System (INIS)

    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

  19. 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.

  20. Relics in galaxy clusters at high radio frequencies

    Science.gov (United States)

    Kierdorf, M.; Beck, R.; Hoeft, M.; Klein, U.; van Weeren, R. J.; Forman, W. R.; Jones, C.

    2017-04-01

    Aims: We investigated the magnetic properties of radio relics located at the peripheries of galaxy clusters at high radio frequencies, where the emission is expected to be free of Faraday depolarization. The degree of polarization is a measure of the magnetic field compression and, hence, the Mach number. Polarization observations can also be used to confirm relic candidates. Methods: We observed three radio relics in galaxy clusters and one radio relic candidate at 4.85 and 8.35 GHz in total emission and linearly polarized emission with the Effelsberg 100-m telescope. In addition, we observed one radio relic candidate in X-rays with the Chandra telescope. We derived maps of polarization angle, polarization degree, and Faraday rotation measures. Results: The radio spectra of the integrated emission below 8.35 GHz can be well fitted by single power laws for all four relics. The flat spectra (spectral indices of 0.9 and 1.0) for the so-called Sausage relic in cluster CIZA J2242+53 and the so-called Toothbrush relic in cluster 1RXS 06+42 indicate that models describing the origin of relics have to include effects beyond the assumptions of diffuse shock acceleration. The spectra of the radio relics in ZwCl 0008+52 and in Abell 1612 are steep, as expected from weak shocks (Mach number ≈2.4). Polarization observations of radio relics offer a method of measuring the strength and geometry of the shock front. We find polarization degrees of more than 50% in the two prominent Mpc-sized radio relics, the Sausage and the Toothbrush, which are among the highest percentages of linear polarization detected in any extragalactic radio source to date. This is remarkable because the large beam size of the Effelsberg single-dish telescope corresponds to linear extensions of about 300 kpc at 8.35 GHz at the distances of the relics. The high degree of polarization indicates that the magnetic field vectors are almost perfectly aligned along the relic structure, as expected for shock

  1. Evolution of highly compact binary stellar systems in globular clusters

    International Nuclear Information System (INIS)

    Krolik, J.H.; Meiksin, A.; Joss, P.C.

    1984-01-01

    We have calculated the secular evolution of a highly compact binary stellar system, composed of a collapsed object and a low-mass secondary star, in the core of a globular cluster. The binary evolves under the combined influences of (i) gravitational radiation losses from the system, (ii) the evolution of the secondary star, (iii) the resultant gradual mass transfer, if any, from the secondary to the collapsed object, and (iv) occasional encounters with passing field stars. We calculate all these effects in detail, utilizing some simplifying approximations appropriate to low-mass secondaries. The times of encounters with field stars, and the initial parameter specifying those encounters, were chosen by use of a Monte Carlo technique; the subsequent gravitational interactions were calculated utilzing a three-body integrator, and the changes in the binary orbital parmeters were thereby determined. We carried out a total of 20 such evolutionary calculations for each of two cluster core densities (1 and 3 x 10 3 stars pc -3 ). Each calculation was continued until the binary was disrupted or until 2 x 10 10 yr had elapsed

  2. Dimensioning storage and computing clusters for efficient High Throughput Computing

    CERN Multimedia

    CERN. Geneva

    2012-01-01

    Scientific experiments are producing huge amounts of data, and they continue increasing the size of their datasets and the total volume of data. These data are then processed by researchers belonging to large scientific collaborations, with the Large Hadron Collider being a good example. The focal point of Scientific Data Centres has shifted from coping efficiently with PetaByte scale storage to deliver quality data processing throughput. The dimensioning of the internal components in High Throughput Computing (HTC) data centers is of crucial importance to cope with all the activities demanded by the experiments, both the online (data acceptance) and the offline (data processing, simulation and user analysis). This requires a precise setup involving disk and tape storage services, a computing cluster and the internal networking to prevent bottlenecks, overloads and undesired slowness that lead to losses cpu cycles and batch jobs failures. In this paper we point out relevant features for running a successful s...

  3. Analogs of solid nanoparticles as precursors of aromatic hydrocarbons

    Science.gov (United States)

    Gadallah, K. A. K.; Mutschke, H.; Jäger, C.

    2013-06-01

    Context. Aromatic =CH and C=C vibrational bands have been observed within shocked interstellar regions, indicating the presence of aromatic emission carriers such as PAHs, which may have been created from adjacent molecular cloud material by interaction with a shock front. Aims: We investigate the evolution of the aromatic =CH and C=C vibrational modes at 3.3 and 6.2 μm wavelength in heated HAC materials, PAHs and mixed PAHs and HACs, respectively, aiming at an explanation of the evolution of carbonaceous dust grains in the shocked regions. Methods: Materials used in these analogs (HAC and PAH materials) were prepared by the laser ablation and the laser pyrolysis methods, respectively. The transmission electron microscopy (TEM) in high-resolution mode was used as an analytical technique to characterize the aromatic layers in HACs. Spectroscopic analysis was prformed in the mid-IR range. Results: A remarkable destruction of aliphatic structures in HACs has been observed with the thermal processing, while aromatic structures become dominating by increasing the diameters of the graphene layers. The aromatic bands at 3.3 and 6.2 μm, observed in the laboratory spectra of PAHs and of the combination of the PAHs and HAC materials, are also clearly observed in the spectrum of the heated HACs. These bands agree with those of aromatic bands observed in astronomical observations. Conclusions: Aromatization of HACs could be a pre-stage in the decomposition process of hydrocarbons that form PAH-clusters in such hot interstellar medium.

  4. 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.

  5. High resolution imaging of colliding blast waves in cluster media

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Roland A [Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); Lazarus, James [Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); Hohenberger, Matthias [Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); Marocchino, Alberto [Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); Robinson, Joseph S [Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); Chittenden, Jeremy P [Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); Moore, Alastair S [Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); Gumbrell, Edward T [Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2AZ (United Kingdom); Dunne, Mike [Central Laser Facility, Rutherford Appleton Laboratory, Chilton, Didcot OX11 OQX (United Kingdom)

    2007-12-15

    Strong shocks and blast wave collisions are commonly observed features in astrophysical objects such as nebulae and supernova remnants. Numerical simulations often underpin our understanding of these complex systems, however modelling of such extreme phenomena remains challenging, particularly so for the case of radiative or colliding shocks. This highlights the need for well-characterized laboratory experiments both to guide physical insight and to provide robust data for code benchmarking. Creating a sufficiently high-energy-density gas medium for conducting scaled laboratory astrophysics experiments has historically been problematic, but the unique ability of atomic cluster gases to efficiently couple to intense pulses of laser light now enables table top scale (1 J input energy) studies to be conducted at gas densities of >10{sup 19} particles cm{sup -3} with an initial energy density >5 x 10{sup 9} J g{sup -1}. By laser heating atomic cluster gas media we can launch strong (up to Mach 55) shocks in a range of geometries, with and without radiative precursors. These systems have been probed with a range of optical and interferometric diagnostics in order to retrieve electron density profiles and blast wave trajectories. Colliding cylindrical shock systems have also been studied, however the strongly asymmetric density profiles and radial and longitudinal mass flow that result demand a more complex diagnostic technique based on tomographic phase reconstruction. We have used the 3D magnetoresistive hydrocode GORGON to model these systems and to highlight interesting features such as the formation of a Mach stem for further study.

  6. 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.

  7. 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.

  8. Aromatic graphene

    International Nuclear Information System (INIS)

    Das, D. K.; Sahoo, S.

    2016-01-01

    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.

  9. High Zn/Al ratios enhance dehydrogenation vs hydrogen transfer reactions of Zn-ZSM-5 catalytic systems in methanol conversion to aromatics

    DEFF Research Database (Denmark)

    Pinilla-Herrero, Irene; Borfecchia, Elisa; Holzinger, Julian

    2018-01-01

    suggest that catalytic activity is associated with [Zn(H2O)n(OH)]+ species located in the exchange positions of the materials with little or no contribution of ZnO or metallic Zn. The effect of Zn/Al ratio on their catalytic performance in methanol conversion to aromatics has been investigated. In all...... cases, higher Zn content causes an increase in the yield of aromatics while keeping the production of alkanes low. For similar Zn contents, high densities of Al sites favour the hydrogen transfer reactions and alkane formation whereas in samples with low Al contents, and thus higher Zn/Al ratio...

  10. [Simultaneous analysis of aromatic aldehydes and coumarins with high pressure liquid chromatography. Application to wines and brandies stored in oak barrels].

    Science.gov (United States)

    Salagoity-Auguste, M H; Tricard, C; Sudraud, P

    1987-04-17

    Aromatic aldehydes (vanillin, syringaldehyde, coniferaldehyde and sinapaldehyde) and coumarins (esculetin, umbelliferone, scopoletin and methylumbelliferone) are natural wood compounds. Storage of wines and brandies in oak barrels increases notably aldehydes and coumarins (particularly scopoletin) concentrations. These compounds were separated by high-performance liquid chromatography, on hydrocarbon bonded reversed-phase packings, with a water-acetonitrile elution gradient. They were first extracted from wines and brandies by diethyl ether and then injected on chromatographic column. A double detection was used to determine simultaneously aromatic aldehydes and coumarins by UV absorption and fluorescence respectively.

  11. Converting lignin to aromatics: step by step

    NARCIS (Netherlands)

    Strassberger, Z.I.

    2014-01-01

    Lignin, the glue that holds trees together, is the most abundant natural resource of aromatics. In that respect, it is a far more advanced resource than crude oil. This is because lignin already contains the aromatic functional groups. Thus, catalytic conversion of lignin to high-value aromatics is

  12. Highly Active and Specific Tyrosine Ammonia-Lyases from Diverse Origins Enable Enhanced Production of Aromatic Compounds in Bacteria and Saccharomyces cerevisiae

    DEFF Research Database (Denmark)

    Jendresen, Christian Bille; Stahlhut, Steen Gustav; Li, Mingji

    2015-01-01

    Phenylalanine and tyrosine ammonia-lyases form cinnamic acid and p-coumaric acid, which are precursors of a wide range of aromatic compounds of biotechnological interest. Lack of highly active and specific tyrosine ammonia-lyases has previously been a limitation in metabolic engineering approaches...

  13. 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.

  14. Dimensioning storage and computing clusters for efficient high throughput computing

    International Nuclear Information System (INIS)

    Accion, E; Bria, A; Bernabeu, G; Caubet, M; Delfino, M; Espinal, X; Merino, G; Lopez, F; Martinez, F; Planas, E

    2012-01-01

    Scientific experiments are producing huge amounts of data, and the size of their datasets and total volume of data continues increasing. These data are then processed by researchers belonging to large scientific collaborations, with the Large Hadron Collider being a good example. The focal point of scientific data centers has shifted from efficiently coping with PetaByte scale storage to deliver quality data processing throughput. The dimensioning of the internal components in High Throughput Computing (HTC) data centers is of crucial importance to cope with all the activities demanded by the experiments, both the online (data acceptance) and the offline (data processing, simulation and user analysis). This requires a precise setup involving disk and tape storage services, a computing cluster and the internal networking to prevent bottlenecks, overloads and undesired slowness that lead to losses cpu cycles and batch jobs failures. In this paper we point out relevant features for running a successful data storage and processing service in an intensive HTC environment.

  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. Spiking neural networks on high performance computer clusters

    Science.gov (United States)

    Chen, Chong; Taha, Tarek M.

    2011-09-01

    In this paper we examine the acceleration of two spiking neural network models on three clusters of multicore processors representing three categories of processors: x86, STI Cell, and NVIDIA GPGPUs. The x86 cluster utilized consists of 352 dualcore AMD Opterons, the Cell cluster consists of 320 Sony Playstation 3s, while the GPGPU cluster contains 32 NVIDIA Tesla S1070 systems. The results indicate that the GPGPU platform can dominate in performance compared to the Cell and x86 platforms examined. From a cost perspective, the GPGPU is more expensive in terms of neuron/s throughput. If the cost of GPGPUs go down in the future, this platform will become very cost effective for these models.

  17. An Investigation of Electronic Structure and Aromaticity in Medium-Sized Nanoclusters of Gold-Doped Germanium

    Directory of Open Access Journals (Sweden)

    Xiao-Jun Li

    2012-01-01

    Full Text Available The electronic property and aromaticity of endohedrally doped and clusters are investigated using the density-functional theory (DFT within the hybrid B3LYP method. The calculated results reveal that the two clusters have high thermodynamic stability reflected by reaction energy. At the same time, it could be hoped that their high stability may arise from the closed-shell spherical aromaticity with eight -electrons satisfying the counting rule with . A popular nucleus-independent chemical shifts (NICSs calculation on basis of magnetic shieldings is also performed to confirm the aromaticity of the three-dimensional nanoclusters with largely negative NICS values. In addition, the electronic features and chemical bonding of the two clusters are analyzed with the help of the density of states (DOS and electron localization function (ELF, and the majority of Ge–Ge bonds on the cage show more covalent characters.

  18. 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.

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

    KAUST Repository

    Li, Baiyan; Zhang, Yiming; Krishna, Rajamani; Yao, Kexin; Han, Yu; Wu, Zili; Ma, Dingxuan; Shi, Zhan; Pham, Tony T.; Space, Brian; Liu, Jian; Thallapally, Praveen K.; Liu, Jun; Chrzanowski, Matthew; Ma, Shengqian

    2014-01-01

    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.

  20. Electron scattering in large water clusters from photoelectron imaging with high harmonic radiation.

    Science.gov (United States)

    Gartmann, Thomas E; Hartweg, Sebastian; Ban, Loren; Chasovskikh, Egor; Yoder, Bruce L; Signorell, Ruth

    2018-06-06

    Low-energy electron scattering in water clusters (H2O)n with average cluster sizes of n < 700 is investigated by angle-resolved photoelectron spectroscopy using high harmonic radiation at photon energies of 14.0, 20.3, and 26.5 eV for ionization from the three outermost valence orbitals. The measurements probe the evolution of the photoelectron anisotropy parameter β as a function of cluster size. A remarkably steep decrease of β with increasing cluster size is observed, which for the largest clusters reaches liquid bulk values. Detailed electron scattering calculations reveal that neither gas nor condensed phase scattering can explain the cluster data. Qualitative agreement between experiment and simulations is obtained with scattering calculations that treat cluster scattering as an intermediate case between gas and condensed phase scattering.

  1. 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

  2. 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.

  3. High-performance dynamic quantum clustering on graphics processors

    International Nuclear Information System (INIS)

    Wittek, Peter

    2013-01-01

    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 Schrödinger 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.

  4. Spectral energy distributions for galaxies in high-redshift clusters

    International Nuclear Information System (INIS)

    Ellis, R.S.; Couch, W.J.; MacLaren, Iain

    1985-01-01

    The distant cluster 0016+16 (z=0.54) has been imaged through six intermediate-bandwidth filters ranging in wavelength from 418 to 862 nm, maintaining a photometric precision of 10 per cent to a limiting magnitude of F=22. It is found that the field-subtracted colour distributions are not compatible with a single uniformly red population of early-type members at z=0.54. A significant intermediate colour component identified with a spectroscopic object at z=0.30 is also present, thus reducing the possibility that the z=0.54 cluster exhibits an excess of blue galaxies. It is demonstrated how the six-colour data can be used to individually classify the galaxies by type and approximate redshift so that it is possible to identify which objects are members of the z=0.54 cluster. (author)

  5. Clustering for high-dimension, low-sample size data using distance vectors

    OpenAIRE

    Terada, Yoshikazu

    2013-01-01

    In high-dimension, low-sample size (HDLSS) data, it is not always true that closeness of two objects reflects a hidden cluster structure. We point out the important fact that it is not the closeness, but the "values" of distance that contain information of the cluster structure in high-dimensional space. Based on this fact, we propose an efficient and simple clustering approach, called distance vector clustering, for HDLSS data. Under the assumptions given in the work of Hall et al. (2005), w...

  6. Observations of High Dispersion Clusters of Galaxies: Constraints on Cold Dark Matter

    Science.gov (United States)

    Oegerle, William R.; Hill, John M.; Fitchett, Michael J.

    1995-07-01

    We have studied the dynamics of several Abell clusters of galaxies, which were previously reported to have large velocity dispersions, and hence very large masses. In particular, we have investigated the assertion of Frenk et al. (1990) that clusters with intrinsic velocity dispersions ~> 1200 km s^-1^ are extremely rare in the universe, and that large observed dispersions are due to projection effects. We report redshifts for 303 galaxies in the fields of A1775, A2029, A2142, and A2319, obtained with the Nessie multifiber spectrograph at the Mayall 4 m telescope. A1775 appears to be two poor, interacting clusters, separated in velocity space by ~3075 km s^-1^ (in the cluster rest frame). A2029 has a velocity dispersion of 1436 km s^-1^, based on 85 cluster member redshifts. There is evidence that a group or poor cluster of galaxies of slightly different redshift is projected onto (or is merging with) the core of A2029. However, the combined kinematic and x-ray data for A2029 argue for an intrinsically large dispersion for this cluster. Based on redshifts for 103 members of A2142, we find a dispersion of 1280 km s^-1^, and evidence for subclustering. With 130 redshifts in the A2319 field, we have isolated a subcluster ~10' NW of the cD galaxy. After its removal, A2319 has a velocity dispersion of 1324 km s^-1^. The data obtained here have been combined with recent optical and X-ray data for other supposedly high-mass clusters to study the cluster velocity dispersion distribution in a sample of Abell clusters. We find that clusters with true velocity dispersions ~> 1200 km s^-1^ are not extremely rare, but account for ~5% of all Abell clusters with R >= 0. If these clusters are in virial equilibrium, then our results are inconsistent with a high-bias (b~>22), high-density CDM model.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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"−"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.

  8. 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.

  9. 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. Copyright © 2013 Elsevier Ltd. All rights reserved.

  10. 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

  11. Controlling Microstructure-Transport Interplay in Highly Phase-Separated Perfluorosulfonated Aromatic Multiblock Ionomers via Molecular Architecture Design.

    Science.gov (United States)

    Nguyen, Huu-Dat; Assumma, Luca; Judeinstein, Patrick; Mercier, Regis; Porcar, Lionel; Jestin, Jacques; Iojoiu, Cristina; Lyonnard, Sandrine

    2017-01-18

    Proton-conducting multiblock polysulfones bearing perfluorosulfonic acid side chains were designed to encode nanoscale phase-separation, well-defined hydrophilic/hydrophobic interfaces, and optimized transport properties. Herein, we show that the superacid side chains yield highly ordered morphologies that can be tailored by best compromising ion-exchange capacity and block lengths. The obtained microstructures were extensively characterized by small-angle neutron scattering (SANS) over an extended range of hydration. Peculiar swelling behaviors were evidenced at two different scales and attributed to the dilution of locally flat polymer particles. We evidence the direct correlation between the quality of interfaces, the topology and connectivity of ionic nanodomains, the block superstructure long-range organization, and the transport properties. In particular, we found that the proton conductivity linearly depends on the microscopic expansion of both ionic and block domains. These findings indicate that neat nanoscale phase-separation and block-induced long-range connectivity can be optimized by designing aromatic ionomers with controlled architectures to improve the performances of polymer electrolyte membranes.

  12. Determination of polycyclic aromatic hydrocarbons in drinking water samples by solid-phase nanoextraction and high-performance liquid chromatography.

    Science.gov (United States)

    Wang, Huiyong; Campiglia, Andres D

    2008-11-01

    A novel alternative is presented for the extraction and preconcentration of polycyclic aromatic hydrocarbons (PAH) from water samples. The new approachwhich we have named solid-phase nanoextraction (SPNE)takes advantage of the strong affinity that exists between PAH and gold nanoparticles. Carefully optimization of experimental parameters has led to a high-performance liquid chromatography method with excellent analytical figures of merit. Its most striking feature correlates to the small volume of water sample (500 microL) for complete PAH analyses. The limits of detection ranged from 0.9 (anthracene) to 58 ng.L (-1) (fluorene). The relative standard deviations at medium calibration concentrations vary from 3.2 (acenaphthene) to 9.1% (naphthalene). The analytical recoveries from tap water samples of the six regulated PAH varied from 83.3 +/- 2.4 (benzo[ k]fluoranthene) to 95.7 +/- 4.1% (benzo[ g,h,i]perylene). The entire extraction procedure consumes less than 100 microL of organic solvents per sample, which makes it environmentally friendly. The small volume of extracting solution makes SPNE a relatively inexpensive extraction approach.

  13. Distribution of polycyclic aromatic hydrocarbons in the food web of a high mountain lake, Pyrenees, Catalonia, Spain.

    Science.gov (United States)

    Vives, Ingrid; Grimalt, Joan O; Ventura, Marc; Catalan, Jordi

    2005-06-01

    We investigated the contents of polycyclic aromatic hydrocarbons (PAHs) in the food web organisms included in the diet of brown trout from a remote mountain lake. The preferential habitat and trophic level of the component species have been assessed from the signature of stable isotopes (delta13C and delta15N). Subsequently, the patterns of accumulation and transformation of these hydrocarbons in the food chain have been elucidated. Most of the food web organisms exhibit PAH distributions largely dominated by phenanthrene, which agrees with its predominance in atmospheric deposition, water, and suspended particles. Total PAH levels are higher in the organisms from the littoral habitat than from the deep sediments or the pelagic water column. However, organisms from deep sediments exhibit higher proportions of higher molecular weight PAH than those in other lake areas. Distinct organisms exhibit specific features in their relative PAH composition that point to different capacities for uptake and metabolic degradation. Brown trout show an elevated capacity for metabolic degradation because they have lower PAH concentrations than food and they are enriched strongly in lower molecular weight compounds. The PAH levels in trout highly depend on organisms living in the littoral areas. Fish exposure to PAH, therefore, may vary from lake to lake according to the relative contribution of littoral organisms to their diet.

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

    International Nuclear Information System (INIS)

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

    2000-01-01

    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 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

  15. The cluster environments of powerful, high-redshift radio galaxies

    International Nuclear Information System (INIS)

    Yates, M.G.

    1989-01-01

    We present deep imaging of a sample of 25 powerful radio galaxies in the redshift range 0.15 gr ) about each source, a measure of the richness of environment. The powerful radio galaxies in this sample at z>0.3 occupy environments nearly as rich on average as Abell class 0 clusters of galaxies, about three times richer than the environments of the z<0.3 radio galaxies. This trend in cluster environment is consistent with that seen in radio-loud quasars over the same redshift range. Our previous work on the 3CR sample suggested that the fundamental parameter which correlates with the richness of environment might be the radio luminosity of the galaxy, rather than its redshift. Our direct imaging confirms that the most powerful radio galaxies do inhabit rich environments. (author)

  16. Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal.

    Science.gov (United States)

    Oh, Juwon; Sung, Young Mo; Hong, Yongseok; Kim, Dongho

    2018-03-06

    Aromaticity, the special energetic stability derived from cyclic [4 n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity. Time-resolved optical spectroscopies can provide a new and alternative avenue to evaluate excited-state aromaticity experimentally while observing changes in the molecular features in the excited states. Time-resolved optical spectroscopies take advantage of ultrafast laser pulses to achieve high time resolution, making them suitable for monitoring ultrafast changes in the excited states of molecular systems. This can provide valuable information for understanding the aromaticity reversal. This Account presents recent breakthroughs in the experimental assessment of excited-state aromaticity and the verification of aromaticity reversal with time-resolved optical spectroscopic measurements. To

  17. 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.

  18. Analysis of aromatic aldehydes in brandy and wine by high-performance capillary electrophoresis.

    Science.gov (United States)

    Panossian, A; Mamikonyan, G; Torosyan, M; Gabrielyan, E; Mkhitaryan, S

    2001-09-01

    A new method of analysis of vanillin, syringaldehyde, coniferaldehyde, and sinapaldehyde in brandy and wine by high-performance capillary electrophoresis is described. Electrophoretic mobility of these compounds is achieved by a borate buffer at pH 9.3. At this pH, the sensitivity of UV detection of these phenolic aldehydes also increases. UV absorptions at 348, 362, 404, and 422 nm were selected for monitoring vanillin, syringaldehyde, coniferaldehyde, and sinapaldehyde, respectively. This procedure was performed simultaneously during one run using a diode array detector. Samples of brandy or wine were analyzed directly without concentration, extraction, or any other preliminary treatment of the test sample. The limits of detection were found to be 0.275, 0.1425, 0.1475, and 0.1975 ppm for syringaldehyde, coniferaldehyde, sinapaldehyde, and vanillin, respectively, which is acceptable for analysis of both brandy and wine aged in oak barrels. The method has been shown to be linear in a range from 0.3 to 57 mg/L. Recoveries ranged between 99.9% and 107.7% for all of the compounds tested. Repeatability and reproducibility of the method were high. The relative standard deviation was consequently approximately 3% and also between 4.47% and 6.89% for all tested compounds. The method is useful for the identification of counterfeit brandy, which is easy to recognize by the absence of sinapaldehyde, syringaldehyde, and coniferaldehyde, which are not detectable in false brandy.

  19. Ionization of water clusters by fast Highly Charged Ions: Stability, fragmentation, energetics and charge mobility

    International Nuclear Information System (INIS)

    Legendre, S; Maisonny, R; Capron, M; Bernigaud, V; Cassimi, A; Gervais, B; Grandin, J-P; Huber, B A; Manil, B; Rousseau, P; Tarisien, M; Adoui, L; Lopez-Tarifa, P; AlcamI, M; MartIn, F; Politis, M-F; Penhoat, M A Herve du; Vuilleumier, R; Gaigeot, M-P; Tavernelli, I

    2009-01-01

    We study dissociative ionization of water clusters by impact of fast Ni ions. Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) is used to obtain information about stability, energetics and charge mobility of the ionized clusters. An unusual stability of the (H 2 O) 4 H ''+ ion is observed, which could be the signature of the so called ''Eigen'' structure in gas phase water clusters. High charge mobility, responsible for the formation of protonated water clusters that dominate the mass spectrum, is evidenced. These results are supported by CPMD and TDDFT simulations, which also reveal the mechanisms of such mobility.

  20. Polycyclic aromatic hydrocarbons over a tropical urban and a high altitude Himalayan Station in India: Temporal variation and source apportionment

    Science.gov (United States)

    Ray, Debajyoti; Chatterjee, Abhijit; Majumdar, Dipanjali; Ghosh, Sanjay K.; Raha, Sibaji

    2017-11-01

    The temporal variations and major sources of polycyclic aromatic hydrocarbons (PAH) intrinsic to PM10 were investigated over a tropical urban atmosphere on the Indo-Gangetic Plain (IGP) and for the first time over a high altitude urban atmosphere at eastern Himalaya in India. Samples were collected over Kolkata, a megacity and Darjeeling, a high altitude (2200 m asl) hill station in eastern India during the dry season (October 2015-May 2016). Fourteen PAHs were detected and quantified over Kolkata and Darjeeling during three consecutive seasons, viz., post-monsoon, winter and pre-monsoon. The total-PAHs concentrations were in the order of winter (78.08-146.71 ngm- 3) > post-monsoon (83.42-113.52 ngm- 3) > pre-monsoon (37.65-109.27 ngm- 3) at Kolkata, whereas post-monsoon (22.72-36.60 ngm- 3) > winter (8.52-28.43 ngm- 3) > pre-monsoon (5.45-13.34 ngm- 3) at Darjeeling. The observed seasonality of PAHs at Kolkata vis-a-vis Darjeeling has been explored in the light of anthropogenic activities, boundary layer dynamics and meteorological parameters such as temperature, relative humidity, wind speed and solar radiation. Negative correlation was observed between total-PAHs and temperature, wind speed and solar radiation over Kolkata and Darjeeling. The positive matrix factorization (PMF) model calculations suggested that coal (26%), petrol (24%) and diesel (17%) combustion, commercial and household kitchens (18%) and municipal solid waste incineration (15%) are the possible contributors to the PM10 associated PAHs over Kolkata whereas diesel (37%), commercial and household kitchens (23%), coal (21%) and petrol (20%) are the possible PM10 associated PAH sources over Darjeeling.

  1. 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...

  2. Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations

    Science.gov (United States)

    Madsen, Niels Kristian; Godtliebsen, Ian H.; Losilla, Sergio A.; Christiansen, Ove

    2018-01-01

    A new implementation of vibrational coupled-cluster (VCC) theory is presented, where all amplitude tensors are represented in the canonical polyadic (CP) format. The CP-VCC algorithm solves the non-linear VCC equations without ever constructing the amplitudes or error vectors in full dimension but still formally includes the full parameter space of the VCC[n] model in question resulting in the same vibrational energies as the conventional method. In a previous publication, we have described the non-linear-equation solver for CP-VCC calculations. In this work, we discuss the general algorithm for evaluating VCC error vectors in CP format including the rank-reduction methods used during the summation of the many terms in the VCC amplitude equations. Benchmark calculations for studying the computational scaling and memory usage of the CP-VCC algorithm are performed on a set of molecules including thiadiazole and an array of polycyclic aromatic hydrocarbons. The results show that the reduced scaling and memory requirements of the CP-VCC algorithm allows for performing high-order VCC calculations on systems with up to 66 vibrational modes (anthracene), which indeed are not possible using the conventional VCC method. This paves the way for obtaining highly accurate vibrational spectra and properties of larger molecules.

  3. 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.

  4. A novel strategy for the determination of polycyclic aromatic hydrocarbon monohydroxylated metabolites in urine using ultra-high-performance liquid chromatography with tandem mass spectrometry.

    Czech Academy of Sciences Publication Activity Database

    Lanková, D.; Urbancová, K.; Šrám, Radim; Hajslová, J.; Pulkrabová, J.

    2016-01-01

    Roč. 408, č. 10 (2016), s. 2515-2525 ISSN 1618-2642 R&D Projects: GA ČR(CZ) GA13-13458S Institutional support: RVO:68378041 Keywords : monohydroxylated metabolites of polycyclic aromatic hydrocarbons * SRM 3673 * tandem mass spectrometry * ultra-high-performance liquid chromatography * urine Subject RIV: DN - Health Impact of the Environment Quality Impact factor: 3.431, year: 2016

  5. High-accuracy coupled cluster calculations of atomic properties

    Energy Technology Data Exchange (ETDEWEB)

    Borschevsky, A. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel and Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Private Bag 102904, 0745 Auckland (New Zealand); Yakobi, H.; Eliav, E.; Kaldor, U. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv (Israel)

    2015-01-22

    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm{sup −1}, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.

  6. High-accuracy coupled cluster calculations of atomic properties

    International Nuclear Information System (INIS)

    Borschevsky, A.; Yakobi, H.; Eliav, E.; Kaldor, U.

    2015-01-01

    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm −1 , the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues

  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. THE XMM CLUSTER SURVEY: THE BUILD-UP OF STELLAR MASS IN BRIGHTEST CLUSTER GALAXIES AT HIGH REDSHIFT

    International Nuclear Information System (INIS)

    Stott, J. P.; Collins, C. A.; Hilton, M.; Capozzi, D.; Sahlen, M.; Lloyd-Davies, E.; Hosmer, M.; Liddle, A. R.; Mehrtens, N.; Romer, A. K.; Miller, C. J.; 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 K s -band photometry of 20 high redshift galaxy clusters between z = 0.8 and1.5, 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 ∼9 x 10 11 M sun 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 mass of BCGs over the last 9-10 Gyr in stark contrast to the predictions of semi-analytic models, based on the hierarchical merging of dark matter halos, which predict a more protracted mass build-up over a Hubble time. However, we discuss that there is potential for reconciliation between observation and theory if there is a significant growth of material in the intracluster light over the same period.

  9. Vector dark energy and high-z massive clusters

    Science.gov (United States)

    Carlesi, Edoardo; Knebe, Alexander; Yepes, Gustavo; Gottlöber, Stefan; Jiménez, Jose Beltrán.; Maroto, Antonio L.

    2011-12-01

    The detection of extremely massive clusters at z > 1 such as SPT-CL J0546-5345, SPT-CL J2106-5844 and XMMU J2235.3-2557 has been considered by some authors as a challenge to the standard Λ cold dark matter cosmology. In fact, assuming Gaussian initial conditions, the theoretical expectation of detecting such objects is as low as ≤1 per cent. In this paper we discuss the probability of the existence of such objects in the light of the vector dark energy paradigm, showing by means of a series of N-body simulations that chances of detection are substantially enhanced in this non-standard framework.

  10. Overlapping communities from dense disjoint and high total degree clusters

    Science.gov (United States)

    Zhang, Hongli; Gao, Yang; Zhang, Yue

    2018-04-01

    Community plays an important role in the field of sociology, biology and especially in domains of computer science, where systems are often represented as networks. And community detection is of great importance in the domains. A community is a dense subgraph of the whole graph with more links between its members than between its members to the outside nodes, and nodes in the same community probably share common properties or play similar roles in the graph. Communities overlap when nodes in a graph belong to multiple communities. A vast variety of overlapping community detection methods have been proposed in the literature, and the local expansion method is one of the most successful techniques dealing with large networks. The paper presents a density-based seeding method, in which dense disjoint local clusters are searched and selected as seeds. The proposed method selects a seed by the total degree and density of local clusters utilizing merely local structures of the network. Furthermore, this paper proposes a novel community refining phase via minimizing the conductance of each community, through which the quality of identified communities is largely improved in linear time. Experimental results in synthetic networks show that the proposed seeding method outperforms other seeding methods in the state of the art and the proposed refining method largely enhances the quality of the identified communities. Experimental results in real graphs with ground-truth communities show that the proposed approach outperforms other state of the art overlapping community detection algorithms, in particular, it is more than two orders of magnitude faster than the existing global algorithms with higher quality, and it obtains much more accurate community structure than the current local algorithms without any priori information.

  11. Mass distribution and multiple fragmentation events in high energy cluster-cluster collisions: evidence for a predicted phase transition

    International Nuclear Information System (INIS)

    Farizon, B.; Farizon, M.; Gaillard, M.J.; Genre, R.; Louc, S.; Martin, J.; Senn, G.; Scheier, P.; Maerk, T.D.

    1996-09-01

    Fragment size distributions including multiple fragmentation events have been measured for high energy H 25 + cluster ions (60 keV/amu) colliding with a neutral C 60 target. In contrast to earlier collision experiments with a helium target the present studies do not show a U-shaped fragment mass distribution, but a single power-law falloff with increasing fragment mass. This behaviour is similar to what is known for the intermediate regime in nuclear collision physics and thus confirms a recently predicted scaling from nuclear to molecular collisions

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

    International Nuclear Information System (INIS)

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

    2017-01-01

    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.

  13. Fragmentation of neutral carbon clusters formed by high velocity atomic collision

    International Nuclear Information System (INIS)

    Martinet, G.

    2004-05-01

    The aim of this work is to understand the fragmentation of small neutral carbon clusters formed by high velocity atomic collision on atomic gas. In this experiment, the main way of deexcitation of neutral clusters formed by electron capture with ionic species is the fragmentation. To measure the channels of fragmentation, a new detection tool based on shape analysis of current pulse delivered by semiconductor detectors has been developed. For the first time, all branching ratios of neutral carbon clusters are measured in an unambiguous way for clusters size up to 10 atoms. The measurements have been compared to a statistical model in microcanonical ensemble (Microcanonical Metropolis Monte Carlo). In this model, various structural properties of carbon clusters are required. These data have been calculated with Density Functional Theory (DFT-B3LYP) to find the geometries of the clusters and then with Coupled Clusters (CCSD(T)) formalism to obtain dissociation energies and other quantities needed to compute fragmentation calculations. The experimental branching ratios have been compared to the fragmentation model which has allowed to find an energy distribution deposited in the collision. Finally, specific cluster effect has been found namely a large population of excited states. This behaviour is completely different of the atomic carbon case for which the electron capture in the ground states predominates. (author)

  14. Centroid based clustering of high throughput sequencing reads based on n-mer counts.

    Science.gov (United States)

    Solovyov, Alexander; Lipkin, W Ian

    2013-09-08

    Many problems in computational biology require alignment-free sequence comparisons. One of the common tasks involving sequence comparison is sequence clustering. Here we apply methods of alignment-free comparison (in particular, comparison using sequence composition) to the challenge of sequence clustering. We study several centroid based algorithms for clustering sequences based on word counts. Study of their performance shows that using k-means algorithm with or without the data whitening is efficient from the computational point of view. A higher clustering accuracy can be achieved using the soft expectation maximization method, whereby each sequence is attributed to each cluster with a specific probability. We implement an open source tool for alignment-free clustering. It is publicly available from github: https://github.com/luscinius/afcluster. We show the utility of alignment-free sequence clustering for high throughput sequencing analysis despite its limitations. In particular, it allows one to perform assembly with reduced resources and a minimal loss of quality. The major factor affecting performance of alignment-free read clustering is the length of the read.

  15. High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons in the 3 μm region: role of hydrogenation and alkylation

    Science.gov (United States)

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

    2018-03-01

    Aim. We aim to elucidate the spectral changes in the 3 μm region that result from chemical changes in the molecular periphery of polycyclic aromatic hydrocarbons (PAHs) with extra hydrogens (H-PAHs) and methyl groups (Me-PAHs). Methods: Advanced laser spectroscopic techniques combined with mass spectrometry were applied on supersonically cooled 1,2,3,4-tetrahydronaphthalene, 9,10-dihydroanthracene, 9,10-dihydrophenanthrene, 1,2,3,6,7,8-hexahydropyrene, 9-methylanthracene, and 9,10-dimethylanthracene, allowing us to record mass-selective and conformationally selective absorption spectra of the aromatic, aliphatic, and alkyl CH-stretches in the 3.175 - 3.636 µm region with laser-limited resolution. We compared the experimental absorption spectra with standard harmonic calculations and with second-order vibrational perturbation theory anharmonic calculations that use the SPECTRO program for treating resonances. Results: We show that anharmonicity plays an important if not dominant role, affecting not only aromatic, but also aliphatic and alkyl CH-stretch vibrations. The experimental high-resolution data lead to the conclusion that the variation in Me- and H-PAHs composition might well account for the observed variations in the 3 μm emission spectra of carbon-rich and star-forming regions. Our laboratory studies also suggest that heavily hydrogenated PAHs form a significant fraction of the carriers of IR emission in regions in which an anomalously strong 3 μm plateau is observed.

  16. Bimetallic Ag-Pt Sub-nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Negreiros, Fabio R. [CNR-ICCOM & IPCF, Consiglio Nazionale delle Ricerche, Pisa Italy; Halder, Avik [Materials Science Division, Argonne National Laboratory, Lemont IL USA; Yin, Chunrong [Materials Science Division, Argonne National Laboratory, Lemont IL USA; Singh, Akansha [Harish-Chandra Research Institute, HBNI, Chhatnag Road Jhunsi Allahabad 211019 India; Barcaro, Giovanni [CNR-ICCOM & IPCF, Consiglio Nazionale delle Ricerche, Pisa Italy; Sementa, Luca [CNR-ICCOM & IPCF, Consiglio Nazionale delle Ricerche, Pisa Italy; Tyo, Eric C. [Materials Science Division, Argonne National Laboratory, Lemont IL USA; Pellin, Michael J. [Materials Science Division, Argonne National Laboratory, Lemont IL USA; Bartling, Stephan [Institut für Physik, Universität Rostock, Rostock Germany; Meiwes-Broer, Karl-Heinz [Institut für Physik, Universität Rostock, Rostock Germany; Seifert, Sönke [X-ray Science Division, Argonne National Laboratory, Lemont IL USA; Sen, Prasenjit [Harish-Chandra Research Institute, HBNI, Chhatnag Road Jhunsi Allahabad 211019 India; Nigam, Sandeep [Chemistry Division, Bhabha Atomic Research Centre, Trombay Mumbai- 400 085 India; Majumder, Chiranjib [Chemistry Division, Bhabha Atomic Research Centre, Trombay Mumbai- 400 085 India; Fukui, Nobuyuki [East Tokyo Laboratory, Genesis Research Institute, Inc., Ichikawa Chiba 272-0001 Japan; Yasumatsu, Hisato [Cluster Research Laboratory, Toyota Technological Institute: in, East Tokyo Laboratory, Genesis Research Institute, Inc. Ichikawa, Chiba 272-0001 Japan; Vajda, Stefan [Materials Science Division, Argonne National Laboratory, Lemont IL USA; Nanoscience and Technology Division, Argonne National Laboratory, Lemont IL USA; Institute for Molecular Engineering, University of Chicago, Chicago IL USA; Fortunelli, Alessandro [CNR-ICCOM & IPCF, Consiglio Nazionale delle Ricerche, Pisa Italy; Materials and Process Simulation Center, California Institute of Technology, Pasadena CA USA

    2017-12-29

    A combined experimental and theoretical investigation of Ag-Pt sub-nanometer clusters as heterogeneous catalysts in the CO -> CO2 reaction (COox) is presented. Ag9Pt2 and Ag9Pt3 clusters are size-selected in the gas phase, deposited on an ultrathin amorphous alumina support, and tested as catalysts experimentally under realistic conditions and by first-principles simulations at realistic coverage. Insitu GISAXS/TPRx demonstrates that the clusters do not sinter or deactivate even after prolonged exposure to reactants at high temperature, and present comparable, extremely high COox catalytic efficiency. Such high activity and stability are ascribed to a synergic role of Ag and Pt in ultranano-aggregates, in which Pt anchors the clusters to the support and binds and activates two CO molecules, while Ag binds and activates O-2, and Ag/Pt surface proximity disfavors poisoning by CO or oxidized species.

  17. Post-Newtonian Dynamics in Dense Star Clusters: Highly Eccentric, Highly Spinning, and Repeated Binary Black Hole Mergers.

    Science.gov (United States)

    Rodriguez, Carl L; Amaro-Seoane, Pau; Chatterjee, Sourav; Rasio, Frederic A

    2018-04-13

    We present models of realistic globular clusters with post-Newtonian dynamics for black holes. By modeling the relativistic accelerations and gravitational-wave emission in isolated binaries and during three- and four-body encounters, we find that nearly half of all binary black hole mergers occur inside the cluster, with about 10% of those mergers entering the LIGO/Virgo band with eccentricities greater than 0.1. In-cluster mergers lead to the birth of a second generation of black holes with larger masses and high spins, which, depending on the black hole natal spins, can sometimes be retained in the cluster and merge again. As a result, globular clusters can produce merging binaries with detectable spins regardless of the birth spins of black holes formed from massive stars. These second-generation black holes would also populate any upper mass gap created by pair-instability supernovae.

  18. Post-Newtonian Dynamics in Dense Star Clusters: Highly Eccentric, Highly Spinning, and Repeated Binary Black Hole Mergers

    Science.gov (United States)

    Rodriguez, Carl L.; Amaro-Seoane, Pau; Chatterjee, Sourav; Rasio, Frederic A.

    2018-04-01

    We present models of realistic globular clusters with post-Newtonian dynamics for black holes. By modeling the relativistic accelerations and gravitational-wave emission in isolated binaries and during three- and four-body encounters, we find that nearly half of all binary black hole mergers occur inside the cluster, with about 10% of those mergers entering the LIGO/Virgo band with eccentricities greater than 0.1. In-cluster mergers lead to the birth of a second generation of black holes with larger masses and high spins, which, depending on the black hole natal spins, can sometimes be retained in the cluster and merge again. As a result, globular clusters can produce merging binaries with detectable spins regardless of the birth spins of black holes formed from massive stars. These second-generation black holes would also populate any upper mass gap created by pair-instability supernovae.

  19. 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; Amad, Maan H.; Al-Talla, Zeyad

    2012-01-01

    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

  20. Determination of polycyclic aromatic hydrocarbons and their nitrated derivatives in Diesel soot by gas chromatography and high resolution mass spectrometry

    International Nuclear Information System (INIS)

    Remberg, G.

    1998-11-01

    Periodical monitoring of the exposure levels towards chemical hazards is an important issue of occupational safety and health. Some constituents of diesel exhaust emissions, like polycyclic aromatic hydrocarbons and their nitrated derivatives, have attracted special attention due to their carcinogenic and partly mutagenic properties. Therefore, the present work focused on the development of new methodical aspects for the determination of these substances in diesel particulate matter. In the first stage of this study the essential gas chromatographic and mass spectrometric characteristics of 51 authentic PAH and NPAH single standards have been investigated. A retention index system on DB-5 type capillary columns has been established in order to facilitate the identification of these target compounds in complex matrices. Before choosing proper MID quantification ions the full scan (+)EI- and ECNCI-mass spectra of all standards were acquired. The GC-(+)EI-MS detection limits of three NPAH were determined with different mass spectrometric modes (i.e. LR/full scan, LR/MID and HR/MID), being in the range of a few picograms in the latter mode. The use of large volume injection in conjunction with a PTV for PAH/NPAH trace analysis was studied and optimized for an injection volume of up to nine microliters. Extraction of diesel soot with dichloromethane was performed in accordance with US EPA method 3545 by means of accelerated solvent extraction, which takes significantly less than one hour. Gas chromatographic investigations on such extracts with various detectors of different selectivity (i.e. FID, LRMS and HRMS) showed the exclusive capability of high mass spectral resolution (about R ∼10000) to differentiate between analytes and matrix components. On the basis of these preliminary results an operating procedure was proposed. Its key-elements are accelerated solvent extraction of the sample and analysis of the resulting solution by means of GC-(+)EI-HRMS followed by

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

    International Nuclear Information System (INIS)

    Portet-Koltalo, F.; Oukebdane, K.; Dionnet, F.; Desbene, P.L.

    2009-01-01

    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 o 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 limits

  2. Excited states of virtual clusters in a nucleus and the processes of quasi-elastic cluster knock-out at high energies

    International Nuclear Information System (INIS)

    Golovanova, N.F.; Il'in, I.M.; Neudatchin, V.G.; Smirnov, Yu.F.; Tchuvil'sky, Yu.M.

    1976-01-01

    The quasi-elastic knock-out of nucleon clusters from nuclei by an incident high-energy hadron is considered within the framework of the Glauber-Sitenko multiple scattering theory. It is shown that the significant contribution to the cross section for the process comes not only from the hadron elastic scattering by a nonexcited virtual cluster but also from collisions with an excited virtual cluster, accompanied by de-excitation of this cluster. This necessitates modification of the usual theory of quasi-elastic cluster knock-out. First, the angular correlations of the knocked-out cluster and scattered hadron are no longer determined by the momentum distribution of the cluster in the nucleus. They are determined by another form factor F(q) which can be called the modified momentum distribution. Secondly, the meaning and values of the effective numbers of clusters Nsup(eff) have been changed. Thirdly, the characteristics of the processes depend not only on the modulus of momentum q, which the cluster had in the nucleus, but also on its direction relative to an incident beam. A method has been developed for the calculation of the fractional parentage coefficients, which are necessary for the calculation of the cluster knock-out from the p-shell nuclei. (Auth.)

  3. The high pressure liquid chromatography and its application to the separation of polynuclear aromatic hydrocarbons in atmospheric dust and burning residues

    International Nuclear Information System (INIS)

    Lopez, M.-C.

    1975-09-01

    A new technique of analysis is described: the high speed liquid chromatography or more exactly the high performance liquid chromatography because of the progress achieved on the new packings of the columns. The main types of chromatography, according to the phenomena involved are described: adsorption, partition, ion-exchange and exclusion chromatography. A brief outline is given of the theory for determination of stationary and mobile phases in order to obtain the optimum conditions of separation. Some exemples of possible applications are given, particularly the use of this technique for the separation of polycyclic aromatic hydrocarbons in atmospheric pollution and burning residues [fr

  4. The first high resolution image of coronal gas in a starbursting cool core cluster

    Science.gov (United States)

    Johnson, Sean

    2017-08-01

    Galaxy clusters represent a unique laboratory for directly observing gas cooling and feedback due to their high masses and correspondingly high gas densities and temperatures. Cooling of X-ray gas observed in 1/3 of clusters, known as cool-core clusters, should fuel star formation at prodigious rates, but such high levels of star formation are rarely observed. Feedback from active galactic nuclei (AGN) is a leading explanation for the lack of star formation in most cool clusters, and AGN power is sufficient to offset gas cooling on average. Nevertheless, some cool core clusters exhibit massive starbursts indicating that our understanding of cooling and feedback is incomplete. Observations of 10^5 K coronal gas in cool core clusters through OVI emission offers a sensitive means of testing our understanding of cooling and feedback because OVI emission is a dominant coolant and sensitive tracer of shocked gas. Recently, Hayes et al. 2016 demonstrated that synthetic narrow-band imaging of OVI emission is possible through subtraction of long-pass filters with the ACS+SBC for targets at z=0.23-0.29. Here, we propose to use this exciting new technique to directly image coronal OVI emitting gas at high resolution in Abell 1835, a prototypical starbursting cool-core cluster at z=0.252. Abell 1835 hosts a strong cooling core, massive starburst, radio AGN, and at z=0.252, it offers a unique opportunity to directly image OVI at hi-res in the UV with ACS+SBC. With just 15 orbits of ACS+SBC imaging, the proposed observations will complete the existing rich multi-wavelength dataset available for Abell 1835 to provide new insights into cooling and feedback in clusters.

  5. Genetic Diversity of Aromatic Rice Germplasm Revealed By SSR Markers

    Directory of Open Access Journals (Sweden)

    Saba Jasim Aljumaili

    2018-01-01

    Full Text Available Aromatic rice cultivars constitute a small but special group of rice and are considered the best in terms of quality and aroma. Aroma is one of the most significant quality traits of rice, and variety with aroma has a higher price in the market. This research was carried out to study the genetic diversity among the 50 aromatic rice accessions from three regions (Peninsular Malaysia, Sabah, and Sarawak with 3 released varieties as a control using the 32 simple sequence repeat (SSR markers. The objectives of this research were to quantify the genetic divergence of aromatic rice accessions using SSR markers and to identify the potential accessions for introgression into the existing rice breeding program. Genetic diversity index among the three populations such as Shannon information index (I ranged from 0.25 in control to 0.98 in Sabah population. The mean numbers of effective alleles and Shannon’s information index were 0.36 and 64.90%, respectively. Similarly, the allelic diversity was very high with mean expected heterozygosity (He of 0.60 and mean Nei’s gene diversity index of 0.36. The dendrogram based on UPGMA and Nei’s genetic distance classified the 53 rice accessions into 10 clusters. Analysis of molecular variance (AMOVA revealed that 89% of the total variation observed in this germplasm came from within the populations, while 11% of the variation emanated among the populations. These results reflect the high genetic differentiation existing in this aromatic rice germplasm. Using all these criteria and indices, seven accessions (Acc9993, Acc6288, Acc6893, Acc7580, Acc6009, Acc9956, and Acc11816 from three populations have been identified and selected for further evaluation before introgression into the existing breeding program and for future aromatic rice varietal development.

  6. Genetic Diversity of Aromatic Rice Germplasm Revealed By SSR Markers.

    Science.gov (United States)

    Jasim Aljumaili, Saba; Rafii, M Y; Latif, M A; Sakimin, Siti Zaharah; Arolu, Ibrahim Wasiu; Miah, Gous

    2018-01-01

    Aromatic rice cultivars constitute a small but special group of rice and are considered the best in terms of quality and aroma. Aroma is one of the most significant quality traits of rice, and variety with aroma has a higher price in the market. This research was carried out to study the genetic diversity among the 50 aromatic rice accessions from three regions (Peninsular Malaysia, Sabah, and Sarawak) with 3 released varieties as a control using the 32 simple sequence repeat (SSR) markers. The objectives of this research were to quantify the genetic divergence of aromatic rice accessions using SSR markers and to identify the potential accessions for introgression into the existing rice breeding program. Genetic diversity index among the three populations such as Shannon information index ( I ) ranged from 0.25 in control to 0.98 in Sabah population. The mean numbers of effective alleles and Shannon's information index were 0.36 and 64.90%, respectively. Similarly, the allelic diversity was very high with mean expected heterozygosity ( H e ) of 0.60 and mean Nei's gene diversity index of 0.36. The dendrogram based on UPGMA and Nei's genetic distance classified the 53 rice accessions into 10 clusters. Analysis of molecular variance (AMOVA) revealed that 89% of the total variation observed in this germplasm came from within the populations, while 11% of the variation emanated among the populations. These results reflect the high genetic differentiation existing in this aromatic rice germplasm. Using all these criteria and indices, seven accessions (Acc9993, Acc6288, Acc6893, Acc7580, Acc6009, Acc9956, and Acc11816) from three populations have been identified and selected for further evaluation before introgression into the existing breeding program and for future aromatic rice varietal development.

  7. Genetic Diversity of Aromatic Rice Germplasm Revealed By SSR Markers

    Science.gov (United States)

    Jasim Aljumaili, Saba; Sakimin, Siti Zaharah; Arolu, Ibrahim Wasiu; Miah, Gous

    2018-01-01

    Aromatic rice cultivars constitute a small but special group of rice and are considered the best in terms of quality and aroma. Aroma is one of the most significant quality traits of rice, and variety with aroma has a higher price in the market. This research was carried out to study the genetic diversity among the 50 aromatic rice accessions from three regions (Peninsular Malaysia, Sabah, and Sarawak) with 3 released varieties as a control using the 32 simple sequence repeat (SSR) markers. The objectives of this research were to quantify the genetic divergence of aromatic rice accessions using SSR markers and to identify the potential accessions for introgression into the existing rice breeding program. Genetic diversity index among the three populations such as Shannon information index (I) ranged from 0.25 in control to 0.98 in Sabah population. The mean numbers of effective alleles and Shannon's information index were 0.36 and 64.90%, respectively. Similarly, the allelic diversity was very high with mean expected heterozygosity (He) of 0.60 and mean Nei's gene diversity index of 0.36. The dendrogram based on UPGMA and Nei's genetic distance classified the 53 rice accessions into 10 clusters. Analysis of molecular variance (AMOVA) revealed that 89% of the total variation observed in this germplasm came from within the populations, while 11% of the variation emanated among the populations. These results reflect the high genetic differentiation existing in this aromatic rice germplasm. Using all these criteria and indices, seven accessions (Acc9993, Acc6288, Acc6893, Acc7580, Acc6009, Acc9956, and Acc11816) from three populations have been identified and selected for further evaluation before introgression into the existing breeding program and for future aromatic rice varietal development. PMID:29736396

  8. 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.

  9. 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

  10. FLOCK cluster analysis of mast cell event clustering by high-sensitivity flow cytometry predicts systemic mastocytosis.

    Science.gov (United States)

    Dorfman, David M; LaPlante, Charlotte D; Pozdnyakova, Olga; Li, Betty

    2015-11-01

    In our high-sensitivity flow cytometric approach for systemic mastocytosis (SM), we identified mast cell event clustering as a new diagnostic criterion for the disease. To objectively characterize mast cell gated event distributions, we performed cluster analysis using FLOCK, a computational approach to identify cell subsets in multidimensional flow cytometry data in an unbiased, automated fashion. FLOCK identified discrete mast cell populations in most cases of SM (56/75 [75%]) but only a minority of non-SM cases (17/124 [14%]). FLOCK-identified mast cell populations accounted for 2.46% of total cells on average in SM cases and 0.09% of total cells on average in non-SM cases (P < .0001) and were predictive of SM, with a sensitivity of 75%, a specificity of 86%, a positive predictive value of 76%, and a negative predictive value of 85%. FLOCK analysis provides useful diagnostic information for evaluating patients with suspected SM, and may be useful for the analysis of other hematopoietic neoplasms. Copyright© by the American Society for Clinical Pathology.

  11. Reduced Graphene Oxide-Hybridized Polymeric High-Internal Phase Emulsions for Highly Efficient Removal of Polycyclic Aromatic Hydrocarbons from Water Matrix.

    Science.gov (United States)

    Huang, Yipeng; Zhang, Wenjuan; Ruan, Guihua; Li, Xianxian; Cong, Yongzheng; Du, Fuyou; Li, Jianping

    2018-03-27

    Reduced graphene oxide (RGO)-hybridized polymeric high-internal phase emulsions (RGO/polyHIPEs) with an open-cell structure and hydrophobicity have been successfully prepared using 2-ethylhexyl acrylate and ethylene glycol dimethacrylate as the monomer and the cross-linker, respectively. The adsorption mechanism and performance of this RGO/polyHIPEs to polycyclic aromatic hydrocarbons (PAHs) were investigated. Adsorption isotherms of PAHs on RGO/polyHIPEs show that the saturated adsorption capacity is 47.5 mg/g and the equilibrium time is 8 h. Cycling tests show that the adsorption capacity of RGO/polyHIPEs remains stable in 10 adsorption-desorption cycles without observable structure change in RGO/polyHIPEs. Moreover, the PAH residues in water samples after being purified by RGO/polyHIPEs are lower than the limit values in drinking water set by the European Food Safety Authority. These results demonstrate that the RGO/polyHIPEs have great potentiality in PAH removal and water purification.

  12. The dynamics of cyclone clustering in re-analysis and a high-resolution climate model

    Science.gov (United States)

    Priestley, Matthew; Pinto, Joaquim; Dacre, Helen; Shaffrey, Len

    2017-04-01

    Extratropical cyclones have a tendency to occur in groups (clusters) in the exit of the North Atlantic storm track during wintertime, potentially leading to widespread socioeconomic impacts. The Winter of 2013/14 was the stormiest on record for the UK and was characterised by the recurrent clustering of intense extratropical cyclones. This clustering was associated with a strong, straight and persistent North Atlantic 250 hPa jet with Rossby wave-breaking (RWB) on both flanks, pinning the jet in place. Here, we provide for the first time an analysis of all clustered events in 36 years of the ERA-Interim Re-analysis at three latitudes (45˚ N, 55˚ N, 65˚ N) encompassing various regions of Western Europe. The relationship between the occurrence of RWB and cyclone clustering is studied in detail. Clustering at 55˚ N is associated with an extended and anomalously strong jet flanked on both sides by RWB. However, clustering at 65(45)˚ N is associated with RWB to the south (north) of the jet, deflecting the jet northwards (southwards). A positive correlation was found between the intensity of the clustering and RWB occurrence to the north and south of the jet. However, there is considerable spread in these relationships. Finally, analysis has shown that the relationships identified in the re-analysis are also present in a high-resolution coupled global climate model (HiGEM). In particular, clustering is associated with the same dynamical conditions at each of our three latitudes in spite of the identified biases in frequency and intensity of RWB.

  13. Ionization and fragmentation of water clusters by fast highly charged ions

    International Nuclear Information System (INIS)

    Adoui, L; Cassimi, A; Gervais, B; Grandin, J-P; Guillaume, L; Maisonny, R; Legendre, S; Tarisien, M; Lopez-Tarifa, P; Alcami, M; Martin, F; Politis, M-F; Penhoat, M-A Herve du; Vuilleumier, R; Gaigeot, M-P; Tavernelli, I

    2009-01-01

    We study the dissociative ionization of water clusters by impact of 12 MeV/u Ni 25+ ions. Cold target recoil ion momentum spectroscopy (COLTRIMS) is used to obtain information about stability, energetics and charge mobility of the ionized water clusters. An unusual stability of the H 9 O + 4 ion is observed, which could be the signature of the so-called Eigen structure in gas-phase water clusters. From the analysis of coincidences between charged fragments, we conclude that charge mobility is very high and is responsible for the formation of protonated water clusters, (H 2 O) n H + , that dominate the mass spectrum. These results are supported by Car-Parrinello molecular dynamics and time-dependent density functional theory simulations, which also reveal the mechanisms of such mobility.

  14. Ionized-cluster source based on high-pressure corona discharge

    International Nuclear Information System (INIS)

    Lokuliyanage, K.; Huber, D.; Zappa, F.; Scheier, P.

    2006-01-01

    Full text: It has been demonstrated that energetic beams of large clusters, with thousands of atoms, can be a powerful tool for surface modification. Normally ionized cluster beams are obtained by electron impact on neutral beams produced in a supersonic expansion. At the University of Innsbruck we are pursuing the realization of a high current cluster ion source based on the corona discharge.The idea in the present case is that the ionization should occur prior to the supersonic expansion, thus supersede the need of subsequent electron impact. In this contribution we present the project of our source in its initial stage. The intensity distribution of cluster sizes as a function of the source parameters, such as input pressure, temperature and gap voltage, are investigated with the aid of a custom-built time of flight mass spectrometer. (author)

  15. High-order harmonic generation in clusters irradiated by an infrared laser field of moderate intensity

    International Nuclear Information System (INIS)

    Zaretsky, D F; Korneev, Ph; Becker, W

    2010-01-01

    Extending the Lewenstein model of high-order harmonic generation (HHG) in a laser-irradiated atom, a model of HHG in a cluster is formulated. The constituent atoms of the cluster are assumed to be partly ionized. An electron freed through tunnelling may recombine either with its parent ion or with another ion in the vicinity. Harmonics due to the former process are coherent within the same cluster and may be coherent between different clusters, while harmonics due to the latter process are incoherent. Depending on the density of available ions, the incoherent mechanism may dominate the total harmonic yield, and the harmonic spectrum, which extends to higher energies, has a less distinct cutoff and an enhanced low-energy part.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. A Fast General-Purpose Clustering Algorithm Based on FPGAs for High-Throughput Data Processing

    CERN Document Server

    Annovi, A; The ATLAS collaboration; Castegnaro, A; Gatta, M

    2012-01-01

    We present a fast general-purpose algorithm for high-throughput clustering of data ”with a two dimensional organization”. The algorithm is designed to be implemented with FPGAs or custom electronics. The key feature is a processing time that scales linearly with the amount of data to be processed. This means that clustering can be performed in pipeline with the readout, without suffering from combinatorial delays due to looping multiple times through all the data. This feature makes this algorithm especially well suited for problems where the data has high density, e.g. in the case of tracking devices working under high-luminosity condition such as those of LHC or Super-LHC. The algorithm is organized in two steps: the first step (core) clusters the data; the second step analyzes each cluster of data to extract the desired information. The current algorithm is developed as a clustering device for modern high-energy physics pixel detectors. However, the algorithm has much broader field of applications. In ...

  1. Clusters of PCS for high-speed computation for modelling of the climate

    International Nuclear Information System (INIS)

    Pabon C, Jose Daniel; Eslava R, Jesus Antonio; Montoya G, Gerardo de Jesus

    2001-01-01

    In order to create high speed computing capability, the Program of Post grade in Meteorology of the Department of Geosciences, National University of Colombia installed a cluster of 8 PCs for parallel processing. This high-speed processing machine was tested with the Climate Community Model (CCM3). In this paper, the results related to the performance of this machine are presented

  2. Development of short and highly potent self-assembling elastin-derived pentapeptide repeats containing aromatic amino acid residues.

    Science.gov (United States)

    Taniguchi, Suguru; Watanabe, Noriko; Nose, Takeru; Maeda, Iori

    2016-01-01

    Tropoelastin is the primary component of elastin, which forms the elastic fibers that make up connective tissues. The hydrophobic domains of tropoelastin are thought to mediate the self-assembly of elastin into fibers, and the temperature-mediated self-assembly (coacervation) of one such repetitive peptide sequence (VPGVG) has been utilized in various bio-applications. To elucidate a mechanism for coacervation activity enhancement and to develop more potent coacervatable elastin-derived peptides, we synthesized two series of peptide analogs containing an aromatic amino acid, Trp or Tyr, in addition to Phe-containing analogs and tested their functional characteristics. Thus, position 1 of the hydrophobic pentapeptide repeat of elastin (X(1)P(2)G(3)V(4)G(5)) was substituted by Trp or Tyr. Eventually, we acquired a novel, short Trp-containing elastin-derived peptide analog (WPGVG)3 with potent coacervation ability. From the results obtained during this process, we determined the importance of aromaticity and hydrophobicity for the coacervation potency of elastin-derived peptide analogs. Generally, however, the production of long-chain synthetic polypeptides in quantities sufficient for commercial use remain cost-prohibitive. Therefore, the identification of (WPGVG)3, which is a 15-mer short peptide consisting simply of five natural amino acids and shows temperature-dependent self-assembly activity, might serve as a foundation for the development of various kinds of biomaterials. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.

  3. Highly Stable Monocrystalline Silver Clusters for Plasmonic Applications

    DEFF Research Database (Denmark)

    Novikov, Sergey M.; Popok, Vladimir N.; Evlyukhin, Andrey B.

    2017-01-01

    Plasmonic sensor configurations utilizing localized plasmon resonances in silver nanostructures typically suffer from the rapid degradation of silver under ambient atmospheric conditions. In this work, we report on the fabrication and detailed characterization of ensembles of monocrystalline silver......-beam technique and characterized by linear spectroscopy, two-photon-excited photoluminescence, surface-enhanced Raman scattering microscopy, and transmission electron, helium ion, and atomic force microscopies. It is found that the fabricated ensembles of monocrystalline silver NPs preserve their plasmonic...... properties (monitored with optical spectroscopy) and strong field enhancements (revealed by surface-enhanced Raman spectroscopy) at least 5 times longer as compared to chemically synthesized silver NPs with similar sizes. The obtained results are of high practical relevance for the further development...

  4. The Broken Ring: Reduced Aromaticity in Lys-Trp Cations and High pH Tautomer Correlates with Lower Quantum Yield and Shorter Lifetimes

    Science.gov (United States)

    2015-01-01

    Several nonradiative processes compete with tryptophan fluorescence emission. The difficulty in spectral interpretation lies in associating specific molecular environmental features with these processes and thereby utilizing the fluorescence spectral data to identify the local environment of tryptophan. Here, spectroscopic and molecular modeling study of Lys-Trp dipeptide charged species shows that backbone-ring interactions are undistinguished. Instead, quantum mechanical ground state isosurfaces reveal variations in indole π electron distribution and density that parallel charge (as a function of pK1, pK2, and pKR) on the backbone and residues. A pattern of aromaticity-associated quantum yield and fluorescence lifetime changes emerges. Where quantum yield is high, isosurfaces have a charge distribution similar to the highest occupied molecular orbital (HOMO) of indole, which is the dominant fluorescent ground state of the 1La transition dipole moment. Where quantum yield is low, isosurface charge distribution over the ring is uneven, diminished, and even found off ring. At pH 13, the indole amine is deprotonated, and Lys-Trp quantum yield is extremely low due to tautomer structure that concentrates charge on the indole amine; the isosurface charge distribution bears scant resemblance to the indole HOMO. Such greatly diminished fluorescence has been observed for proteins where the indole nitrogen is hydrogen bonded, lending credence to the association of aromaticity changes with diminished quantum yield in proteins as well. Thus tryptophan ground state isosurfaces are an indicator of indole aromaticity, signaling the partition of excitation energy between radiative and nonradiative processes. PMID:24882092

  5. A Dissimilarity Measure for Clustering High- and Infinite Dimensional Data that Satisfies the Triangle Inequality

    Science.gov (United States)

    Socolovsky, Eduardo A.; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    The cosine or correlation measures of similarity used to cluster high dimensional data are interpreted as projections, and the orthogonal components are used to define a complementary dissimilarity measure to form a similarity-dissimilarity measure pair. Using a geometrical approach, a number of properties of this pair is established. This approach is also extended to general inner-product spaces of any dimension. These properties include the triangle inequality for the defined dissimilarity measure, error estimates for the triangle inequality and bounds on both measures that can be obtained with a few floating-point operations from previously computed values of the measures. The bounds and error estimates for the similarity and dissimilarity measures can be used to reduce the computational complexity of clustering algorithms and enhance their scalability, and the triangle inequality allows the design of clustering algorithms for high dimensional distributed data.

  6. Charge-sign-clustering observed in high-multiplicity, high-energy heavy-ion collisions

    International Nuclear Information System (INIS)

    Takahashi, Y.; Gregory, J.C.; Hayashi, T.

    1989-01-01

    Charge-sign distribution in 200 GeV/amu heavy-ion collisions is studied with the Magnetic-Interferometric-Emulsion-Chamber (MAGIC) for central collision events in 16 O + Pb and 32 S + Pb interactions. Charge-sign clustering is observed in most of the fully-analyzed events. A statistical 'run-test' is performed for each measured event, which shows significant deviation from a Gaussian distribution (0,1) expected for random-charge distribution. Candidates of charge clusters have 5 - 10 multiplicity of like-sign particles, and are often accompanied by opposite-sign clusters. Observed clustering of identical charges is more significant in the fragmentation region than in the central region. Two-particle Bose-Einstein interference and other effects are discussed for the run-test examination. (author)

  7. Catalytic Upgrading of Thermochemical Intermediates to Hydrocarbons: Conversion of Lignocellulosic Feedstocks to Aromatic Fuels and High Value Chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Cortright, Randy [Virent, Inc., Madison, WI (United States); Rozmiarek, Bob [Virent, Inc., Madison, WI (United States); Van Straten, Matt [Virent, Inc., Madison, WI (United States)

    2017-11-28

    The principal objective of this project was to develop a fully integrated catalytic process that efficiently converts lignocellulosic feedstocks (e.g. bagasse, corn stover, and loblolly pine) into aromatic-rich fuels and chemicals. Virent led this effort with key feedstock support from Iowa State University. Within this project, Virent leveraged knowledge of catalytic processing of sugars and biomass to investigate two liquefaction technologies (Reductive Catalytic Liquefaction (USA Patent No. 9,212,320, 2015) and Solvolysis (USA Patent No. 9,157,030, 2015) (USA Patent No. 9,157,031, 2015)) that take advantage of proprietary catalysts at temperatures less than 300°C in the presence of unique solvent molecules generated in-situ within the liquefaction processes.

  8. Development and optimization of methods for the radiofluorination of aromatic compounds with specific, high fluorine-18 activity

    International Nuclear Information System (INIS)

    Franken, K.

    1987-06-01

    The positron emitter fluorine-18 (T 1/2 = 110 min) is an ideal radionuclide for analogue tracers in positron emission tomography (PET). In this study the production of the electrophilic species [ 18 F]-F 2 , [ 18 F]-CH 3 CO 2 F and to some extent [ 18 F]-XeF 2 has been optimized with respect to yield and specific activity. Selectivity and reactivity of these species have been studied in simple aromatic model compounds. Fluorine was produced via the 20 Ne(d,α) 18 F reaction. The effect of target material, dimensions, amount of carrier (F 2 ), pressure, beam current and irradiation time was studied. Reactivity of [ 18 F]-F 2 and [ 18 F]-CH 3 CO 2 F with respect to hydrogen subsitution was systematically studied in a series of benzene derivatives (C 6 H 5 X, X = CF 3 , I, Br, CL, F, H, CH 3 , OCH 3 , OH) in various solvents (CHCl 3 , CFCl 3 , CH 3 CN, CH 3 OH, CF 3 COOH). The radiochemical yield of 18 F-for-H-substitution in the aromatic ring increased with increasing acceptor number (AN) of the solvent. The electrophilic nature of both fluorination agents was confirmed by a Hammett plot. As expected, [ 18 F]-CH 3 CO 2 F showed a higher selectivity than [ 18 F]-F 2 . Direct radiofluorination with [ 18 F]-F 2 and [ 18 F]-CH 3 CO 2 F was successfully applied to the biomolecules phenylalanine, tyrosine and DOPA. As potential methods for no-carrier-added (n.c.a.) radiofluorination some less common dediazoniation reactions were also studied. (orig./RB) [de

  9. Efficient coupling of high intensity short laser pulses into snow clusters

    Science.gov (United States)

    Palchan, T.; Pecker, S.; Henis, Z.; Eisenmann, S.; Zigler, A.

    2007-01-01

    Measurements of energy absorption of high intensity laser pulses in snow clusters are reported. Targets consisting of sapphire coated with snow nanoparticles were found to absorb more than 95% of the incident light compared to 50% absorption in flat sapphire targets.

  10. The high performance cluster computing system for BES offline data analysis

    International Nuclear Information System (INIS)

    Sun Yongzhao; Xu Dong; Zhang Shaoqiang; Yang Ting

    2004-01-01

    A high performance cluster computing system (EPCfarm) is introduced, which used for BES offline data analysis. The setup and the characteristics of the hardware and software of EPCfarm are described. The PBS, a queue management package, and the performance of EPCfarm is presented also. (authors)

  11. Asymmetric functional contributions of acidic and aromatic side chains in sodium channel voltage-sensor domains

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Elstone, Fisal D; Niciforovic, Ana P

    2014-01-01

    largely enigmatic. To this end, natural and unnatural side chain substitutions were made in the S2 hydrophobic core (HC), the extracellular negative charge cluster (ENC), and the intracellular negative charge cluster (INC) of the four VSDs of the skeletal muscle sodium channel isoform (NaV1......Voltage-gated sodium (NaV) channels mediate electrical excitability in animals. Despite strong sequence conservation among the voltage-sensor domains (VSDs) of closely related voltage-gated potassium (KV) and NaV channels, the functional contributions of individual side chains in Nav VSDs remain.......4). The results show that the highly conserved aromatic side chain constituting the S2 HC makes distinct functional contributions in each of the four NaV domains. No obvious cation-pi interaction exists with nearby S4 charges in any domain, and natural and unnatural mutations at these aromatic sites produce...

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

    International Nuclear Information System (INIS)

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

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Ammendola, R; Salamon, A; Salina, G [INFN Tor Vergata, Roma (Italy); Biagioni, A; Prezza, O; Cicero, F Lo; Lonardo, A; Paolucci, P S; Rossetti, D; Tosoratto, L; Vicini, P [INFN Roma, Roma (Italy); Simula, F [Sapienza Universita di Roma, Roma (Italy)

    2011-12-23

    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{sup Registered-Sign} FPGA, are provided.

  14. 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.

  15. How to build a high-performance compute cluster for the Grid

    CERN Document Server

    Reinefeld, A

    2001-01-01

    The success of large-scale multi-national projects like the forthcoming analysis of the LHC particle collision data at CERN relies to a great extent on the ability to efficiently utilize computing and data-storage resources at geographically distributed sites. Currently, much effort is spent on the design of Grid management software (Datagrid, Globus, etc.), while the effective integration of computing nodes has been largely neglected up to now. This is the focus of our work. We present a framework for a high- performance cluster that can be used as a reliable computing node in the Grid. We outline the cluster architecture, the management of distributed data and the seamless integration of the cluster into the Grid environment. (11 refs).

  16. Metallicity in galactic clusters from high signal-to-noise spectroscopy

    International Nuclear Information System (INIS)

    Boesgaard, A.M.

    1989-01-01

    High-quality spectroscopic data on selected F dwarfs in six Galactic clusters are used to determine global (Fe/H) values for the clusters. For the two youngest clusters, Pleiades and Alpha Per, the (Fe/H) values are solar: 0.017 + or - 0.055. The Hyades and Praesepe are slightly metal-enhanced at (Fe/H) = + 0.125 + or - 0.032, even though they are an order of magnitude older than the Pleiades. Coma and the UMa Group at the age of the Hyades are slightly metal-deficient with (Fe/H) = - 0.082 + or - 0.039. The lack of an age-metallicity relationship indicates that the enrichment and mixing in the Galactic disk have not been uniform on time scales less than a billion years. 39 references

  17. 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.

  18. 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.

  19. Genetic search for an optimal power flow solution from a high density cluster

    Energy Technology Data Exchange (ETDEWEB)

    Amarnath, R.V. [Hi-Tech College of Engineering and Technology, Hyderabad (India); Ramana, N.V. [JNTU College of Engineering, Jagityala (India)

    2008-07-01

    This paper proposed a novel method to solve optimal power flow (OPF) problems. The method is based on a genetic algorithm (GA) search from a High Density Cluster (GAHDC). The algorithm of the proposed method includes 3 stages, notably (1) a suboptimal solution is obtained via a conventional analytical method, (2) a high density cluster, which consists of other suboptimal data points from the first stage, is formed using a density-based cluster algorithm, and (3) a genetic algorithm based search is carried out for the exact optimal solution from a low population sized, high density cluster. The final optimal solution thoroughly satisfies the well defined fitness function. A standard IEEE 30-bus test system was considered for the simulation study. Numerical results were presented and compared with the results of other approaches. It was concluded that although there is not much difference in numerical values, the proposed method has the advantage of minimal computational effort and reduced CPU time. As such, the method would be suitable for online applications such as the present Optimal Power Flow problem. 24 refs., 2 tabs., 4 figs.

  20. Stochastic clustering of material surface under high-heat plasma load

    Science.gov (United States)

    Budaev, Viacheslav P.

    2017-11-01

    The results of a study of a surface formed by high-temperature plasma loads on various materials such as tungsten, carbon and stainless steel are presented. High-temperature plasma irradiation leads to an inhomogeneous stochastic clustering of the surface with self-similar granularity - fractality on the scale from nanoscale to macroscales. Cauliflower-like structure of tungsten and carbon materials are formed under high heat plasma load in fusion devices. The statistical characteristics of hierarchical granularity and scale invariance are estimated. They differ qualitatively from the roughness of the ordinary Brownian surface, which is possibly due to the universal mechanisms of stochastic clustering of material surface under the influence of high-temperature plasma.

  1. HIGH-RESOLUTION XMM-NEWTON SPECTROSCOPY OF THE COOLING FLOW CLUSTER A3112

    Energy Technology Data Exchange (ETDEWEB)

    Bulbul, G. Esra; Smith, Randall K.; Foster, Adam [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Cottam, Jean; Loewenstein, Michael; Mushotzky, Richard; Shafer, Richard, E-mail: ebulbul@cfa.harvard.edu [NASA Goddard Space Flight Center, Greenbelt, MD (United States)

    2012-03-01

    We examine high signal-to-noise XMM-Newton European Photon Imaging Camera (EPIC) and Reflection Grating Spectrometer (RGS) observations to determine the physical characteristics of the gas in the cool core and outskirts of the nearby rich cluster A3112. The XMM-Newton Extended Source Analysis Software data reduction and background modeling methods were used to analyze the XMM-Newton EPIC data. From the EPIC data, we find that the iron and silicon abundance gradients show significant increase toward the center of the cluster while the oxygen abundance profile is centrally peaked but has a shallower distribution than that of iron. The X-ray mass modeling is based on the temperature and deprojected density distributions of the intracluster medium determined from EPIC observations. The total mass of A3112 obeys the M-T scaling relations found using XMM-Newton and Chandra observations of massive clusters at r{sub 500}. The gas mass fraction f{sub gas} = 0.149{sup +0.036}{sub -0.032} at r{sub 500} is consistent with the seven-year Wilkinson Microwave Anisotropy Probe results. The comparisons of line fluxes and flux limits on the Fe XVII and Fe XVIII lines obtained from high-resolution RGS spectra indicate that there is no spectral evidence for cooler gas associated with the cluster with temperature below 1.0 keV in the central <38'' ({approx}52 kpc) region of A3112. High-resolution RGS spectra also yield an upper limit to the turbulent motions in the compact core of A3112 (206 km s{sup -1}). We find that the contribution of turbulence to total energy is less than 6%. This upper limit is consistent with the energy contribution measured in recent high-resolution simulations of relaxed galaxy clusters.

  2. Highly sensitive analysis of polycyclic aromatic hydrocarbons in environmental water with porous cellulose/zeolitic imidazolate framework-8 composite microspheres as a novel adsorbent coupled with high-performance liquid chromatography.

    Science.gov (United States)

    Liang, Xiaotong; Liu, Shengquan; Zhu, Rong; Xiao, Lixia; Yao, Shouzhuo

    2016-07-01

    In this work, novel cellulose/zeolitic imidazolate frameworks-8 composite microspheres have been successfully fabricated and utilized as sorbent for environmental polycyclic aromatic hydrocarbons efficient extraction and sensitive analysis. The composite microspheres were synthesized through the in situ hydrothermal growth of zeolitic imidazolate frameworks-8 on cellulose matrix, and exhibited favorable hierarchical structure with chemical composition as assumed through scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction patterns, and Brunauer-Emmett-Teller surface areas characterization. A robust and highly efficient method was then successfully developed with as-prepared composite microspheres as novel solid-phase extraction sorbent with optimum extraction conditions, such as sorbent amount, sample volume, extraction time, desorption conditions, volume of organic modifier, and ionic strength. The method exhibited high sensitivity with low limit of detection down to 0.1-1.0 ng/L and satisfactory linearity with correlation coefficients ranging from 0.9988 to 0.9999, as well as good recoveries of 66.7-121.2% with relative standard deviations less than 10% for environmental polycyclic aromatic hydrocarbons analysis. Thus, our method was convenient and efficient for polycyclic aromatic hydrocarbons extraction and detection, potential for future environmental water samples analysis. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. M31 GLOBULAR CLUSTER ABUNDANCES FROM HIGH-RESOLUTION, INTEGRATED-LIGHT SPECTROSCOPY

    International Nuclear Information System (INIS)

    Colucci, Janet E.; Bernstein, Rebecca A.; Cameron, Scott; McWilliam, Andrew; Cohen, Judith G.

    2009-01-01

    We report the first detailed chemical abundances for five globular clusters (GCs) in M31 from high-resolution (R ∼ 25,000) spectroscopy of their integrated light (IL). These GCs are the first in a larger set of clusters observed as part of an ongoing project to study the formation history of M31 and its GC population. The data presented here were obtained with the HIRES echelle spectrograph on the Keck I telescope and are analyzed using a new IL spectra analysis method that we have developed. In these clusters, we measure abundances for Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Y, and Ba, ages ≥10 Gyr, and a range in [Fe/H] of -0.9 to -2.2. As is typical of Milky Way GCs, we find these M31 GCs to be enhanced in the α-elements Ca, Si, and Ti relative to Fe. We also find [Mg/Fe] to be low relative to other [α/Fe], and [Al/Fe] to be enhanced in the IL abundances. These results imply that abundances of Mg, Al (and likely O, Na) recovered from IL do display the inter- and intra-cluster abundance variations seen in individual Milky Way GC stars, and that special care should be taken in the future in interpreting low- or high-resolution IL abundances of GCs that are based on Mg-dominated absorption features. Fe-peak and the neutron-capture elements Ba and Y also follow Milky Way abundance trends. We also present high-precision velocity dispersion measurements for all five M31 GCs, as well as independent constraints on the reddening toward the clusters from our analysis.

  4. 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. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. 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...

  6. GLOBULAR CLUSTER ABUNDANCES FROM HIGH-RESOLUTION, INTEGRATED-LIGHT SPECTROSCOPY. II. EXPANDING THE METALLICITY RANGE FOR OLD CLUSTERS AND UPDATED ANALYSIS TECHNIQUES

    Energy Technology Data Exchange (ETDEWEB)

    Colucci, Janet E.; Bernstein, Rebecca A.; McWilliam, Andrew [The Observatories of the Carnegie Institution for Science, 813 Santa Barbara St., Pasadena, CA 91101 (United States)

    2017-01-10

    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.

  7. 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.

  8. High resolution infrared spectra of Bulge Globular Clusters: Liller 1, NGC 6553, and Ter 5

    Science.gov (United States)

    Origlia, L.; Rich, R. M.; Castro, S. M.

    2001-12-01

    Using the NIRSPEC spectrograph at Keck II, we have obtained echelle spectra covering the range 1.5-1.8μ m for 2 of the brightest giants in Liller 1 and NGC 6553, old metal rich globular clusters in the Galactic bulge. We also report a preliminary analysis for two giants in the obscured bulge globular cluster Ter 5. We use spectrum synthesis for the abundance analysis, and find [Fe/H]=-0.3+/-0.2 and [O/H]=+0.3+/- 0.1 (from the OH lines) for the giants in Liller 1 and NGC 6553. We measure strong lines for the alpha elements Mg, Ca, and Si, but the lower sensitivity of these lines to abundance permits us to only state a general [α /Fe]=+0.3+/-0.2 dex. The composition of the clusters is similar to that of field stars in the bulge and is consistent with a scenario in which the clusters formed early, with rapid enrichment. Our iron abundance for NGC 6553 is poorly consistent with either the low or the high values recently reported in the literature, unless unusally large, or no α -element enhancements are adopted, respectively. We will also present an abundance analsyis for 2 giants in the highly reddened bulge cluster Ter 5, which appears to be near the Solar metallicity. R. Michael Rich acknowledges finacial support from grant AST-0098739, from the National Science Foundation. Data presented herein were obtained at the W.M.Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W.M. Keck Foundation. The authors gratefully acknowledge those of Hawaiian ancestry on whose sacred mountain we are privileged to be guests. Without their generous hospitality, none of the observations presented would have been possible.

  9. 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

  10. A High-precision Trigonometric Parallax to an Ancient Metal-poor Globular Cluster

    Science.gov (United States)

    Brown, T. M.; Casertano, S.; Strader, J.; Riess, A.; VandenBerg, D. A.; Soderblom, D. R.; Kalirai, J.; Salinas, R.

    2018-03-01

    Using the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST), we have obtained a direct trigonometric parallax for the nearest metal-poor globular cluster, NGC 6397. Although trigonometric parallaxes have been previously measured for many nearby open clusters, this is the first parallax for an ancient metal-poor population—one that is used as a fundamental template in many stellar population studies. This high-precision measurement was enabled by the HST/WFC3 spatial-scanning mode, providing hundreds of astrometric measurements for dozens of stars in the cluster and also for Galactic field stars along the same sightline. We find a parallax of 0.418 ± 0.013 ± 0.018 mas (statistical, systematic), corresponding to a true distance modulus of 11.89 ± 0.07 ± 0.09 mag (2.39 ± 0.07 ± 0.10 kpc). The V luminosity at the stellar main-sequence turnoff implies an absolute cluster age of 13.4 ± 0.7 ± 1.2 Gyr. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555. These observations are associated with programs GO-13817, GO-14336, and GO-14773.

  11. 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.

  12. Google Classroom and Open Clusters: An Authentic Science Research Project for High School Students

    Science.gov (United States)

    Johnson, Chelen H.; Linahan, Marcella; Cuba, Allison Frances; Dickmann, Samantha Rose; Hogan, Eleanor B.; Karos, Demetra N.; Kozikowski, Kendall G.; Kozikowski, Lauren Paige; Nelson, Samantha Brooks; O'Hara, Kevin Thomas; Ropinski, Brandi Lucia; Scarpa, Gabriella; Garmany, Catharine D.

    2016-01-01

    STEM education is about offering unique opportunities to our students. For the past three years, students from two high schools (Breck School in Minneapolis, MN, and Carmel Catholic High School in Mundelein, IL) have collaborated on authentic astronomy research projects. This past year they surveyed archival data of open clusters to determine if a clear turnoff point could be unequivocally determined. Age and distance to each open cluster were calculated. Additionally, students requested time on several telescopes to obtain original data to compare to the archival data. Students from each school worked in collaborative teams, sharing and verifying results through regular online hangouts and chats. Work papers were stored in a shared drive and on a student-designed Google site to facilitate dissemination of documents between the two schools.

  13. 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.

  14. 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. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. A highly accurate positioning and orientation system based on the usage of four-cluster fibre optic gyros

    International Nuclear Information System (INIS)

    Zhang, Xiaoyue; Lin, Zhili; Zhang, Chunxi

    2013-01-01

    A highly accurate positioning and orientation technique based on four-cluster fibre optic gyros (FOGs) is presented. The four-cluster FOG inertial measurement unit (IMU) comprises three low-precision FOGs, one static high-precision FOG and three accelerometers. To realize high-precision positioning and orientation, the static alignment (north-seeking) before vehicle manoeuvre was divided into a low-precision self-alignment phase and a high-precision north-seeking (online calibration) phase. The high-precision FOG measurement information was introduced to obtain high-precision azimuth alignment (north-seeking) result and achieve online calibration of the low-precision three-cluster FOG. The results of semi-physical simulation were presented to validate the availability and utility of the highly accurate positioning and orientation technique based on the four-cluster FOGs. (paper)

  16. 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. PMID:24401992

  17. Analysis of SCTP and TCP based communication in high-speed clusters

    International Nuclear Information System (INIS)

    Kozlovszky, M.; Berceli, T.; Kutor, L.

    2006-01-01

    Performance and financial constraints are pushing modern DAQs (Data Acquisition Systems) to use distributed cluster environments instead of monolith one-box systems. Inside clusters application communication layers should support outstanding high performance requirements. We are currently investigating different network protocols that could meet the requirements of high speed/low latency peer-to-peer communication within DAQ clusters. We have carried out various performance measurements with TCP and SCTP over Fast and Gigabit Ethernet. We are focusing on Ethernet Technologies, because this transport medium is broad deployed, cost efficient and it has much better cost/throughput ratio than other available communication alternatives (e.g.: Myrinet, Infiniband). During this study, a protocol performance measurement application with different peer transport components has been developed. In the first part of the paper, we give a short comparison of the two protocols (SCTP and TCP), and an introduction of the transport layer structure developed. Later on we discuss the performance results of single/multi-stream peer-to-peer communication, give overview about application code transition possibilities from application developer point of view between the two protocols, and draw conclusions about usability

  18. Sparse subspace clustering for data with missing entries and high-rank matrix completion.

    Science.gov (United States)

    Fan, Jicong; Chow, Tommy W S

    2017-09-01

    Many methods have recently been proposed for subspace clustering, but they are often unable to handle incomplete data because of missing entries. Using matrix completion methods to recover missing entries is a common way to solve the problem. Conventional matrix completion methods require that the matrix should be of low-rank intrinsically, but most matrices are of high-rank or even full-rank in practice, especially when the number of subspaces is large. In this paper, a new method called Sparse Representation with Missing Entries and Matrix Completion is proposed to solve the problems of incomplete-data subspace clustering and high-rank matrix completion. The proposed algorithm alternately computes the matrix of sparse representation coefficients and recovers the missing entries of a data matrix. The proposed algorithm recovers missing entries through minimizing the representation coefficients, representation errors, and matrix rank. Thorough experimental study and comparative analysis based on synthetic data and natural images were conducted. The presented results demonstrate that the proposed algorithm is more effective in subspace clustering and matrix completion compared with other existing methods. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. 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.

  20. Use of the Wilkinson catalyst for the ortho-C-H heteroarylation of aromatic amines: facile access to highly extended π-conjugated heteroacenes for organic semiconductors.

    Science.gov (United States)

    Huang, Yumin; Wu, Di; Huang, Jingsheng; Guo, Qiang; Li, Juan; You, Jingsong

    2014-11-03

    An unprecedented catalytic system composed of the Wilkinson catalyst [Rh(PPh3)3Cl] and CF3COOH enabled the highly regioselective cross-coupling of aromatic amines with a variety of heteroarenes through dual C-H bond cleavage. This protocol provided a facile and rapid route from readily available substrates to (2-aminophenyl)heteroaryl compounds, which may be conveniently transformed into highly extended π-conjugated heteroacenes. The experimental studies and calculations showed that thianaphtheno[3,2-b]indoles have large HOMO-LUMO energy gaps and low-lying HOMO levels, and could therefore potentially be high-performance organic semiconductors. Herein we report the first use of a rhodium(I) catalyst for oxidative C-H/C-H coupling reactions. The current innovative catalyst system is much less expensive than [RhCp*Cl2]2/AgSbF6 and could open the door for the application of this approach to other types of C-H activation processes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Chiral ligand exchange high-speed countercurrent chromatography: mechanism, application and comparison with conventional liquid chromatography in enantioseparation of aromatic α-hydroxyl acids

    Science.gov (United States)

    Tong, Shengqiang; Shen, Mangmang; Cheng, Dongping; Ito, Yoichiro; Yan, Jizhong

    2014-01-01

    This work concentrates on the separation mechanism and application of chiral ligand exchange high-speed countercurrent chromatography (HSCCC) in enantioseparations, and comparison with traditional chiral ligand exchange high performance liquid chromatography (HPLC). The enantioseparation of ten aromatic α-hydroxyl acids were performed by these two chromatographic methods. Results showed that five of the racemates were successfully enantioseparated by HSCCC while only three of the racemates could be enantioseparated by HPLC using a suitable chiral ligand mobile phase additive. For HSCCC, the two-phase solvent system was composed of butanol-water (1:1, v/v), to which N-n-dodecyl-L-proline was added in the organic phase as chiral ligand and cupric acetate was added in the aqueous phase as a transition metal ion. Various operation parameters in HSCCC were optimized by enantioselective liquid-liquid extraction. Based on the results of the present studies the separation mechanism for HSCCC was proposed. For HPLC, the optimized mobile phase composed of aqueous solution containing 6 mmol L−1 L-phenylalanine and 3 mmol L−1 cupric sulfate and methanol was used for enantioseparation. Among three ligands tested on a conventional reverse stationary phase column, only one was found to be effective. In the present studies HSCCC presented unique advantages due to its high versatility of two-phase solvent systems and it could be used as an alternative method for enantioseparations. PMID:25087742

  2. Long-term memory and volatility clustering in high-frequency price changes

    Science.gov (United States)

    oh, Gabjin; Kim, Seunghwan; Eom, Cheoljun

    2008-02-01

    We studied the long-term memory in diverse stock market indices and foreign exchange rates using Detrended Fluctuation Analysis (DFA). For all high-frequency market data studied, no significant long-term memory property was detected in the return series, while a strong long-term memory property was found in the volatility time series. The possible causes of the long-term memory property were investigated using the return data filtered by the AR(1) model, reflecting the short-term memory property, the GARCH(1,1) model, reflecting the volatility clustering property, and the FIGARCH model, reflecting the long-term memory property of the volatility time series. The memory effect in the AR(1) filtered return and volatility time series remained unchanged, while the long-term memory property diminished significantly in the volatility series of the GARCH(1,1) filtered data. Notably, there is no long-term memory property, when we eliminate the long-term memory property of volatility by the FIGARCH model. For all data used, although the Hurst exponents of the volatility time series changed considerably over time, those of the time series with the volatility clustering effect removed diminish significantly. Our results imply that the long-term memory property of the volatility time series can be attributed to the volatility clustering observed in the financial time series.

  3. A new experimental setup for high-pressure catalytic activity measurements on surface deposited mass-selected Pt clusters

    International Nuclear Information System (INIS)

    Watanabe, Yoshihide; Isomura, Noritake

    2009-01-01

    A new experimental setup to study catalytic and electronic properties of size-selected clusters on metal oxide substrates from the viewpoint of cluster-support interaction and to formulate a method for the development of heterogeneous catalysts such as automotive exhaust catalysts has been developed. The apparatus consists of a size-selected cluster source, a photoemission spectrometer, a scanning tunneling microscope (STM), and a high-pressure reaction cell. The high-pressure reaction cell measurements provided information on catalytic properties in conditions close to practical use. The authors investigated size-selected platinum clusters deposited on a TiO 2 (110) surface using a reaction cell and STM. Catalytic activity measurements showed that the catalytic activities have a cluster-size dependency.

  4. 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}.

  5. 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.; Applegate, D.; Dietrich, J. P.; Hoekstra, H.; Bocquet, S.; Gonzalez, A. H.; der Linden, A. von; 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.

    2017-10-14

    We present an HST/Advanced Camera for Surveys (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 Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey (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 concentration-mass relation using simulations. In combination with temperature estimates from Chandra we constrain the normalization of the mass-temperature scaling relation ln (E(z) M-500c/10(14)M(circle dot)) = A + 1.5ln (kT/7.2 keV) to A = 1.81(-0.14)(+0.24)(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(-1.8)(+3.7).

  6. Cluster mass calibration at high redshift: HST weak lensing analysis of 13 distant galaxy clusters from the South Pole Telescope Sunyaev-Zel'dovich Survey

    Science.gov (United States)

    Schrabback, T.; Applegate, D.; 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.

    2018-02-01

    We present an HST/Advanced Camera for Surveys (ACS) weak gravitational lensing analysis of 13 massive high-redshift (zmedian = 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 Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey (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 concentration-mass relation using simulations. In combination with temperature estimates from Chandra we constrain the normalization of the mass-temperature scaling relation ln (E(z)M500c/1014 M⊙) = A + 1.5ln (kT/7.2 keV) 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}.

  7. Occurrence of polycyclic aromatic hydrocarbons in surface sediments of a highly urbanized river system with special reference to energy consumption patterns

    International Nuclear Information System (INIS)

    Zhang Kai; Wang Jizhong; Liang Bo; Zeng, Eddy Y.

    2011-01-01

    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.

  8. 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. Keywords: Monoclonal antibody, PAH, Pore water, Biosensor, Pyrene

  9. FPGA cluster for high-performance AO real-time control system

    Science.gov (United States)

    Geng, Deli; Goodsell, Stephen J.; Basden, Alastair G.; Dipper, Nigel A.; Myers, Richard M.; Saunter, Chris D.

    2006-06-01

    Whilst the high throughput and low latency requirements for the next generation AO real-time control systems have posed a significant challenge to von Neumann architecture processor systems, the Field Programmable Gate Array (FPGA) has emerged as a long term solution with high performance on throughput and excellent predictability on latency. Moreover, FPGA devices have highly capable programmable interfacing, which lead to more highly integrated system. Nevertheless, a single FPGA is still not enough: multiple FPGA devices need to be clustered to perform the required subaperture processing and the reconstruction computation. In an AO real-time control system, the memory bandwidth is often the bottleneck of the system, simply because a vast amount of supporting data, e.g. pixel calibration maps and the reconstruction matrix, need to be accessed within a short period. The cluster, as a general computing architecture, has excellent scalability in processing throughput, memory bandwidth, memory capacity, and communication bandwidth. Problems, such as task distribution, node communication, system verification, are discussed.

  10. Ultrahigh gas storage both at low and high pressures in KOH-activated carbonized porous aromatic frameworks.

    KAUST Repository

    Li, Yanqiang; Ben, Teng; Zhang, Bingyao; Fu, Yao; Qiu, Shilun

    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.

  11. Formation of globular cluster candidates in merging proto-galaxies at high redshift: a view from the FIRE cosmological simulations

    Science.gov (United States)

    Kim, Ji-hoon; Ma, Xiangcheng; Grudić, Michael Y.; Hopkins, Philip F.; Hayward, Christopher C.; Wetzel, Andrew; Faucher-Giguère, Claude-André; Kereš, Dušan; Garrison-Kimmel, Shea; Murray, Norman

    2018-03-01

    Using a state-of-the-art cosmological simulation of merging proto-galaxies at high redshift from the FIRE project, with explicit treatments of star formation and stellar feedback in the interstellar medium, we investigate the formation of star clusters and examine one of the formation hypotheses of present-day metal-poor globular clusters. We find that frequent mergers in high-redshift proto-galaxies could provide a fertile environment to produce long-lasting bound star clusters. The violent merger event disturbs the gravitational potential and pushes a large gas mass of ≳ 105-6 M⊙ collectively to high density, at which point it rapidly turns into stars before stellar feedback can stop star formation. The high dynamic range of the reported simulation is critical in realizing such dense star-forming clouds with a small dynamical time-scale, tff ≲ 3 Myr, shorter than most stellar feedback time-scales. Our simulation then allows us to trace how clusters could become virialized and tightly bound to survive for up to ˜420 Myr till the end of the simulation. Because the cluster's tightly bound core was formed in one short burst, and the nearby older stars originally grouped with the cluster tend to be preferentially removed, at the end of the simulation the cluster has a small age spread.

  12. Enhancement of high-order harmonics in a plasma waveguide formed in clustered Ar gas.

    Science.gov (United States)

    Geng, Xiaotao; Zhong, Shiyang; Chen, Guanglong; Ling, Weijun; He, Xinkui; Wei, Zhiyi; Kim, Dong Eon

    2018-02-05

    Generation of high-order harmonics (HHs) is intensified by using a plasma waveguide created by a laser in a clustered gas jet. The formation of a plasma waveguide and the guiding of a laser beam are also demonstrated. Compared to the case without a waveguide, harmonics were strengthened up to nine times, and blue-shifted. Numerical simulation by solving the time-dependent Schrödinger equation in strong field approximation agreed well with experimental results. This result reveals that the strengthening is the result of improved phase matching and that the blue shift is a result of change in fundamental laser frequency due to self-phase modulation (SPM).

  13. Three exciting areas of experimental physical sciences : high temperature superconductors, metal clusters and super molecules of carbon

    International Nuclear Information System (INIS)

    Rao, C.N.

    1992-01-01

    The author has narrated his experience in carrying out research in three exciting areas of physical sciences. These areas are : high temperature superconductors, metal clusters and super molecules of carbon. (M.G.B.)

  14. Application of sunflower stalk-carbon nitride nanosheets as a green sorbent in the solid-phase extraction of polycyclic aromatic hydrocarbons followed by high-performance liquid chromatography.

    Science.gov (United States)

    Marzi Khosrowshahi, Elnaz; Razmi, Habib

    2018-02-08

    A green biocomposite of sunflower stalks and graphitic carbon nitride nanosheets has been applied as a solid-phase extraction adsorbent for sample preparation of five polycyclic aromatic hydrocarbons in different solutions using high-performance liquid chromatography with ultraviolet detection. Before the modification, sunflower stalks exhibited relatively low adsorption to the polycyclic aromatic hydrocarbons extraction. The modified sunflower stalks showed increased adsorption to the analytes extraction due to the increase in surface and existence of a π-π interaction between the analytes and graphitic carbon nitride nanosheets on the surface. Under the optimal conditions, the limits of detection and quantification for five polycyclic aromatic hydrocarbons compounds could reach 0.4-32 and 1.2-95 ng/L, respectively. The method accuracy was evaluated using recovery measurements in spiked real samples and good recoveries from 71 to 115% with relative standard deviations of polycyclic aromatic hydrocarbons determination in various samples-well water, tap water, soil, vegetable, and barbequed meat (kebab)-with analytes contents ranging from 0.065 to 13.3 μg/L. The prepared green composite as a new sorbent has some advantages including ease of preparation, low cost, and good reusability. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. 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.

  16. Understanding the stable boron clusters: A bond model and first-principles calculations based on high-throughput screening

    International Nuclear Information System (INIS)

    Xu, Shao-Gang; Liao, Ji-Hai; Zhao, Yu-Jun; Yang, Xiao-Bao

    2015-01-01

    The unique electronic property induced diversified structure of boron (B) cluster has attracted much interest from experimentalists and theorists. B 30–40 were reported to be planar fragments of triangular lattice with proper concentrations of vacancies recently. Here, we have performed high-throughput screening for possible B clusters through the first-principles calculations, including various shapes and distributions of vacancies. As a result, we have determined the structures of B n clusters with n = 30–51 and found a stable planar cluster of B 49 with a double-hexagon vacancy. Considering the 8-electron rule and the electron delocalization, a concise model for the distribution of the 2c–2e and 3c–2e bonds has been proposed to explain the stability of B planar clusters, as well as the reported B cages

  17. Validation of an analytical method for the determination of polycyclic aromatic hydrocarbons by high efficiency liquid chromatography in PM10 and PM2,5 particles

    International Nuclear Information System (INIS)

    Herrera Murillo, Jorge; Chaves Villalobos, Maria del Carmen

    2012-01-01

    An analytical method was validated for polycyclic aromatic hydrocarbons in PM10 and PM2,5 particles collected from air by high performance liquid chromatography (HPLC) was validated. The PAHs analyzed in the methodology include: Naphthalene, Acenaphthylene, Fluorene, Acenaphthene, Phenanthrene, Anthracene, fluoranthene, pyrene, Benzo (a)anthracene, Chrysene, Benzo (b)fluoranthene, Benzo (k)fluoranthene, Benzo (a)pyrene, Dibenzo (a, h)anthracene, Benzo (g, h, i)perylene and Indeno (1,2,3-CD)pyrene. For these compounds, the detection limit and quantification limit have been between 0,02 and 0,1 mg/l. An equipment DIONEX, ICS 3000 model is used, that has two in series detectors: one ultraviolet model VWD-1, and fluorescence detector, model RF-2000, separating the different absorption and emission signals for proper identification of individual compounds. For all the compounds analyzed, the recovery factor has found not significantly different from each other and the repeatability and reproducibility has been to be suitable for an analytical method, especially for the lighter PAHs. (author) [es

  18. 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

    2015-01-01

    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 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. PMID:26265155

  19. Seasonal variations and sources of atmospheric polycyclic aromatic hydrocarbons and organochlorine compounds in a high-altitude city: Evidence from four-year observations

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Ping; Wang, Xiaoping; Sheng, Jiujiang; Wang, Hailong; Yuan, Xiaohua; He, Yuanqing; Qian, Yun; Yao, Tandong

    2018-02-01

    Lijiang is a high-altitude city located on the eastern fringe of the Tibetan Plateau, with complex seasonal atmospheric circulations (i.e. westerly wind, Indian Monsoon, and East Asia Monsoon). Very few previous studies have focused on seasonal variations and sources of organic pollutants in Lijiang. In this study, a four-year air campaign from June 2009 to July 2013 was conducted to investigate the temporal trends and the sources of polycyclic aromatic hydrocarbons (PAHs) and organochlorine compounds [including organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs)]. The atmospheric PAH concentrations in winter are 2-3 times of those in summer, probably because of the combined result of enhanced local emission and long-range atmospheric transport (LRAT) during winter. Traffic pollution was the primary local source of PAHs, while biomass burning is the dominant LRAT source. Different from PAHs, OCPs and PCBs mainly underwent LRAT to reach Lijiang. The peak concentrations of most of OCPs occurred in pre-monsoon season and winter, which are carried by air masses from Myanmar and India through westerly winds. As compared with other sites of the Tibetan Plateau, without the direct barrier of the Himalaya, Lijiang is easily contaminated by the incursion of polluted air masses.

  20. Development of an analytical method for polycyclic aromatic hydrocarbons in coffee beverages and dark beer using novel high-sensitivity technique of supercritical fluid chromatography/mass spectrometry.

    Science.gov (United States)

    Yoshioka, Toshiaki; Nagatomi, Yasushi; Harayama, Koichi; Bamba, Takeshi

    2018-07-01

    Polycyclic aromatic hydrocarbons (PAHs) are carcinogenic substances that are mainly generated during heating in food; therefore, the European Union (EU) has regulated the amount of benzo[a]pyrene and PAH4 in various types of food. In addition, the Scientific Committee on Food of the EU and the Joint Food and Agriculture Organization/World Health Organization Expert Committee on Food Additives have recommended that 16 PAHs should be monitored. Since coffee beverages and dark beer are roasted during manufacture, monitoring these 16 PAHs is of great importance. On the other hand, supercritical fluid chromatography (SFC) is a separation method that has garnered attention in recent years as a complement for liquid and gas chromatography. Therefore, we developed a rapid high-sensitivity analytical method for the above-mentioned 16 PAHs in coffee beverages and dark beer involving supercritical fluid chromatography/atmospheric pressure chemical ionization-mass spectrometry (SFC/APCI-MS) and simple sample preparation. In this study, we developed a novel analytical technique that increased the sensitivity of MS detection by varying the back-pressure in SFC depending on the elution of PAHs. In addition, analysis of commercially available coffee and dark beer samples in Japan showed that the risk of containing the 16 PAHs may be low. Copyright © 2018 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  1. 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.

  2. 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.

  3. High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium

    Science.gov (United States)

    Schran, Christoph; Uhl, Felix; Behler, Jörg; Marx, Dominik

    2018-03-01

    The design of accurate helium-solute interaction potentials for the simulation of chemically complex molecules solvated in superfluid helium has long been a cumbersome task due to the rather weak but strongly anisotropic nature of the interactions. We show that this challenge can be met by using a combination of an effective pair potential for the He-He interactions and a flexible high-dimensional neural network potential (NNP) for describing the complex interaction between helium and the solute in a pairwise additive manner. This approach yields an excellent agreement with a mean absolute deviation as small as 0.04 kJ mol-1 for the interaction energy between helium and both hydronium and Zundel cations compared with coupled cluster reference calculations with an energetically converged basis set. The construction and improvement of the potential can be performed in a highly automated way, which opens the door for applications to a variety of reactive molecules to study the effect of solvation on the solute as well as the solute-induced structuring of the solvent. Furthermore, we show that this NNP approach yields very convincing agreement with the coupled cluster reference for properties like many-body spatial and radial distribution functions. This holds for the microsolvation of the protonated water monomer and dimer by a few helium atoms up to their solvation in bulk helium as obtained from path integral simulations at about 1 K.

  4. Effect of high hydrostatic pressure on small oxygen-related clusters in silicon: LVM studies

    International Nuclear Information System (INIS)

    Murin, L.I.; Lindstroem, J.L.; Misiuk, A.

    2003-01-01

    Local vibrational mode (LVM) spectroscopy is used to explore the effect of high hydrostatic pressure (HP) on the formation of small oxygen-related clusters (dimers, trimers, thermal donors, and C-O complexes) at 450 deg. C and 650 deg. C in Cz-Si crystals with different impurity content and prehistory. It is found, in agreement with previous studies, that HP enhances the oxygen clustering in Cz-Si at elevated temperatures. The effect of HP is related mainly to enhancement in the diffusivity of single oxygen atoms and small oxygen aggregates. HP does not noticeably increase the binding energies of the most simple oxygen related complexes like O 2i , C s O ni . The biggest HP effect on the thermal double donor (TDDs) generation is revealed in hydrogenated samples. Heat-treatment of such samples at 450 deg. C under HP results in extremely high TDD introduction rates as well as in a strong increase in the concentration of the first TDD species

  5. Spectrofluorimetric study of the aromatic carbohydrates of Noriisk petroleum

    Energy Technology Data Exchange (ETDEWEB)

    Alekseeva, T.A.; Lekveishvili, E.G.; Melikadze, L.D.; Teplitskaia, T.A.; Tevdorashvili, M.N.

    1979-01-01

    Investigation was made of the specimens of aromatic hydrocarbons which were produced by photochemical decomposition of the products of photocondensation with maleicanhydride of narrow aromatic fractions separated by a system of methods from a high temperature part of Noriisk petroleum. Use was made of a standard spectrofluorimeter of low resolution. A series of aromatic hydrocarbons, naphthalene, benzofluorene, phenantrene, chrizene, pyrene, tetraphene, and 3,4-benzophenantrene were installed in the machine.

  6. A Facile Synthesis of Graphene-WO3 Nanowire Clusters with High Photocatalytic Activity for O2 Evolution

    Directory of Open Access Journals (Sweden)

    M.-J. Zhou

    2014-01-01

    Full Text Available In the present work, graphene-WO3 nanowire clusters were synthesized via a facile hydrothermal method. The obtained graphene-WO3 nanowire clusters were characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, X-ray photoelectron spectroscopy (XPS, Fourier transform infrared spectroscopy (FT-IR, Raman spectroscopy, and ultraviolet-visible diffuse reflectance spectroscopy (DRS techniques. The photocatalytic oxygen (O2 evolution properties of the as-synthesized samples were investigated by measuring the amount of evolved O2 from water splitting. The graphene-WO3 nanowire clusters exhibited enhanced performance compared to pure WO3 nanowire clusters for O2 evolution. The amount of evolved O2 from water splitting after 8 h for the graphene-WO3 nanowire clusters is ca. 0.345 mmol/L, which is more than 1.9 times as much as that of the pure WO3 nanowire clusters (ca. 0.175 mmol/L. The high photocatalytic activity of the graphene-WO3 nanowire clusters was attributed to a high charge transfer rate in the presence of graphene.

  7. Operational mesoscale atmospheric dispersion prediction using high performance parallel computing cluster for emergency response

    International Nuclear Information System (INIS)

    Srinivas, C.V.; Venkatesan, R.; Muralidharan, N.V.; Das, Someshwar; Dass, Hari; Eswara Kumar, P.

    2005-08-01

    An operational atmospheric dispersion prediction system is implemented on a cluster super computer for 'Online Emergency Response' for Kalpakkam nuclear site. The numerical system constitutes a parallel version of a nested grid meso-scale meteorological model MM5 coupled to a random walk particle dispersion model FLEXPART. The system provides 48 hour forecast of the local weather and radioactive plume dispersion due to hypothetical air borne releases in a range of 100 km around the site. The parallel code was implemented on different cluster configurations like distributed and shared memory systems. Results of MM5 run time performance for 1-day prediction are reported on all the machines available for testing. A reduction of 5 times in runtime is achieved using 9 dual Xeon nodes (18 physical/36 logical processors) compared to a single node sequential run. Based on the above run time results a cluster computer facility with 9-node Dual Xeon is commissioned at IGCAR for model operation. The run time of a triple nested domain MM5 is about 4 h for 24 h forecast. The system has been operated continuously for a few months and results were ported on the IMSc home page. Initial and periodic boundary condition data for MM5 are provided by NCMRWF, New Delhi. An alternative source is found to be NCEP, USA. These two sources provide the input data to the operational models at different spatial and temporal resolutions and using different assimilation methods. A comparative study on the results of forecast is presented using these two data sources for present operational use. Slight improvement is noticed in rainfall, winds, geopotential heights and the vertical atmospheric structure while using NCEP data probably because of its high spatial and temporal resolution. (author)

  8. 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......Electronic band structure calculations of InAlN and InGaN under pressure are presented for two different arrangements of the In atoms, uniform and clustered. The band gap pressure coefficients exhibit strong bowing, and the effect is especially large when indium atoms are clustered. The theoretical...

  9. Equation-of-motion coupled cluster method for high spin double electron attachment calculations

    Energy Technology Data Exchange (ETDEWEB)

    Musiał, Monika, E-mail: musial@ich.us.edu.pl; Lupa, Łukasz; Kucharski, Stanisław A. [Institute of Chemistry, University of Silesia, Szkolna 9, 40-006 Katowice (Poland)

    2014-03-21

    The new formulation of the equation-of-motion (EOM) coupled cluster (CC) approach applicable to the calculations of the double electron attachment (DEA) states for the high spin components is proposed. The new EOM equations are derived for the high spin triplet and quintet states. In both cases the new equations are easier to solve but the substantial simplification is observed in the case of quintets. Out of 21 diagrammatic terms contributing to the standard DEA-EOM-CCSDT equations for the R{sub 2} and R{sub 3} amplitudes only four terms survive contributing to the R{sub 3} part. The implemented method has been applied to the calculations of the excited states (singlets, triplets, and quintets) energies of the carbon and silicon atoms and potential energy curves for selected states of the Na{sub 2} (triplets) and B{sub 2} (quintets) molecules.

  10. Mean Occupation Function of High-redshift Quasars from the Planck Cluster Catalog

    Science.gov (United States)

    Chakraborty, Priyanka; Chatterjee, Suchetana; Dutta, Alankar; Myers, Adam D.

    2018-06-01

    We characterize the distribution of quasars within dark matter halos using a direct measurement technique for the first time at redshifts as high as z ∼ 1. Using the Planck Sunyaev-Zeldovich (SZ) catalog for galaxy groups and the Sloan Digital Sky Survey (SDSS) DR12 quasar data set, we assign host clusters/groups to the quasars and make a measurement of the mean number of quasars within dark matter halos as a function of halo mass. We find that a simple power-law fit of {log} =(2.11+/- 0.01) {log}(M)-(32.77+/- 0.11) can be used to model the quasar fraction in dark matter halos. This suggests that the quasar fraction increases monotonically as a function of halo mass even to redshifts as high as z ∼ 1.

  11. High-resolution tomography of positron emitters with clustered pinhole SPECT

    Energy Technology Data Exchange (ETDEWEB)

    Goorden, Marlies C; Beekman, Freek J [Section of Radiation Detection and Medical Imaging, Applied Sciences, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands)], E-mail: m.c.goorden@tudelft.nl

    2010-03-07

    State-of-the-art small-animal single photon emission computed tomography (SPECT) enables sub-half-mm resolution imaging of radio-labelled molecules. Due to severe photon penetration through pinhole edges, current multi-pinhole SPECT is not suitable for high-resolution imaging of photons with high energies, such as the annihilation photons emitted by positron emitting tracers (511 keV). To deal with this edge penetration, we introduce here clustered multi-pinhole SPECT (CMP): each pinhole in a cluster has a narrow opening angle to reduce photon penetration. Using simulations, CMP is compared with (i) a collimator with traditional pinholes that is currently used for sub-half-mm imaging of SPECT isotopes (U-SPECT-II), and (ii), like (i) but with collimator thickness adapted to image high-energy photons (traditional multi-pinhole SPECT, TMP). At 511 keV, U-SPECT-II is able to resolve the 0.9 mm rods of an iteratively reconstructed Jaszczak-like capillary hot rod phantom, and while TMP only leads to small improvements, CMP can resolve rods as small as 0.7 mm. Using a digital tumour phantom, we show that CMP resolves many details not assessable with standard USPECT-II and TMP collimators. Furthermore, CMP makes it possible to visualize uptake of positron emitting tracers in sub-compartments of a digital mouse striatal brain phantom. This may open up unique possibilities for analysing processes such as those underlying the function of neurotransmitter systems. Additional potential of CMP may include (i) the imaging of other high-energy single-photon emitters (e.g. I-131) and (ii) localized imaging of positron emitting tracers simultaneously with single photon emitters, with an even better resolution than coincidence PET.

  12. 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

  13. Segmentation of High Angular Resolution Diffusion MRI using Sparse Riemannian Manifold Clustering

    Science.gov (United States)

    Wright, Margaret J.; Thompson, Paul M.; Vidal, René

    2015-01-01

    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 represent HARDI data and cast the 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 the presence of complex fiber configurations, and show its superior performance compared to alternative segmentation methods. Experiments on phantom and real data demonstrate the accuracy of the proposed method in segmenting simulated fibers, as well as white matter fiber tracts of clinical importance in the human brain. PMID:24108748

  14. A method of refining aromatic hydrocarbons from coal chemical production

    Energy Technology Data Exchange (ETDEWEB)

    Zieborak, K.; Koprowski, A.; Ratajczak, W.

    1979-10-01

    A method is disclosed for refining aromatic hydrocarbons of coal chemical production by contact of liquid aromatic hydrocarbons and their mixtures with a strongly acid macroporous sulfocationite in the H-form at atmospheric pressure and high temperature. The method is distinguished in that the aromatic hydrocarbons and their mixtures, from which alkali compounds have already been removed, are supplied for refinement with the sulfocationite with simultaneous addition of olefin derivatives of aromatic hydrocarbons, followed by separation of pure hydrocarbons by rectification. Styrene or alpha-methylstyrene is used as the olefin derivatives of the aromatic hydrocarbons. The method is performed in several stages with addition of olefin derivatives of aromatic hydrocarbons at each stage.

  15. 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.

  16. 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

  17. Constraints on cold dark matter theories from observations of massive x-ray-luminous clusters of galaxies at high redshift

    Science.gov (United States)

    Luppino, G. A.; Gioia, I. M.

    1995-01-01

    During the course of a gravitational lensing survey of distant, X-ray selected Einstein Observatory Extended Medium Sensitivity Survey (EMSS) clusters of galaxies, we have studied six X-ray-luminous (L(sub x) greater than 5 x 10(exp 44)(h(sub 50)(exp -2))ergs/sec) clusters at redshifts exceeding z = 0.5. All of these clusters are apparently massive. In addition to their high X-ray luminosity, two of the clusters at z approximately 0.6 exhibit gravitationally lensed arcs. Furthermore, the highest redshift cluster in our sample, MS 1054-0321 at z = 0.826, is both extremely X-ray luminous (L(sub 0.3-3.5keV)=9.3 x 10(exp 44)(h(sub 50)(exp -2))ergs/sec) and exceedingly rich with an optical richness comparable to an Abell Richness Class 4 cluster. In this Letter, we discuss the cosmological implications of the very existence of these clusters for hierarchical structure formation theories such as standard Omega = 1 CDM (cold dark matter), hybrid Omega = 1 C + HDM (hot dark matter), and flat, low-density Lambda + CDM models.

  18. 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.

  19. 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

  20. 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.

  1. Target analysis of primary aromatic amines combined with a comprehensive screening of migrating substances in kitchen utensils by liquid chromatography-high resolution mass spectrometry.

    Science.gov (United States)

    Sanchis, Yovana; Coscollà, Clara; Roca, Marta; Yusà, Vicent

    2015-06-01

    An analytical strategy including both the quantitative target analysis of 8 regulated primary aromatic amines (PAAs), as well as a comprehensive post-run target screening of 77 migrating substances, was developed for nylon utensils, using liquid chromatography-orbitrap-high resolution mass spectrometry (LC-HRMS) operating in full scan mode. The accurate mass data were acquired with a resolving power of 50,000 FWHM (scan speed, 2 Hz), and by alternating two acquisition events, ESI+ with and without fragmentation. The target method was validated after statistical optimization of the main ionization and fragmentation parameters. The quantitative method presented appropriate performance to be used in official monitoring with recoveries ranging from 78% to 112%, precision in terms of Relative Standard Deviation (RSD) was less than 15%, and the limits of quantification were between 2 and 2.5 µg kg(-1). For post-target screening, a customized theoretical database was built for food contact material migrants, including bisphenols, phthalates, and other amines. For identification purposes, accurate exact mass (<5 ppm) and some diagnostic ions including fragments were used. The strategy was applied to 10 real samples collected from different retailers in the Valencian Region (Spain) during 2014. Six out of eight target PAAs were detected in at least one sample in the target analysis. The most frequently detected compounds were 4,4'-methylenedianiline and aniline, with concentrations ranging from 2.4 to 19,715 µg kg(-1) and 2.5 to 283 µg kg(-1), respectively. Two phthalates were identified and confirmed in the post-run target screening analysis. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Rapid microwave hydrothermal synthesis of ZnGa2O4 with high photocatalytic activity toward aromatic compounds in air and dyes in liquid water

    International Nuclear Information System (INIS)

    Sun Meng; Li Danzhen; Zhang Wenjuan; Chen Zhixin; Huang Hanjie; Li Wenjuan; He Yunhui; Fu Xianzhi

    2012-01-01

    ZnGa 2 O 4 was synthesized from Ga(NO 3 ) 3 and ZnCl 2 via a rapid and facile microwave-assisted hydrothermal method. The photocatalytic properties of the as-prepared ZnGa 2 O 4 were evaluated by the degradation of pollutants in air and aqueous solution under ultraviolet (UV) light illumination. The results demonstrated that ZnGa 2 O 4 had exhibited efficient photocatalytic activities higher than that of commercial P25 (Degussa Co.) in the degradation of benzene, toluene, and ethylbenzene, respectively. In the liquid phase degradation of dyes (methyl orange, Rhodamine B, and methylene blue), ZnGa 2 O 4 has also exhibited remarkable activities higher than that of P25. After 32 min of UV light irradiation, the decomposition ratio of methyl orange (10 ppm, 150 mL) over ZnGa 2 O 4 (0.06 g) was up to 99%. The TOC tests revealed that the mineralization ratio of MO (10 ppm, 150 mL) was 88.1% after 90 min of reaction. A possible mechanism of the photocatalysis over ZnGa 2 O 4 was also proposed. - Graphical abstract: In the degradation of RhB under UV light irradiation, ZnGa 2 O 4 had exhibited efficient photo-activity, and after only 24 min of irradiation the decomposition ratio was up to 99.8%. Highlights: ► A rapid and facile M–H method to synthesize ZnGa 2 O 4 photocatalyst. ► The photocatalyst exhibits high activity toward benzene and dyes. ► The catalyst possesses more surface hydroxyl sites than TiO 2 (P25). ► Deep oxidation of different aromatic compounds and dyes over catalyst.

  3. Analysis of aromatic amines in water samples by liquid-liquid-liquid microextraction with hollow fibers and high-performance liquid chromatography.

    Science.gov (United States)

    Zhao, Limian; Zhu, Lingyan; Lee, Hian Kee

    2002-07-19

    Liquid-liquid-liquid microextraction (LLLME) with hollow fibers in high-performance liquid chromatography (HPLC) has been applied as a rapid and sensitive quantitative method for the detection of four aromatic amines (3-nitroaniline, 4-chloroaniline, 4-bromoaniline and 3,4-dichloroaniline) in environmental water samples. The preconcentration procedure was induced by the pH difference inside and outside the hollow fiber. The target compounds were extracted from 4-ml aqueous sample (donor solution, pH approximately 13) through a microfilm of organic solvent (di-n-hexyl ether), immobilized in the pores of a hollow fiber (1.5 cm length x 0.6 mm I.D.), and finally into 4 microl of acid acceptor solution inside the fiber. After a prescribed period of time, the acceptor solution inside the fiber was withdrawn into the microsyringe and directly injected into the HPLC system for analysis. Factors relevant to the extraction procedure were studied. Up to 500-fold enrichment of analytes could be obtained under the optimized conditions (donor solution: 0.1 M sodium hydroxide solution with 20% sodium chloride and 2% acetone; organic phase: di-n-hexyl ether; acceptor solution: 0.5 M hydrochloric acid and 500 mM 18-crown-6 ether; extraction time of 30 min; stirring at 1,000 rev./min). The procedure also served as a sample clean-up step. The influence of humic acid on the extraction efficiency was also investigated, and more than 85% relative recoveries of the analytes at two different concentrations (20 and 100 microg/l) were achieved at various concentration of humic acid. This technique is a low cost, simple and fast approach to the analysis of polar compounds in aqueous samples.

  4. High-resolution Spectroscopic Observations of Single Red Giants in Three Open Clusters: NGC 2360, NGC 3680, and NGC 5822

    Science.gov (United States)

    Peña Suárez, V. J.; Sales Silva, J. V.; Katime Santrich, O. J.; Drake, N. A.; Pereira, C. B.

    2018-02-01

    Single stars in open clusters with known distances are important targets in constraining the nucleosynthesis process since their ages and luminosities are also known. In this work, we analyze a sample of 29 single red giants of the open clusters NGC 2360, NGC 3680, and NGC 5822 using high-resolution spectroscopy. We obtained atmospheric parameters, abundances of the elements C, N, O, Na, Mg, Al, Ca, Si, Ti, Ni, Cr, Y, Zr, La, Ce, and Nd, as well as radial and rotational velocities. We employed the local thermodynamic equilibrium atmospheric models of Kurucz and the spectral analysis code MOOG. Rotational velocities and light-element abundances were derived using spectral synthesis. Based on our analysis of the single red giants in these three open clusters, we could compare, for the first time, their abundance pattern with that of the binary stars of the same clusters previously studied. Our results show that the abundances of both single and binary stars of the open clusters NGC 2360, NGC 3680, and NGC 5822 do not have significant differences. For the elements created by the s-process, we observed that the open clusters NGC 2360, NGC 3680, and NGC 5822 also follow the trend already raised in the literature that young clusters have higher s-process element abundances than older clusters. Finally, we observed that the three clusters of our sample exhibit a trend in the [Y/Mg]-age relation, which may indicate the ability of the [Y/Mg] ratio to be used as a clock for the giants. Based on the observations made with the 2.2 m telescope at the European Southern Observatory (La Silla, Chile) under an agreement with Observatório Nacional and under an agreement between Observatório Nacional and Max-Planck Institute für Astronomie.

  5. Ultra high energy cosmic rays: clustering, GUT scale and neutrino masses

    International Nuclear Information System (INIS)

    Fodor, Z.

    2002-01-01

    The clustering of ultra high energy (above 5 · 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 ν = 2.75 -0.97 +1.28 eV for halo and 0.26 -0.14 +0.20 eV for extragalactic (EG) origin

  6. A HIGHLY MAGNIFIED SUPERNOVA AT z = 1.703 BEHIND THE MASSIVE GALAXY CLUSTER A1689

    Energy Technology Data Exchange (ETDEWEB)

    Amanullah, R.; Goobar, A.; Joensson, J.; Moertsell, E.; Nordin, J. [Department of Physics, Stockholm University, Albanova University Centre, SE 106-91 Stockholm (Sweden); Clement, B.; Cuby, J.-G.; Kneib, J.-P.; Limousin, M. [Laboratoire d' Astrophysique de Marseille, UMR 6610, CNRS-Universite de Provence, 13388 Marseille Cedex 13 (France); Dahle, H. [Institute of Theoretical Astrophysics, University of Oslo, Blindern, N-0315 Oslo (Norway); Dahlen, T. [Space Telescope Science Institute, Baltimore, MD 21218 (United States); Hjorth, J.; Milvang-Jensen, B.; Richard, J.; Watson, D. [Dark Cosmology Centre, Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen (Denmark); Fabbro, S. [Department of Physics and Astronomy, University of Victoria, Victoria BC V8T 1M8 (Canada); Lidman, C. [Australian Astronomical Observatory, Epping, NSW 1710 (Australia); Paech, K. [Physikalisches Institut, Universitaet Bonn, 53115 Bonn (Germany); Riehm, T. [The Oskar Klein Centre, Physics Department, Stockholm University, Albanova University Centre, SE 106-91 Stockholm (Sweden); Stanishev, V., E-mail: rahman@fysik.su.se [CENTRA-Centro Multidisciplinar de Astrofisica, IST, 1049-001 Lisboa (Portugal)

    2011-11-20

    Our ability to study the most remote supernova explosions, crucial for the understanding of the evolution of the high-redshift universe and its expansion rate, is limited by the light collection capabilities of telescopes. However, nature offers unique opportunities to look beyond the range within reach of our unaided instruments thanks to the light-focusing power of massive galaxy clusters. Here we report on the discovery of one of the most distant supernovae ever found, at redshift z = 1.703. Due to a lensing magnification factor of 4.3 {+-} 0.3, we are able to measure a light curve of the supernova, as well as spectroscopic features of the host galaxy with a precision comparable to what would otherwise only be possible with future generation telescopes.

  7. PIConGPU - A highly-scalable particle-in-cell implementation for GPU clusters

    Energy Technology Data Exchange (ETDEWEB)

    Bussmann, Michael; Burau, Heiko; Debus, Alexander; Huebl, Axel; Kluge, Thomas; Pausch, Richard; Schmeisser, Nils; Steiniger, Klaus; Widera, Rene; Wyderka, Nikolai; Schramm, Ulrich; Cowan, Thomas [HZDR, Dresden (Germany); Schneider, Benjamin [HZDR, Dresden (Germany); TU Dresden (Germany); Schmitt, Felix [NVIDIA, Austin, TX (United States); Grottel, Sebastian; Gumhold, Stefan [TU Dresden (Germany); Juckeland, Guido; Angel, Wolfgang [TU Dresden (Germany); ZIH, Dresden (Germany)

    2013-07-01

    PIConGPU can handle large-scale simulations of laser plasma and astrophysical plasma dynamics on GPU clusters with thousands of GPUs. High data throughput allows to conduct large parameter surveys but makes it necessary to rethink data analysis and look for new ways of analyzing large simulation data sets. The speedup seen on GPUs enables scientists to add physical effects to their code that up until recently have been too computationally demanding. We present recent results obtained with PIConGPU, discuss scaling behaviour, the most important building blocks of the code and new physics modules recently added. In addition we give an outlook on data analysis, resiliance and load balancing with PIConGPU.

  8. 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

    , in agreement with recent IR measurements. Complementary density functional theory calculations confirm the stability of the observed superhydrogenated species toward spontaneous H and H2 loss indicating that abstraction reactions may be the dominant route to H2 formation involving neutral polycyclic aromatic...

  9. The Homocoupling Reaction of Aromatic Terminal Alkynes by a Highly Active Palladium(II)/AgNO₃ Cocatalyst in Aqueous Media Under Aerobic Conditions.

    Science.gov (United States)

    Guo, Mengping; Chen, Bo; Lv, Meiyun; Zhou, Xiuling; Wen, Yongju; Shen, Xiuli

    2016-05-10

    A new and efficient Pd(II)/AgNO₃-cocatalyzed homocoupling of aromatic terminal alkynes is described. Various symmetrical 1,4-disubstituted-1,3-diynes are obtained in good to excellent yields. This protocol employs a loading with relatively low palladium(II) in aqueous media under aerobic conditions.

  10. 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)

  11. EFTIHIYA – THE NEWEST WINE AROMATIC VARIETY WITH PINK COLORED BERRY

    OpenAIRE

    Zamanidi P. C.; Troshin L. P.; Radchevskiy P. P.

    2014-01-01

    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 mediu...

  12. Clustering of High Redshift (z>2.9) Quasars from the Sloan Digital Sky Survey

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Yue; Strauss, Michael A.; Oguri, Masamune; Hennawi, Joseph F.; Fan, Xiaohui; Richards, Gordon T.; Hall, Patrick B.; Schneider, Donald P.; Szalay, Alexander S.; Thakar, Anirudda R.; Berk, Daniel E.Vanden; Anderson, Scott F.; Bahcall, Neta A.; /KIPAC, Menlo Park

    2006-11-30

    We study the two-point correlation function of a uniformly selected sample of 4,428 optically selected luminous quasars with redshift 2.9 {le} z {le} 5.4 selected over 4041 deg{sup 2} from the Fifth Data Release of the Sloan Digital Sky Survey. We fit a power-law to the projected correlation function w{sub p}(r{sub p}) to marginalize over redshift space distortions and redshift errors. For a real-space correlation function of the form {zeta}(r) = (r/r{sub 0}){sup -{gamma}}, the fitted parameters in comoving coordinates are r{sub 0} = 15.2 {+-} 2.7 h{sup -1} Mpc and {gamma} = 2.0 {+-} 0.3, over a scale range 4 {le} r{sub p} {le} 150 h{sup -1} Mpc. Thus high-redshift quasars are appreciably more strongly clustered than their z {approx} 1.5 counterparts, which have a comoving clustering length r{sub 0} {approx} 6.5 h{sup -1} Mpc. Dividing our sample into two redshift bins: 2.9 {le} z {le} 3.5 and z {ge} 3.5, and assuming a power-law index {gamma} = 2.0, we find a correlation length of r{sub 0} = 16.9 {+-} 1.7 h{sup -1} Mpc for the former, and r{sub 0} = 24.3 {+-} 2.4 h{sup -1} Mpc for the latter. Strong clustering at high redshift indicates that quasars are found in very massive, and therefore highly biased, halos. Following Martini & Weinberg, we relate the clustering strength and quasar number density to the quasar lifetimes and duty cycle. Using the Sheth & Tormen halo mass function, the quasar lifetime is estimated to lie in the range 4 {approx} 50 Myr for quasars with 2.9 {le} z {le} 3.5; and 30 {approx} 600 Myr for quasars with z {ge} 3.5. The corresponding duty cycles are 0.004 {approx} 0.05 for the lower redshift bin and 0.03 {approx} 0.6 for the higher redshift bin. The minimum mass of halos in which these quasars reside is 2-3 x 10{sup 12} h{sup -1} M{sub {circle_dot}} for quasars with 2.9 {le} z {le} 3.5 and 4-6 x 10{sup 12} h{sup -1} M{sub {circle_dot}} for quasars with z {ge} 3.5; the effective bias factor b{sub eff} increases with redshift, e.g., b

  13. GLOBULAR CLUSTER ABUNDANCES FROM HIGH-RESOLUTION, INTEGRATED-LIGHT SPECTROSCOPY. III. THE LARGE MAGELLANIC CLOUD: Fe AND AGES

    International Nuclear Information System (INIS)

    Colucci, Janet E.; Bernstein, Rebecca A.; Cameron, Scott A.; McWilliam, Andrew

    2011-01-01

    In this paper, we refine our method for the abundance analysis of high-resolution spectroscopy of the integrated light of unresolved globular clusters (GCs). This method was previously demonstrated for the analysis of old (>10 Gyr) Milky Way (MW) GCs. Here, we extend the technique to young clusters using a training set of nine GCs in the Large Magellanic Cloud. Depending on the signal-to-noise ratio of the data, we use 20-100 Fe lines per cluster to successfully constrain the ages of old clusters to within a ∼5 Gyr range, the ages of ∼2 Gyr clusters to a 1-2 Gyr range, and the ages of the youngest clusters (0.05-1 Gyr) to a ∼200 Myr range. We also demonstrate that we can measure [Fe/H] in clusters with any age less than 12 Gyr with similar or only slightly larger uncertainties (0.1-0.25 dex) than those obtained for old MW GCs (0.1 dex); the slightly larger uncertainties are due to the rapid evolution in stellar populations at these ages. In this paper, we present only Fe abundances and ages. In the next paper in this series, we present our complete analysis of ∼20 elements for which we are able to measure abundances. For several of the clusters in this sample, there are no high-resolution abundances in the literature from individual member stars; our results are the first detailed chemical abundances available. The spectra used in this paper were obtained at Las Campanas with the echelle on the du Pont Telescope and with the MIKE spectrograph on the Magellan Clay Telescope.

  14. A Massive, Cooling-Flow-Induced Starburst in the Core of a Highly Luminous Galaxy Cluster

    Science.gov (United States)

    McDonald, M.; Bayliss, M.; Benson, B. A.; Foley, R. J.; Ruel, J.; Sullivan, P.; Veilleux, S.; Aird, K. A.; Ashby, M. L. N.; Bautz, M.; hide

    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(sub 2-10 keV) = 8.2 10(exp 45) erg/s) galaxy cluster which hosts an extremely strong cooling flow (M(sub cool) = 3820 +/- 530 Stellar Mass/yr). Further, the central galaxy in this cluster appears to be experiencing a massive starburst (740 +/- 160 Stellar Mass/ yr), which suggests that the feedback source responsible for preventing runaway cooling in nearby cool core clusters may not yet be fully established in SPT-CLJ2344-4243. This large star formation rate implies that a significant fraction of the stars in the central galaxy of this cluster may form via accretion of the intracluster medium, rather than the current picture of central galaxies assembling entirely via mergers.

  15. 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.

  16. Clustering of near clusters versus cluster compactness

    International Nuclear Information System (INIS)

    Yu Gao; Yipeng Jing

    1989-01-01

    The clustering properties of near Zwicky clusters are studied by using the two-point angular correlation function. The angular correlation functions for compact and medium compact clusters, for open clusters, and for all near Zwicky clusters are estimated. The results show much stronger clustering for compact and medium compact clusters than for open clusters, and that open clusters have nearly the same clustering strength as galaxies. A detailed study of the compactness-dependence of correlation function strength is worth investigating. (author)

  17. 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...

  18. 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

  19. Nuclear clustering - a cluster core model study

    International Nuclear Information System (INIS)

    Paul Selvi, G.; Nandhini, N.; Balasubramaniam, M.

    2015-01-01

    Nuclear clustering, similar to other clustering phenomenon in nature is a much warranted study, since it would help us in understanding the nature of binding of the nucleons inside the nucleus, closed shell behaviour when the system is highly deformed, dynamics and structure at extremes. Several models account for the clustering phenomenon of nuclei. We present in this work, a cluster core model study of nuclear clustering in light mass nuclei

  20. 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.

  1. Mechanism of de-activation and clustering of B in Si at extremely high concentration

    International Nuclear Information System (INIS)

    Romano, L.; Piro, A.M.; Privitera, V.; Rimini, E.; Fortunato, G.; Svensson, B.G.; Foad, M.; Grimaldi, M.G.

    2006-01-01

    It is known that B deactivation and clustering occur in the presence of an excess of Si self-interstitials (Is). First principle calculations predicted the path of clusters growth, but the precursor complexes are too small to be visible even by the highest resolution microscopy. Channeling with nuclear reaction analyses allowed to detect the location of small B-Is complexes into the lattice formed as a consequence of the B interaction with the Is. In this work we extend this method to determine the complexes formed during the initial stage of B precipitation in Si doped at extremely high concentration (4 at%) and subjected to thermal treatment. The samples were prepared by excimer laser annealing (ELA) of Si implanted with 1 keV B. The thickness of the molten layer was 100 nm and the B profile was boxlike with a maximum hole concentration of ∼2 x 10 21 cm -3 . The electrical deactivation and carrier mobility of this metastable system has been studied as a function of subsequent annealing in the temperature range between 200 and 850 deg. C. Channeling analyses have been performed to investigate the B lattice location at the initial stage of precipitation. The difference, with respect to previous investigations, is the very small distance (<1 nm) between adjacent B atoms substitutional located in the lattice and the absence of Is that can be released during annealing, since the end of range defects were completely dissolved by ELA. In this way, information on the B complex evolution in a free-of-defects sample have been obtained

  2. Statistics of high-altitude and high-latitude O+ ion outflows observed by Cluster/CIS

    Directory of Open Access Journals (Sweden)

    A. Korth

    2005-07-01

    Full Text Available The persistent outflows of O+ ions observed by the Cluster CIS/CODIF instrument were studied statistically in the high-altitude (from 3 up to 11 RE and high-latitude (from 70 to ~90 deg invariant latitude, ILAT polar region. The principal results are: (1 Outflowing O+ ions with more than 1keV are observed above 10 RE geocentric distance and above 85deg ILAT location; (2 at 6-8 RE geocentric distance, the latitudinal distribution of O+ ion outflow is consistent with velocity filter dispersion from a source equatorward and below the spacecraft (e.g. the cusp/cleft; (3 however, at 8-12 RE geocentric distance the distribution of O+ outflows cannot be explained by velocity filter only. The results suggest that additional energization or acceleration processes for outflowing O+ ions occur at high altitudes and high latitudes in the dayside polar region. Keywords. Magnetospheric physics (Magnetospheric configuration and dynamics, Solar wind-magnetosphere interactions

  3. High-resolution abundance analysis of red giants in the globular cluster NGC 6522

    Science.gov (United States)

    Barbuy, B.; Chiappini, C.; Cantelli, E.; Depagne, E.; Pignatari, M.; Hirschi, R.; Cescutti, G.; Ortolani, S.; Hill, V.; Zoccali, M.; Minniti, D.; Trevisan, M.; Bica, E.; Gómez, A.

    2014-10-01

    Context. The [Sr/Ba] and [Y/Ba] scatter observed in some galactic halo stars that are very metal-poor and in a few individual stars of the oldest known Milky Way globular cluster NGC 6522 have been interpreted as evidence of early enrichment by massive fast-rotating stars (spinstars). Because NGC 6522 is a bulge globular cluster, the suggestion was that not only the very-metal poor halo stars, but also bulge stars at [Fe/H] ~ -1 could be used as probes of the stellar nucleosynthesis signatures from the earlier generations of massive stars, but at much higher metallicity. For the bulge the suggestions were based on early spectra available for stars in NGC 6522, with a medium resolution of R ~ 22 000 and a moderate signal-to-noise ratio. Aims: The main purpose of this study is to re-analyse the NGC 6522 stars reported previously by using new high-resolution (R ~ 45 000) and high signal-to-noise spectra (S/N > 100). We aim at re-deriving their stellar parameters and elemental ratios, in particular the abundances of the neutron-capture s-process-dominated elements such as Sr, Y, Zr, La, and Ba, and of the r-element Eu. Methods: High-resolution spectra of four giants belonging to the bulge globular cluster NGC 6522 were obtained at the 8m VLT UT2-Kueyen telescope with the UVES spectrograph in FLAMES-UVES configuration. The spectroscopic parameters were derived based on the excitation and ionization equilibrium of Fe i and Fe ii. Results: Our analysis confirms a metallicity [Fe/H] = -0.95 ± 0.15 for NGC 6522 and the overabundance of the studied stars in Eu (with +0.2 < [Eu/Fe] < + 0.4) and alpha-elements O and Mg. The neutron-capture s-element-dominated Sr, Y, Zr, Ba, and La now show less pronounced variations from star to star. Enhancements are in the range 0.0 < [Sr/Fe] < +0.4, +0.23 < [Y/Fe] < +0.43, 0.0 < [Zr/Fe] < +0.4, 0.0 < [La/Fe] < +0.35, and 0.05 < [Ba/Fe] < +0.55. Conclusions: The very high overabundances of [Y/Fe] previously reported for the four studied

  4. Correlation between experimental data of protonation of aromatic compounds at (+) atmospheric pressure photoionization and theoretically calculated enthalpies.

    Science.gov (United States)

    Ahmed, Arif; Lim, Dongwon; Choi, Cheol Ho; Kim, Sunghwan

    2017-06-30

    The theoretical enthalpy calculated from the overall protonation reaction (electron transfer plus hydrogen transfer) in positive-mode (+) atmospheric-pressure photoionization (APPI) was compared with experimental results for 49 aromatic compounds. A linear relationship was observed between the calculated ΔH and the relative abundance of the protonated peak. The parameter gives reasonable predictions for all the aromatic hydrocarbon compounds used in this study. A parameter is devised by combining experimental MS data and high-level theoretical calculations. A (+) APPI Q Exactive Orbitrap mass spectrometer was used to obtain MS data for each solution. B3LYP exchange-correlation functions with the standard 6-311+G(df,2p) basis set was used to perform density functional theory (DFT) calculations. All the molecules with ΔH toluene clusters produced protonated ions, regardless of the desolvation temperature. For molecules with ΔH >0, molecular ions were more abundant at typical APPI desolvation temperatures (300°C), while the protonated ions became comparable or dominant at higher temperatures (400°C). The toluene cluster size was an important factor when predicting the ionization behavior of aromatic hydrocarbon ions in (+) APPI. The data used in this study clearly show that the theoretically calculated reaction enthalpy (ΔH) of protonation with toluene dimers can be used to predict the protonation behavior of aromatic compounds. When compounds have a negative ΔH value, the types of ions generated for aromatic compounds could be very well predicted based on the ΔH value. The ΔH can explain overall protonation behavior of compounds with ΔH values >0. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  5. Cluster-level statistical inference in fMRI datasets: The unexpected behavior of random fields in high dimensions.

    Science.gov (United States)

    Bansal, Ravi; Peterson, Bradley S

    2018-06-01

    Identifying regional effects of interest in MRI datasets usually entails testing a priori hypotheses across many thousands of brain voxels, requiring control for false positive findings in these multiple hypotheses testing. Recent studies have suggested that parametric statistical methods may have incorrectly modeled functional MRI data, thereby leading to higher false positive rates than their nominal rates. Nonparametric methods for statistical inference when conducting multiple statistical tests, in contrast, are thought to produce false positives at the nominal rate, which has thus led to the suggestion that previously reported studies should reanalyze their fMRI data using nonparametric tools. To understand better why parametric methods may yield excessive false positives, we assessed their performance when applied both to simulated datasets of 1D, 2D, and 3D Gaussian Random Fields (GRFs) and to 710 real-world, resting-state fMRI datasets. We showed that both the simulated 2D and 3D GRFs and the real-world data contain a small percentage (<6%) of very large clusters (on average 60 times larger than the average cluster size), which were not present in 1D GRFs. These unexpectedly large clusters were deemed statistically significant using parametric methods, leading to empirical familywise error rates (FWERs) as high as 65%: the high empirical FWERs were not a consequence of parametric methods failing to model spatial smoothness accurately, but rather of these very large clusters that are inherently present in smooth, high-dimensional random fields. In fact, when discounting these very large clusters, the empirical FWER for parametric methods was 3.24%. Furthermore, even an empirical FWER of 65% would yield on average less than one of those very large clusters in each brain-wide analysis. Nonparametric methods, in contrast, estimated distributions from those large clusters, and therefore, by construct rejected the large clusters as false positives at the nominal

  6. 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

  7. FIRST Bent-Double Radio Sources: Tracers of High-Redshift Clusters

    International Nuclear Information System (INIS)

    Blanton, E. L.; Gregg, M. D.; Helfand, D. J.; Becker, R. H.; White, R. L.

    2000-01-01

    Bent-double radio sources can act as tracers for clusters of galaxies. We present imaging and spectroscopic observations of the environments surrounding 10 of these sources (most of them wide-angle tails [WATs]) selected from the VLA FIRST survey. Our results reveal a previously unknown cluster associated with eight of the radio sources with redshifts in the range 0.33< z<0.85; furthermore, we cannot rule out that the other two bent doubles may be associated with clusters at higher redshift. Richness measurements indicate that these clusters are typical of the majority of those found in the Abell catalog, with a range of Abell richness classes from 0 to 2. The line-of-sight velocity dispersions are very different from cluster to cluster, ranging from approximately 300 to 1100 km s-1. At the upper end of these intervals, we may be sampling some of the highest redshift massive clusters known. Alternatively, the large velocity dispersions measured in some of the clusters may indicate that they are merging systems with significant substructure, consistent with recent ideas concerning WAT formation (Burns et al.). (c) 2000 The American Astronomical Society

  8. High-energy gamma-ray and neutrino backgrounds from clusters of galaxies and radio constraints

    NARCIS (Netherlands)

    Zandanel, F.; Tamborra, I.; Gabici, S.; Ando, S.

    2015-01-01

    Cosmic-ray protons accumulate for cosmological times in clusters of galaxies because their typical radiative and diffusive escape times are longer than the Hubble time. Their hadronic interactions with protons of the intra-cluster medium generate secondary electrons, gamma rays, and neutrinos. In

  9. 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…

  10. Ion beam irradiation effects on aromatic polymers

    International Nuclear Information System (INIS)

    Shukushima, Satoshi; Ueno, Keiji

    1995-01-01

    We studied the optical and thermal properties of aromatic polymer films which had been irradiated with 1 MeV H + , H 2 + and He + ions. The examined aromatic polymers were polyetherether ketone(PEEK), polyetherimide(PEI), polyether sulfon(PES), polysulfon(PSF), and polyphenylene sulfide(PPS). The optical densities at 300nm of PES and PSF greatly increased after the irradiation. The optical densities at 400nm of all the examined polymer lineally increased with the irradiation dose. The PEEK film which had been irradiated with 1 MeV H + was not deformed above melting point. This demonstrates that cross-linking occurs in PEEK films by ion beam irradiation. As for the effects, depending on the mass of the irradiated ions, it was found that the ions with a high mass induced larger effects on the aromatic polymers for the same absorption energy. (author)

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. Cluster dynamics modeling of the effect of high dose irradiation and helium on the microstructure of austenitic stainless steels

    Energy Technology Data Exchange (ETDEWEB)

    Brimbal, Daniel, E-mail: Daniel.brimbal@areva.com [AREVA NP, Tour AREVA, 1 Place Jean Millier, 92084 Paris La Défense (France); Fournier, Lionel [AREVA NP, Tour AREVA, 1 Place Jean Millier, 92084 Paris La Défense (France); Barbu, Alain [Alain Barbu Consultant, 6 Avenue Pasteur Martin Luther King, 78230 Le Pecq (France)

    2016-01-15

    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. - Highlights: • Irradiation of steels with helium is studied through a new cluster dynamics model. • There is only a small effect of helium on cavity distributions in PWR conditions. • An increase in helium production causes an increase in cavity density over 500 °C. • The role of helium is to stabilize cavities via reduced emission of vacancies.

  16. 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.

  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. 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

  19. Preparation of aligned W{sub 18}O{sub 49} nanowire clusters with high photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ning [State Key Laboratory of Inorganic Synthesis & Preparative Chemistry, Jilin University, Changchun 130012 (China); Zhao, Yafei, E-mail: zhaoyafei007@126.com [State Key Laboratory of Inorganic Synthesis & Preparative Chemistry, Jilin University, Changchun 130012 (China); School of Chemical Engineering and Energy, Zhengzhou University, Zhengzhou, Henan 450001 (China); Lu, Yanjie [School of Chemical Engineering and Energy, Zhengzhou University, Zhengzhou, Henan 450001 (China); Zhu, Guangshan, E-mail: zhugs@jlu.edu.cn [State Key Laboratory of Inorganic Synthesis & Preparative Chemistry, Jilin University, Changchun 130012 (China)

    2017-04-15

    Highlights: • Aligned W{sub 18}O{sub 49} nanowire clusters were prepared by a facile hydrothermal method. • W{sub 18}O{sub 49} has unique structure, high degree of crystallinity and large surface area. • W{sub 18}O{sub 49} nanowire clusters exhibited high photocatalytic degradation activity. - Abstract: The aligned W{sub 18}O{sub 49} nanowire clusters were synthesized via a facile and economic ethanol-assisted hydrothermal method using peroxopolytungstic acid as precursor. Results show that the as-prepared W{sub 18}O{sub 49} exhibits a high yield and ultrathin structure with preferential growth direction along [0 1 0]. The amount of peroxopolytungstic acid and reaction time play significant role on the morphology of W{sub 18}O{sub 49} nanowires. The nanowires have unique structure, high degree of crystallinity, large specific surface area, and large number of defects such as oxygen vacancies, which are responsible for their high photocatalytic performance for degradation of methylene blue. The photocatalytic conversion of methylene blue can reach above 98% after degradation. W{sub 18}O{sub 49} also exhibits good photodegradation stability after five cycles of reuse. The results demonstrate that the as-prepared W{sub 18}O{sub 49} nanowire clusters are expected to be a promising material for applications in the field of environment.

  20. Aromatization of propane over MFI-gallosilicates

    NARCIS (Netherlands)

    Bayense, C.R.; vd Pol, A.J.H.P.; Hooff, van J.H.C.

    1991-01-01

    The results of propane aromatization over gallium containing HZSM-5 zeolites are described. Highly dispersed gallium in the zeolite (framework or extra-framework) was found to possess dehydrogenation activity, especially in the presence of strong Brønsted acid sites. The extra-framework gallium was

  1. A HIGH FIDELITY SAMPLE OF COLD FRONT CLUSTERS FROM THE CHANDRA ARCHIVE

    International Nuclear Information System (INIS)

    Owers, Matt S.; Nulsen, Paul E. J.; Markevitch, Maxim; Couch, Warrick J.

    2009-01-01

    This paper presents a sample of 'cold front' clusters selected from the Chandra archive. The clusters are selected based purely on the existence of surface brightness edges in their Chandra images which are modeled as density jumps. A combination of the derived density and temperature jumps across the fronts is used to select nine robust examples of cold front clusters: 1ES0657 - 558, Abell 1201, Abell 1758N, MS1455.0+2232, Abell 2069, Abell 2142, Abell 2163, RXJ1720.1+2638, and Abell 3667. This sample is the subject of an ongoing study aimed at relating cold fronts to cluster merger activity, and understanding how the merging environment affects the cluster constituents. Here, temperature maps are presented along with the Chandra X-ray images. A dichotomy is found in the sample in that there exists a subsample of cold front clusters which are clearly mergers based on their X-ray morphologies, and a second subsample of clusters which harbor cold fronts, but have surprisingly relaxed X-ray morphologies, and minimal evidence for merger activity at other wavelengths. For this second subsample, the existence of a cold front provides the sole evidence for merger activity at X-ray wavelengths. We discuss how cold fronts can provide additional information which may be used to constrain merger histories, and also the possibility of using cold fronts to distinguish major and minor mergers.

  2. 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.

  3. 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.

  4. Water pollution potential of mineral oils with high content of polycyclic aromatic hydrocarbons (heavy fuel oil and neutral oil extracts); Untersuchungen zur Wassergefaehrdung durch Mineraloele mit hohen Gehalten an polycyclischen aromatischen Kohlenwasserstoffen (Heizoel Schwer und Extrakte)

    Energy Technology Data Exchange (ETDEWEB)

    Albers, G. [Mobil Schmierstoff GmbH, Hamburg (Germany)

    1999-01-01

    A data base on highly aromatic mineral oils has been compiled to classify mineral oil products according to their water-pollution potential (water hazard class or Wassergefaehrdungsklasse, WGK). This activity has been undertaken through the Commission for Water Hazardous Materials (Kommission Bewertung Wassergefaehrdender Stoffe, KBwS). In this special case, highly aromatic mineral oils containing a high concentration of polycyclic aromatic hydrocarbons (Polyaromatische Kohlenwasserstoffe, PAK) were evaluated. A test method for measuring the elution potential of PAK into water was developed on petroleum products with high viscosity and high freeze point. This method was applied to determine the solubility of 23 PAK (including 16 PAK according to EPA 610 and 6 PAK according to the German drinking water regulation (Trinkwasserverordnung, TVO)) from heavy fuel oil and neutral oil extract in the aqueous phase. For the 6 PAK, according to TVO, a sum limit of 0,2 {mu}g/l in drinking water is permitted by German legislation. This limit was not exceeded in any of the water phases examined. (orig.) [Deutsch] Fuer die Einstufung von Mineraloelprodukten in die Wassergefaehrdungsklassen (WGK) durch die Kommission Bewertung Wassergefaehrdender Stoffe ist es notwendig, Basisdaten zur Verfuegung zu stellen. Im speziellen Fall handelt es sich um die Bewertung von Mineraloelen, die sich durch einen hohen Gehalt an polycyclischen aromatischen Kohlenwasserstoffen (PAK) auszeichnen. Zur Eluierbarkeit von PAK`s aus Produkten mit hoher Viskosiaet bzw. mit hohem Stockpunkt wurde eine Pruefmethode entwickelt. Diese Methode wurde zur Bestimmung der Loeslichkeit von 23 PAK`s (16 PAK`s nach EPA-Liste incl. 6 PAK`s der TVO) aus den Mineraloelen Heizoel Schwer und Neutralextrakt in der Wasserphase eingesetzt. Fuer die PAK der TVO ist in der TVO ein Summengrenzwert von 0,2 {mu}g/l Trinkwasser angegeben. Dieser Grenzwert wurde in keiner der untersuchten Wasserphasen ueberschritten. (orig.)

  5. Mental health first aid training for high school teachers: a cluster randomized trial.

    Science.gov (United States)

    Jorm, Anthony F; Kitchener, Betty A; Sawyer, Michael G; Scales, Helen; Cvetkovski, Stefan

    2010-06-24

    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. 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. 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. Mental Health First Aid training has positive effects on teachers' mental health knowledge, attitudes, confidence and some aspects of their behaviour. ACTRN12608000561381.

  6. 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

  7. INFRARED HIGH-RESOLUTION INTEGRATED LIGHT SPECTRAL ANALYSES OF M31 GLOBULAR CLUSTERS FROM APOGEE

    Energy Technology Data Exchange (ETDEWEB)

    Sakari, Charli M. [Department of Astronomy, University of Washington, Seattle WA 98195-1580 (United States); Shetrone, Matthew D. [McDonald Observatory, University of Texas at Austin, HC75 Box 1337-MCD, Fort Davis, TX 79734 (United States); Schiavon, Ricardo P. [Gemini Observatory, 670 N. A’Ohoku Place, Hilo, HI 96720 (United States); Bizyaev, Dmitry; Pan, Kaike [Apache Point Observatory and New Mexico State University, P.O. Box 59, Sunspot, NM, 88349-0059 (United States); Prieto, Carlos Allende; García-Hernández, Domingo Aníbal [Instituto de Astrofísica de Canarias (IAC), Va Lactea s/n, E-38205 La Laguna, Tenerife (Spain); Beers, Timothy C. [Department of Physics and JINA Center for the Evolution of the Elements, University of Notre Dame, Notre Dame, IN 46556 (United States); Caldwell, Nelson [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Lucatello, Sara [INAF Osservatorio Astronomico di Padova, Vicolo dellOsservatorio 5, I-35122 Padova (Italy); Majewski, Steven; O’Connell, Robert W. [Dept. of Astronomy, University of Virginia, Charlottesville, VA 22904-4325 (United States); Strader, Jay, E-mail: sakaricm@u.washington.edu [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States)

    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 1 σ 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.

  8. Risk factors and clusters of Highly Pathogenic Avian Influenza H5N1 outbreaks in Bangladesh

    Science.gov (United States)

    Loth, Leo; Gilbert, Marius; Osmani, Mozaffar G.; Kalam, Abul M.; Xiao, Xiangming

    2016-01-01

    Between March 2007 and July 2009, 325 Highly Pathogenic Avian Influenza (HPAI, subtype H5N1) outbreaks in poultry were reported in 154 out of a total of 486 sub-districts in Bangladesh. This study analyzed the temporal and spatial patterns of HPAI H5N1 outbreaks and quantified the relationship between several spatial risk factors and HPAI outbreaks in sub-districts in Bangladesh. We assessed spatial autocorrelation and spatial dependence, and identified clustering sub-districts with disease statistically similar to or dissimilar from their neighbors. Three significant risk factors associated to HPAI H5N1 virus outbreaks were identified; the quadratic log-transformation of human population density [humans per square kilometer, P = 0.01, OR 1.15 (95% CI: 1.03–1.28)], the log-transformation of the total commercial poultry population [number of commercial poultry per sub-district, P Bangladesh to target surveillance and to concentrate response efforts in areas where disease is likely to occur. Concentrating response efforts may help to combat HPAI more effectively, reducing the environmental viral load and so reducing the number of disease incidents. PMID:20554337

  9. 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.

  10. 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.

  11. A highly divergent gene cluster in honey bees encodes a novel silk family.

    Science.gov (United States)

    Sutherland, Tara D; Campbell, Peter M; Weisman, Sarah; Trueman, Holly E; Sriskantha, Alagacone; Wanjura, Wolfgang J; Haritos, Victoria S

    2006-11-01

    The pupal cocoon of the domesticated silk moth Bombyx mori is the best known and most extensively studied insect silk. It is not widely known that Apis mellifera larvae also produce silk. We have used a combination of genomic and proteomic techniques to identify four honey bee fiber genes (AmelFibroin1-4) and two silk-associated genes (AmelSA1 and 2). The four fiber genes are small, comprise a single exon each, and are clustered on a short genomic region where the open reading frames are GC-rich amid low GC intergenic regions. The genes encode similar proteins that are highly helical and predicted to form unusually tight coiled coils. Despite the similarity in size, structure, and composition of the encoded proteins, the genes have low primary sequence identity. We propose that the four fiber genes have arisen from gene duplication events but have subsequently diverged significantly. The silk-associated genes encode proteins likely to act as a glue (AmelSA1) and involved in silk processing (AmelSA2). Although the silks of honey bees and silkmoths both originate in larval labial glands, the silk proteins are completely different in their primary, secondary, and tertiary structures as well as the genomic arrangement of the genes encoding them. This implies independent evolutionary origins for these functionally related proteins.

  12. The Terzan 2 Cluster Taken by the High Energy Astronomy Observatory (HEAO)-2

    Science.gov (United States)

    1980-01-01

    The dramatic change in x-ray emission from the Terzan 2 cluster is shown in this series of 2.5-minute exposures taken with the High Energy Astronomy Observatory (HEAO)-2/Einstein Observatory immediately before, during, and after the burst. Total exposure (20 minutes) of the object, including the outburst, is shown in the fourth photograph. These images represent the first observation of an x-ray burst in progress. The actual burst lasted 50 seconds. Among the rarest, and most bizarre, phenomena observed by x-ray astronomers are the so-called cosmic bursters (x-ray sources that suddenly and dramatically increase in intensity then subside). These sudden bursts of intense x-ray radiation apparently come from compact objects with a diameter smaller than 30 miles (48 kilometers). Yet, despite their minuscule size, a typical x-ray burster can release more x-ray energy in a single brief burst than our Sun does in an entire week. The HEAO-2, the first imaging and largest x-ray telescope built to date, was capable of producing actual photographs of x-ray objects. Shortly after launch, the HEAO-2 was nicknamed the Einstein Observatory by its scientific experimenters in honor of the centernial of the birth of Albert Einstein, whose concepts of relativity and gravitation have influenced much of modern astrophysics, particularly x-ray astronomy. The HEAO was designed and developed by TRW, Inc. under the project management of the Marshall Space Flight Center.

  13. Clustering Dycom

    KAUST Repository

    Minku, Leandro L.

    2017-10-06

    Background: Software Effort Estimation (SEE) can be formulated as an online learning problem, where new projects are completed over time and may become available for training. In this scenario, a Cross-Company (CC) SEE approach called Dycom can drastically reduce the number of Within-Company (WC) projects needed for training, saving the high cost of collecting such training projects. However, Dycom relies on splitting CC projects into different subsets in order to create its CC models. Such splitting can have a significant impact on Dycom\\'s predictive performance. Aims: This paper investigates whether clustering methods can be used to help finding good CC splits for Dycom. Method: Dycom is extended to use clustering methods for creating the CC subsets. Three different clustering methods are investigated, namely Hierarchical Clustering, K-Means, and Expectation-Maximisation. Clustering Dycom is compared against the original Dycom with CC subsets of different sizes, based on four SEE databases. A baseline WC model is also included in the analysis. Results: Clustering Dycom with K-Means can potentially help to split the CC projects, managing to achieve similar or better predictive performance than Dycom. However, K-Means still requires the number of CC subsets to be pre-defined, and a poor choice can negatively affect predictive performance. EM enables Dycom to automatically set the number of CC subsets while still maintaining or improving predictive performance with respect to the baseline WC model. Clustering Dycom with Hierarchical Clustering did not offer significant advantage in terms of predictive performance. Conclusion: Clustering methods can be an effective way to automatically generate Dycom\\'s CC subsets.

  14. Constraining hydrostatic mass bias of galaxy clusters with high-resolution X-ray spectroscopy

    Science.gov (United States)

    Ota, Naomi; Nagai, Daisuke; Lau, Erwin T.

    2018-04-01

    Gas motions in galaxy clusters play important roles in determining the properties of the intracluster medium (ICM) and in the constraint of cosmological parameters via X-ray and Sunyaev-Zel'dovich effect observations of galaxy clusters. The Hitomi measurements of gas motions in the core of the Perseus Cluster have provided new insights into the physics in galaxy clusters. The XARM mission, equipped with the Resolve X-ray micro-calorimeter, will continue Hitomi's legacy by measuring ICM motions through Doppler shifting and broadening of emission lines in a larger number of galaxy clusters, and at larger radii. In this work, we investigate how well we can measure bulk and turbulent gas motions in the ICM with XARM, by analyzing mock XARM simulations of galaxy clusters extracted from cosmological hydrodynamic simulations. We assess how photon counts, spectral fitting methods, multiphase ICM structure, deprojections, and region selection affect the measurements of gas motions. We first show that XARM is capable of recovering the underlying spherically averaged turbulent and bulk velocity profiles for dynamically relaxed clusters to within ˜50% with a reasonable amount of photon counts in the X-ray emission lines. We also find that there are considerable azimuthal variations in the ICM velocities, where the velocities measured in a single azimuthal direction can significantly deviate from the true value even in dynamically relaxed systems. Such variation must be taken into account when interpreting data and developing observing strategies. We will discuss the prospect of using the upcoming XARM mission to measure non-thermal pressure and to correct for the hydrostatic mass bias of galaxy clusters. Our results are broadly applicable for future X-ray missions, such as Athena and Lynx.

  15. Constraining hydrostatic mass bias of galaxy clusters with high-resolution X-ray spectroscopy

    Science.gov (United States)

    Ota, Naomi; Nagai, Daisuke; Lau, Erwin T.

    2018-06-01

    Gas motions in galaxy clusters play important roles in determining the properties of the intracluster medium (ICM) and in the constraint of cosmological parameters via X-ray and Sunyaev-Zel'dovich effect observations of galaxy clusters. The Hitomi measurements of gas motions in the core of the Perseus Cluster have provided new insights into the physics in galaxy clusters. The XARM mission, equipped with the Resolve X-ray micro-calorimeter, will continue Hitomi's legacy by measuring ICM motions through Doppler shifting and broadening of emission lines in a larger number of galaxy clusters, and at larger radii. In this work, we investigate how well we can measure bulk and turbulent gas motions in the ICM with XARM, by analyzing mock XARM simulations of galaxy clusters extracted from cosmological hydrodynamic simulations. We assess how photon counts, spectral fitting methods, multiphase ICM structure, deprojections, and region selection affect the measurements of gas motions. We first show that XARM is capable of recovering the underlying spherically averaged turbulent and bulk velocity profiles for dynamically relaxed clusters to within ˜50% with a reasonable amount of photon counts in the X-ray emission lines. We also find that there are considerable azimuthal variations in the ICM velocities, where the velocities measured in a single azimuthal direction can significantly deviate from the true value even in dynamically relaxed systems. Such variation must be taken into account when interpreting data and developing observing strategies. We will discuss the prospect of using the upcoming XARM mission to measure non-thermal pressure and to correct for the hydrostatic mass bias of galaxy clusters. Our results are broadly applicable for future X-ray missions, such as Athena and Lynx.

  16. Observations of High-Redshift X-Ray Selected Clusters with the Sunyaev-Zel'dovich Array

    Science.gov (United States)

    Muchovej, Stephen; Carlstrom, John E.; Cartwright, John; Greer, Christopher; Hawkins, David; Hennessey, Ryan; Joy, Marshall; Lamb, James; Leitch, Erik M.; Loh, Michael; hide

    2006-01-01

    We report measurements of the Sunyaev-Zel'dovich (SZ) effect in three high redshift (0.89 less than or equal to z less than or equal to 1.03), X-ray selected galaxy clusters. The observations were obtained at 30 GHz during the commissioning period of a new, eight-element interferometer - the Sunyaev-Zel'dovich Array (SZA) - built for dedicated SZ effect observations. The SZA observations are sensitive to angular scales larger than those subtended by the virial radii of the clusters. Assuming isothermality and hydrostatic equilibrium for the intracluster medium, and gas-mass fractions consistent with those for clusters at moderate redshift, we calculate electron temperatures, gas masses, and total cluster masses from the SZ data. The SZ-derived masses, integrated approximately to the virial radii, are 1.9 (sup +0.5)(sub -0.4) x 10(exp 14) solar mass for Cl J1415.1+3612, 3.4 (sup +0.6)(sub -0.5) x 10(exp 14) solar mass for Cl J1429.0+4241 and 7.2 (sup +1.3)(sub -0.9) x 10(exp 14) solar mass for Cl J1226.9+3332. The SZ-derived quantities are in good agreement with the cluster properties derived from X-ray measurements.

  17. 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.

  18. Relevant Subspace Clustering

    DEFF Research Database (Denmark)

    Müller, Emmanuel; Assent, Ira; Günnemann, Stephan

    2009-01-01

    Subspace clustering aims at detecting clusters in any subspace projection of a high dimensional space. As the number of possible subspace projections is exponential in the number of dimensions, the result is often tremendously large. Recent approaches fail to reduce results to relevant subspace...... clusters. Their results are typically highly redundant, i.e. many clusters are detected multiple times in several projections. In this work, we propose a novel model for relevant subspace clustering (RESCU). We present a global optimization which detects the most interesting non-redundant subspace clusters...... achieves top clustering quality while competing approaches show greatly varying performance....

  19. Anaerobic catabolism of aromatic compounds: a genetic and genomic view.

    Science.gov (United States)

    Carmona, Manuel; Zamarro, María Teresa; Blázquez, Blas; Durante-Rodríguez, Gonzalo; Juárez, Javier F; Valderrama, J Andrés; Barragán, María J L; García, José Luis; Díaz, Eduardo

    2009-03-01

    Aromatic compounds belong to one of the most widely distributed classes of organic compounds in nature, and a significant number of xenobiotics belong to this family of compounds. Since many habitats containing large amounts of aromatic compounds are often anoxic, the anaerobic catabolism of aromatic compounds by microorganisms becomes crucial in biogeochemical cycles and in the sustainable development of the biosphere. The mineralization of aromatic compounds by facultative or obligate anaerobic bacteria can be coupled to anaerobic respiration with a variety of electron acceptors as well as to fermentation and anoxygenic photosynthesis. Since the redox potential of the electron-accepting system dictates the degradative strategy, there is wide biochemical diversity among anaerobic aromatic degraders. However, the genetic determinants of all these processes and the mechanisms involved in their regulation are much less studied. This review focuses on the recent findings that standard molecular biology approaches together with new high-throughput technologies (e.g., genome sequencing, transcriptomics, proteomics, and metagenomics) have provided regarding the genetics, regulation, ecophysiology, and evolution of anaerobic aromatic degradation pathways. These studies revealed that the anaerobic catabolism of aromatic compounds is more diverse and widespread than previously thought, and the complex metabolic and stress programs associated with the use of aromatic compounds under anaerobic conditions are starting to be unraveled. Anaerobic biotransformation processes based on unprecedented enzymes and pathways with novel metabolic capabilities, as well as the design of novel regulatory circuits and catabolic networks of great biotechnological potential in synthetic biology, are now feasible to approach.

  20. Hall effect measurements of Frenkel defect clustering in aluminium during high-dose reactor irradiation at 4.6 K

    International Nuclear Information System (INIS)

    Boening, K.; Mauer, W.; Pfaendner, K.; Rosner, P.

    1976-01-01

    The low-field Hall coefficient R 0 of irradiated aluminium at 4.6 K is independent of the Frenkel defect (FD) concentration, however sensitively dependent of their configuration. Since measurement of R 0 is not too difficult, rather extensive investigations of FD clustering during irradiation can be performed, but only qualitative interpretations are possible. Several pure Al samples have been irradiated with reactor neutrons at 4.6 K up to very high doses phit resp. resistivity increments Δrho 0 (maximum 91% of extrapolated saturation value Δrho 0 sup(sat) approximately 980 nΩcm). The main results are 1.FD clustering within a single displacement cascade is not a very strong effect in Al, since the R 0 values are essentially the same after reactor and after electron irradiation. Rough cascade averages are: volume Vsub(c) approximately 2.1 x 10 5 at.vol. and FD concentration csub(c) approximately 1100 ppm. 2. There is practically no dose-dependent FD clustering up to Δrho 0 approximately 350 nΩcm, since R 0 remains essentially constant there. It follows that dose-dependent FD clustering can only occur for high-order overlap of cascade volumes. The differential dose curve dΔrho 0 /dphit is perfectly linear in Δrho 0 as long as R 0 = const. 3. For Δrho 0 > 350 nΩcm FD clustering becomes increasingly important and R 0 changes strongly. Surprisingly dR 0 /dphit approximately const whence there is a constant rate of cluster size increase in spite of the vanishing rate of FD production, evidence of the continuous regrouping of the lattice and its defects. (author)

  1. Aromatic chemical feedstocks from coal

    Energy Technology Data Exchange (ETDEWEB)

    Collin, G

    1982-06-01

    Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in the future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics.

  2. Aromatic raw materials from coal

    Energy Technology Data Exchange (ETDEWEB)

    Collin, G

    1982-06-01

    Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics. (In German)

  3. Prenatal exposure to polycyclic aromatic hydrocarbons/aromatics, BDNF and child development

    International Nuclear Information System (INIS)

    Perera, Frederica; Phillips, David H.; Wang, Ya; Roen, Emily; Herbstman, Julie; Rauh, Virginia; Wang, Shuang; Tang, Deliang

    2015-01-01

    Objectives: Within a New York City (NYC) birth cohort, we assessed the associations between polycyclic aromatic hydrocarbon (PAH) and other aromatic DNA adducts and brain derived neurotrophic factor (BDNF) concentrations in umbilical cord blood, and neurodevelopment at age 2 years and whether BDNF is a mediator of the associations between PAH/aromatic-DNA adducts and neurodevelopment. Methods: PAH/aromatic-DNA adduct concentrations in cord blood were measured in 505 children born to nonsmoking African-American and Dominican women residing in NYC, and a subset was assessed for neurodevelopment at 2 years using the Bayley Scales of Infant Development Mental Development Index (MDI). A spectrum of PAH/aromatic-DNA adducts was measured using the 32 P-postlabeling assay; DNA adducts formed by benzo[a]pyrene (B[a]P), a representative PAH, were measured by High Performance Liquid Chromatography (HPLC)/fluorescence. BDNF mature protein in cord blood plasma was quantified by an ELISA. Multivariate regression analysis, adjusting for potential confounders, was conducted. Results: PAH/aromatic-DNA adduct concentration measured by postlabeling was inversely associated with BDNF concentration (p=0.02) and with MDI scores at 2 years (p=0.04). BDNF level was positively associated with MDI scores (p=0.003). Restricting to subjects having all three measures (PAH/aromatic-DNA adducts by postlabeling, MDI, and BDNF), results were similar but attenuated (p=0.13, p=0.05, p=0.01, respectively). Associations between B[a]P-DNA adducts and BDNF and B[a]P-DNA adducts and MDI at age 2 years were not significant. At age 3 years, the positive association of BDNF with MDI was not observed. Conclusions: The results at age 2 suggest that prenatal exposure to a spectrum of PAH/aromatic pollutants may adversely affect early neurodevelopment, in part by reducing BDNF levels during the fetal period. However, the same relationship was not seen at age 3. - Highlights: • Cord blood Polycyclic Aromatic

  4. Prenatal exposure to polycyclic aromatic hydrocarbons/aromatics, BDNF and child development

    Energy Technology Data Exchange (ETDEWEB)

    Perera, Frederica, E-mail: fpp1@columbia.edu [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Phillips, David H. [Analytical and Environmental Sciences Division, MRC-PHE Centre for Environment and Health, King' s College London, Franklin-Wilkins Building, London SE1 9NH (United Kingdom); Wang, Ya [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Department of Biostatistics, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Roen, Emily; Herbstman, Julie [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Rauh, Virginia [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); The Heilbrunn Department of Population and Family Health, Columbia University, 60 Haven Avenue, New York, NY 10032 (United States); Wang, Shuang [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Department of Biostatistics, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Tang, Deliang [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States)

    2015-10-15

    Objectives: Within a New York City (NYC) birth cohort, we assessed the associations between polycyclic aromatic hydrocarbon (PAH) and other aromatic DNA adducts and brain derived neurotrophic factor (BDNF) concentrations in umbilical cord blood, and neurodevelopment at age 2 years and whether BDNF is a mediator of the associations between PAH/aromatic-DNA adducts and neurodevelopment. Methods: PAH/aromatic-DNA adduct concentrations in cord blood were measured in 505 children born to nonsmoking African-American and Dominican women residing in NYC, and a subset was assessed for neurodevelopment at 2 years using the Bayley Scales of Infant Development Mental Development Index (MDI). A spectrum of PAH/aromatic-DNA adducts was measured using the {sup 32}P-postlabeling assay; DNA adducts formed by benzo[a]pyrene (B[a]P), a representative PAH, were measured by High Performance Liquid Chromatography (HPLC)/fluorescence. BDNF mature protein in cord blood plasma was quantified by an ELISA. Multivariate regression analysis, adjusting for potential confounders, was conducted. Results: PAH/aromatic-DNA adduct concentration measured by postlabeling was inversely associated with BDNF concentration (p=0.02) and with MDI scores at 2 years (p=0.04). BDNF level was positively associated with MDI scores (p=0.003). Restricting to subjects having all three measures (PAH/aromatic-DNA adducts by postlabeling, MDI, and BDNF), results were similar but attenuated (p=0.13, p=0.05, p=0.01, respectively). Associations between B[a]P-DNA adducts and BDNF and B[a]P-DNA adducts and MDI at age 2 years were not significant. At age 3 years, the positive association of BDNF with MDI was not observed. Conclusions: The results at age 2 suggest that prenatal exposure to a spectrum of PAH/aromatic pollutants may adversely affect early neurodevelopment, in part by reducing BDNF levels during the fetal period. However, the same relationship was not seen at age 3. - Highlights: • Cord blood Polycyclic

  5. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier mobility in thin film transistor devices and mobilities up to 0.2 cm2/Vs were achieved. The optoelectronic properties of these fused aromatic thienopyrazine polymers (Eg = 1.3 to 1.6 eV, HOMO = -4.9 to -5.2 V) were tuned by introduction of various fused aromatic rings within thienopyrazine. By balancing the fundamental properties of these polymers, both high charge carrier mobilities and moderate PCEs in solar cells were achieved. Further, effects of copolymerizing units are discussed. Low band gap semiconducting polymer (Eg ∼ 1 eV) with high field effect mobility (0.044 cm2/Vs) was obtained using cyclopentadithiophene as copolymerizing unit. Finally, a molecular design approach to enhance the absorption coefficients is discussed, which resulted in improved power conversion efficiency in bulk heterojunction solar cells. © 2010 The Royal Society of Chemistry.

  6. EGRET upper limits to the high-energy gamma-ray emission from the millisecond pulsars in nearby globular clusters

    Science.gov (United States)

    Michelson, P. F.; Bertsch, D. L.; Brazier, K.; Chiang, J.; Dingus, B. L.; Fichtel, C. E.; Fierro, J.; Hartman, R. C.; Hunter, S. D.; Kanbach, G.

    1994-01-01

    We report upper limits to the high-energy gamma-ray emission from the millisecond pulsars (MSPs) in a number of globular clusters. The observations were done as part of an all-sky survey by the energetic Gamma Ray Experiment Telescope (EGRET) on the Compton Gamma Ray Observatory (CGRO) during Phase I of the CGRO mission (1991 June to 1992 November). Several theoretical models suggest that MSPs may be sources of high-energy gamma radiation emitted either as primary radiation from the pulsar magnetosphere or as secondary radiation generated by conversion into photons of a substantial part of the relativistic e(+/-) pair wind expected to flow from the pulsar. To date, no high-energy emission has been detected from an individual MSP. However, a large number of MSPs are expected in globular cluster cores where the formation rate of accreting binary systems is high. Model predictions of the total number of pulsars range in the hundreds for some clusters. These expectations have been reinforced by recent discoveries of a substantial number of radio MSPs in several clusters; for example, 11 have been found in 47 Tucanae (Manchester et al.). The EGRET observations have been used to obtain upper limits for the efficiency eta of conversion of MSP spin-down power into hard gamma rays. The upper limits are also compared with the gamma-ray fluxes predicted from theoretical models of pulsar wind emission (Tavani). The EGRET limits put significant constraints on either the emission models or the number of pulsars in the globular clusters.

  7. Channel processor in 2D cluster finding algorithm for high energy physics application

    International Nuclear Information System (INIS)

    Paul, Rourab; Chakrabarti, Amlan; Mitra, Jubin; Khan, Shuaib A.; Nayak, Tapan; Mukherjee, Sanjoy

    2016-01-01

    In a Large Ion Collider Experiment (ALICE) at CERN 1 TB/s (approximately) data comes from front end electronics. Previously, we had 1 GBT link operated with a cluster clock frequencies of 133 MHz and 320 MHz in Run 1 and Run 2 respectively. The cluster algorithm proposed in Run 1 and 2 could not work in Run 3 as the data speed increased almost 20 times. Older version cluster algorithm receives data sequentially as a stream. It has 2 main sub processes - Channel Processor, Merging process. The initial step of channel processor finds a peak Q max and sums up pads (sensors) data from -2 time bin to +2 time bin in the time direction. The computed value stores in a register named cluster fragment data (cfd o ). The merging process merges cfd o in pad direction. The data streams in Run 2 comes sequentially, which processed by the channel processor and merging block in a sequential manner with very less resource over head. In Run 3 data comes parallely, 1600 data from 1600 pads of a single time instant comes at each 200 ns interval (5 MHz) which is very challenging to process in the budgeted resource platform of Arria 10 FPGA hardware with 250 to 320 MHz cluster clock

  8. Cluster survey of the high-altitude cusp properties: a three-year statistical study

    Directory of Open Access Journals (Sweden)

    B. Lavraud

    2004-09-01

    Full Text Available The global characteristics of the high-altitude cusp and its surrounding regions are investigated using a three-year statistical survey based on data obtained by the Cluster spacecraft. The analysis involves an elaborate orbit-sampling methodology that uses a model field and takes into account the actual solar wind conditions and level of geomagnetic activity. The spatial distribution of the magnetic field and various plasma parameters in the vicinity of the low magnetic field exterior cusp are determined and it is found that: 1 The magnetic field distribution shows the presence of an intermediate region between the magnetosheath and the magnetosphere: the exterior cusp, 2 This region is characterized by the presence of dense plasma of magnetosheath origin; a comparison with the Tsyganenko (1996 magnetic field model shows that it is diamagnetic in nature, 3 The spatial distributions show that three distinct boundaries with the lobes, the dayside plasma sheet and the magnetosheath surround the exterior cusp, 4 The external boundary with the magnetosheath has a sharp bulk velocity gradient, as well as a density decrease and temperature increase as one goes from the magnetosheath to the exterior cusp, 5 While the two inner boundaries form a funnel, the external boundary shows no clear indentation, 6 The plasma and magnetic pressure distributions suggest that the exterior cusp is in equilibrium with its surroundings in a statistical sense, and 7 A preliminary analysis of the bulk flow distributions suggests that the exterior cusp is stagnant under northward IMF conditions but convective under southward IMF conditions.

  9. JMS: An Open Source Workflow Management System and Web-Based Cluster Front-End for High Performance Computing.

    Directory of Open Access Journals (Sweden)

    David K Brown

    Full Text Available 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.

  10. 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.

  11. 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

  12. Emerging Massive Star Clusters Revealed: High-Resolution Imaging of NGC 4449 from the Radio to the Ultraviolet

    Science.gov (United States)

    Reines, Amy E.; Johnson, Kelsey E.; Goss, W. M.

    2008-06-01

    We present a multi-wavelength study of embedded massive clusters in the nearby (3.9 Mpc) starburst galaxy NGC 4449 in an effort to uncover the earliest phases of massive cluster evolution. By combining high-resolution imaging from the radio to the ultraviolet, we reveal these clusters to be in the process of emerging from their gaseous and dusty birth cocoons. We use Very Large Array (VLA) observations at centimeter wavelengths to identify young clusters surrounded by ultra-dense H II regions, detectable via their production of thermal free-free radio continuum. Ultraviolet, optical and infrared observations are obtained from the Hubble and Spitzer Space Telescope archives for comparison. We detect 39 compact radio sources toward NGC 4449 at 3.6 cm using the highest resolution (1farcs3) and sensitivity (~12 μJy) VLA image of the galaxy to date. We reliably identify 13 thermal radio sources and derive their physical properties using both nebular emission from the H II regions and spectral energy distribution fitting to the stellar continuum. These radio-detected clusters have ages lsim5 Myr and stellar masses of order 104 M sun. The measured extinctions are quite low: 12 of the 13 thermal radio sources have A V lsim 1.5, while the most obscured source has A V ≈ 4.3. By combining results from the nebular and stellar emission, we find an I-band excess that is anti-correlated with cluster age and an apparent mass-age correlation. Additionally, we find evidence that local processes such as supernovae and stellar winds likely play an important role in triggering the current bursts of star formation within NGC 4449.

  13. Characteristics of high altitude oxygen ion energization and outflow as observed by Cluster: a statistical study

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, H.; Waara, M.; Arvelius, S.; Yamauchi, M.; Lundin, R. [Inst. of Space Physics, Kiruna (Sweden); Marghitu, O. [Max-Planck-Inst. fuer Extraterrestriche Physik, Garching (Germany); Inst. for Space Sciences, Bucharest (Romania); Bouhram, M. [Max-Planck-Inst. fuer Extraterrestriche Physik, Garching (Germany); CETP-CNRS, Saint-Maur (France); Hobara, Y. [Inst. of Space Physics, Kiruna (Sweden); Univ. of Sheffield, Sheffield (United Kingdom); Reme, H.; Sauvaud, J.A.; Dandouras, I. [Centre d' Etude Spatiale des Rayonnements, Toulouse (France); Balogh, A. [Imperial Coll. of Science, Technology and Medicine, London (United Kingdom); Kistler, L.M. [Univ. of New Hampshire, Durham (United States); Klecker, B. [Max-Planck-Inst. fuer Extraterrestriche Physik, Garching (Germany); Carlson, C.W. [Space Science Lab., Univ. of California, Berkeley (United States); Bavassano-Cattaneo, M.B. [Ist. di Fisica dello Spazio Interplanetario, Roma (Italy); Korth, A. [Max-Planck-Inst. fuer Sonnensystemforschung, Katlenburg-Lindau (Germany)

    2006-07-01

    The results of a statistical study of oxygen ion outflow using cluster data obtained at high altitude above the polar cap is reported. Moment data for both hydrogen ions (H{sup +}) and oxygen ions (O{sup +}) from 3 years (2001-2003) of spring orbits (January to May) have been used. The altitudes covered were mainly in the range 5-12 R{sub E} geocentric distance. It was found that O{sup +} is significantly transversely energized at high altitudes, indicated both by high perpendicular temperatures for low magnetic field values as well as by a tendency towards higher perpendicular than parallel temperature distributions for the highest observed temperatures. The O{sup +} parallel bulk velocity increases with altitude in particular for the lowest observed altitude intervals. O{sup +} parallel bulk velocities in excess of 60 km s{sup -1} were found mainly at higher altitudes corresponding to magnetic field strengths of less than 100 nT. For the highest observed parallel bulk velocities of O{sup +} the thermal velocity exceeds the bulk velocity, indicating that the beam-like character of the distribution is lost. The parallel bulk velocity of the H{sup +} and O{sup +} was found to typically be close to the same throughout the observation interval when the H{sup +} bulk velocity was calculated for all pitch-angles. When the H{sup +} bulk velocity was calculated for upward moving particles only the H{sup +} parallel bulk velocity was typically higher than that of O{sup +}. The parallel bulk velocity is close to the same for a wide range of relative abundance of the two ion species, including when the O{sup +} ions dominates. The thermal velocity of O{sup +} was always well below that of H{sup +}. Thus perpendicular energization that is more effective for O{sup +} takes place, but this is not enough to explain the close to similar parallel velocities. Further parallel acceleration must occur. The results presented constrain the models of perpendicular heating and parallel

  14. Characteristics of high altitude oxygen ion energization and outflow as observed by Cluster: a statistical study

    Directory of Open Access Journals (Sweden)

    H. Nilsson

    2006-05-01

    Full Text Available The results of a statistical study of oxygen ion outflow using Cluster data obtained at high altitude above the polar cap is reported. Moment data for both hydrogen ions (H+ and oxygen ions (O+ from 3 years (2001-2003 of spring orbits (January to May have been used. The altitudes covered were mainly in the range 5–12 RE geocentric distance. It was found that O+ is significantly transversely energized at high altitudes, indicated both by high perpendicular temperatures for low magnetic field values as well as by a tendency towards higher perpendicular than parallel temperature distributions for the highest observed temperatures. The O+ parallel bulk velocity increases with altitude in particular for the lowest observed altitude intervals. O+ parallel bulk velocities in excess of 60 km s-1 were found mainly at higher altitudes corresponding to magnetic field strengths of less than 100 nT. For the highest observed parallel bulk velocities of O+ the thermal velocity exceeds the bulk velocity, indicating that the beam-like character of the distribution is lost. The parallel bulk velocity of the H+ and O+ was found to typically be close to the same throughout the observation interval when the H+ bulk velocity was calculated for all pitch-angles. When the H+ bulk velocity was calculated for upward moving particles only the H+ parallel bulk velocity was typically higher than that of O+. The parallel bulk velocity is close to the same for a wide range of relative abundance of the two ion species, including when the O+ ions dominates. The thermal velocity of O+ was always well below that of H+. Thus perpendicular energization that is more effective for O+ takes place, but this is not enough to explain the close to similar parallel velocities. Further

  15. Characteristics of high altitude oxygen ion energization and outflow as observed by Cluster: a statistical study

    Directory of Open Access Journals (Sweden)

    H. Nilsson

    2006-05-01

    Full Text Available The results of a statistical study of oxygen ion outflow using Cluster data obtained at high altitude above the polar cap is reported. Moment data for both hydrogen ions (H+ and oxygen ions (O+ from 3 years (2001-2003 of spring orbits (January to May have been used. The altitudes covered were mainly in the range 5–12 RE geocentric distance. It was found that O+ is significantly transversely energized at high altitudes, indicated both by high perpendicular temperatures for low magnetic field values as well as by a tendency towards higher perpendicular than parallel temperature distributions for the highest observed temperatures. The O+ parallel bulk velocity increases with altitude in particular for the lowest observed altitude intervals. O+ parallel bulk velocities in excess of 60 km s-1 were found mainly at higher altitudes corresponding to magnetic field strengths of less than 100 nT. For the highest observed parallel bulk velocities of O+ the thermal velocity exceeds the bulk velocity, indicating that the beam-like character of the distribution is lost. The parallel bulk velocity of the H+ and O+ was found to typically be close to the same throughout the observation interval when the H+ bulk velocity was calculated for all pitch-angles. When the H+ bulk velocity was calculated for upward moving particles only the H+ parallel bulk velocity was typically higher than that of O+. The parallel bulk velocity is close to the same for a wide range of relative abundance of the two ion species, including when the O+ ions dominates. The thermal velocity of O+ was always well below that of H+. Thus perpendicular energization that is more effective for O+ takes place, but this is not enough to explain the close to similar parallel velocities. Further parallel acceleration must occur. The results presented constrain the models of perpendicular heating and parallel acceleration. In particular centrifugal acceleration of the outflowing ions, which may

  16. Hierarchical Clustering of Large Databases and Classification of Antibiotics at High Noise Levels

    Directory of Open Access Journals (Sweden)

    Alexander V. Yarkov

    2008-12-01

    Full Text Available A new algorithm for divisive hierarchical clustering of chemical compounds based on 2D structural fragments is suggested. The algorithm is deterministic, and given a random ordering of the input, will always give the same clustering and can process a database up to 2 million records on a standard PC. The algorithm was used for classification of 1,183 antibiotics mixed with 999,994 random chemical structures. Similarity threshold, at which best separation of active and non active compounds took place, was estimated as 0.6. 85.7% of the antibiotics were successfully classified at this threshold with 0.4% of inaccurate compounds. A .sdf file was created with the probe molecules for clustering of external databases.

  17. STEMsalabim: A high-performance computing cluster friendly code for scanning transmission electron microscopy image simulations of thin specimens

    International Nuclear Information System (INIS)

    Oelerich, Jan Oliver; Duschek, Lennart; Belz, Jürgen; Beyer, Andreas; Baranovskii, Sergei D.; Volz, Kerstin

    2017-01-01

    Highlights: • We present STEMsalabim, a modern implementation of the multislice algorithm for simulation of STEM images. • Our package is highly parallelizable on high-performance computing clusters, combining shared and distributed memory architectures. • With STEMsalabim, computationally and memory expensive STEM image simulations can be carried out within reasonable time. - Abstract: We present a new multislice code for the computer simulation of scanning transmission electron microscope (STEM) images based on the frozen lattice approximation. Unlike existing software packages, the code is optimized to perform well on highly parallelized computing clusters, combining distributed and shared memory architectures. This enables efficient calculation of large lateral scanning areas of the specimen within the frozen lattice approximation and fine-grained sweeps of parameter space.

  18. Accounting for Cosmic Variance in Studies of Gravitationally Lensed High-redshift Galaxies in the Hubble Frontier Field Clusters

    Science.gov (United States)

    Robertson, Brant E.; Ellis, Richard S.; Dunlop, James S.; McLure, Ross J.; Stark, Dan P.; McLeod, Derek

    2014-12-01

    Strong gravitational lensing provides a powerful means for studying faint galaxies in the distant universe. By magnifying the apparent brightness of background sources, massive clusters enable the detection of galaxies fainter than the usual sensitivity limit for blank fields. However, this gain in effective sensitivity comes at the cost of a reduced survey volume and, in this Letter, we demonstrate that there is an associated increase in the cosmic variance uncertainty. As an example, we show that the cosmic variance uncertainty of the high-redshift population viewed through the Hubble Space Telescope Frontier Field cluster Abell 2744 increases from ~35% at redshift z ~ 7 to >~ 65% at z ~ 10. Previous studies of high-redshift galaxies identified in the Frontier Fields have underestimated the cosmic variance uncertainty that will affect the ultimate constraints on both the faint-end slope of the high-redshift luminosity function and the cosmic star formation rate density, key goals of the Frontier Field program.

  19. STEMsalabim: A high-performance computing cluster friendly code for scanning transmission electron microscopy image simulations of thin specimens

    Energy Technology Data Exchange (ETDEWEB)

    Oelerich, Jan Oliver, E-mail: jan.oliver.oelerich@physik.uni-marburg.de; Duschek, Lennart; Belz, Jürgen; Beyer, Andreas; Baranovskii, Sergei D.; Volz, Kerstin

    2017-06-15

    Highlights: • We present STEMsalabim, a modern implementation of the multislice algorithm for simulation of STEM images. • Our package is highly parallelizable on high-performance computing clusters, combining shared and distributed memory architectures. • With STEMsalabim, computationally and memory expensive STEM image simulations can be carried out within reasonable time. - Abstract: We present a new multislice code for the computer simulation of scanning transmission electron microscope (STEM) images based on the frozen lattice approximation. Unlike existing software packages, the code is optimized to perform well on highly parallelized computing clusters, combining distributed and shared memory architectures. This enables efficient calculation of large lateral scanning areas of the specimen within the frozen lattice approximation and fine-grained sweeps of parameter space.

  20. HDclassif : An R Package for Model-Based Clustering and Discriminant Analysis of High-Dimensional Data

    Directory of Open Access Journals (Sweden)

    Laurent Berge

    2012-01-01

    Full Text Available This paper presents the R package HDclassif which is devoted to the clustering and the discriminant analysis of high-dimensional data. The classification methods proposed in the package result from a new parametrization of the Gaussian mixture model which combines the idea of dimension reduction and model constraints on the covariance matrices. The supervised classification method using this parametrization is called high dimensional discriminant analysis (HDDA. In a similar manner, the associated clustering method iscalled high dimensional data clustering (HDDC and uses the expectation-maximization algorithm for inference. In order to correctly t the data, both methods estimate the specific subspace and the intrinsic dimension of the groups. Due to the constraints on the covariance matrices, the number of parameters to estimate is significantly lower than other model-based methods and this allows the methods to be stable and efficient in high dimensions. Two introductory examples illustrated with R codes allow the user to discover the hdda and hddc functions. Experiments on simulated and real datasets also compare HDDC and HDDA with existing classification methods on high-dimensional datasets. HDclassif is a free software and distributed under the general public license, as part of the R software project.

  1. Deuteration of benzen derivatives and condensed aromatics

    International Nuclear Information System (INIS)

    Ichikawa, Masaru.

    1970-01-01

    A process for the deuteration of aromatic compounds (benzene derivatives having one or more cyano, halogeno, nitro or other electron attractive groups, and condensed ring aromatics) is provided. The process comprises reducing said aromatic compound with an alkali metal (preferably K, Rb or Cs) in a solvent (dimethoxyethane, tetrahydrofuran, etc.) to provide an electron-acceptor-donor complex, which is followed by introducing gaseous deuterium into the solution. The deuteration takes place selectively at the position of highest electron density in accordance with nature of the substituent, regardless of steric hindrance. The process is applicable to a wide variety of aromatics to give deuterated compounds in high yields. In one example, 5x10 -3 mole of anthracene (An) was reacted with 2g of metallic potassium in 80cc of dimethoxyethane in a N 2 atmosphere. Into the resulting solution of An=2K + was introduced D 2 gas (30 cmHg) at 25 0 C. After decomposition with air and washing with alcohol, the precipitate was recrystallized from benzene. Yield of recovered AN: more than 90%. Yield of deuteration: 100%. Position of deuteration: 9 and 10 (revealed by NMR and mass spectroscopy). (Kaichi, S.)

  2. Cluster observations of the high-latitude magnetopause and cusp: initial results from the CIS ion instruments

    Directory of Open Access Journals (Sweden)

    J. M. Bosqued

    2001-09-01

    Full Text Available Launched on an elliptical high inclination orbit (apogee: 19.6 RE since January 2001 the Cluster satellites have been conducting the first detailed three-dimensional studies of the high-latitude dayside magnetosphere, including the exterior cusp, neighbouring boundary layers and magnetopause regions. Cluster satellites carry the CIS ion spectrometers that provide high-precision, 3D distributions of low-energy (<35 keV/e ions every 4 s. This paper presents the first two observations of the cusp and/or magnetopause behaviour made under different interplanetary magnetic field (IMF conditions. Flow directions, 3D distribution functions, density profiles and ion composition profiles are analyzed to demonstrate the high variability of high-latitude regions. In the first crossing analyzed (26 January 2001, dusk side, IMF-BZ < 0, multiple, isolated boundary layer, magnetopause and magnetosheath encounters clearly occurred on a quasi-steady basis for ~ 2 hours. CIS ion instruments show systematic accelerated flows in the current layer and adjacent boundary layers on the Earthward side of the magnetopause. Multi-point analysis of the magnetopause, combining magnetic and plasma data from the four Cluster spacecraft, demonstrates that oscillatory outward-inward motions occur with a normal speed of the order of ± 40 km/s; the thickness of the high-latitude current layer is evaluated to be of the order of 900–1000 km. Alfvénic accelerated flows and D-shaped distributions are convincing signatures of a magnetic reconnection occurring equatorward of the Cluster satellites. Moreover, the internal magnetic and plasma structure of a flux transfer event (FTE is analyzed in detail; its size along the magnetopause surface is ~ 12 000 km and it convects with a velocity of ~ 200 km/s. The second event analyzed (2 February 2001 corresponds to the first Cluster pass within the cusp when the IMF-BZ component was northward directed. The analysis of relevant CIS plasma

  3. Cluster observations of the high-latitude magnetopause and cusp: initial results from the CIS ion instruments

    Directory of Open Access Journals (Sweden)

    J. M. Bosqued

    Full Text Available Launched on an elliptical high inclination orbit (apogee: 19.6 RE since January 2001 the Cluster satellites have been conducting the first detailed three-dimensional studies of the high-latitude dayside magnetosphere, including the exterior cusp, neighbouring boundary layers and magnetopause regions. Cluster satellites carry the CIS ion spectrometers that provide high-precision, 3D distributions of low-energy (<35 keV/e ions every 4 s. This paper presents the first two observations of the cusp and/or magnetopause behaviour made under different interplanetary magnetic field (IMF conditions. Flow directions, 3D distribution functions, density profiles and ion composition profiles are analyzed to demonstrate the high variability of high-latitude regions. In the first crossing analyzed (26 January 2001, dusk side, IMF-BZ < 0, multiple, isolated boundary layer, magnetopause and magnetosheath encounters clearly occurred on a quasi-steady basis for ~ 2 hours. CIS ion instruments show systematic accelerated flows in the current layer and adjacent boundary layers on the Earthward side of the magnetopause. Multi-point analysis of the magnetopause, combining magnetic and plasma data from the four Cluster spacecraft, demonstrates that oscillatory outward-inward motions occur with a normal speed of the order of ± 40 km/s; the thickness of the high-latitude current layer is evaluated to be of the order of 900–1000 km. Alfvénic accelerated flows and D-shaped distributions are convincing signatures of a magnetic reconnection occurring equatorward of the Cluster satellites. Moreover, the internal magnetic and plasma structure of a flux transfer event (FTE is analyzed in detail; its size along the magnetopause surface is ~ 12 000 km and it convects with a velocity of ~ 200 km/s. The second event analyzed (2 February 2001 corresponds to the first Cluster pass within the cusp when the IMF-BZ component was northward directed. The analysis of

  4. Parameters that affect parallel processing for computational electromagnetic simulation codes on high performance computing clusters

    Science.gov (United States)

    Moon, Hongsik

    changing computer hardware platforms in order to provide fast, accurate and efficient solutions to large, complex electromagnetic problems. The research in this dissertation proves that the performance of parallel code is intimately related to the configuration of the computer hardware and can be maximized for different hardware platforms. To benchmark and optimize the performance of parallel CEM software, a variety of large, complex projects are created and executed on a variety of computer platforms. The computer platforms used in this research are detailed in this dissertation. The projects run as benchmarks are also described in detail and results are presented. The parameters that affect parallel CEM software on High Performance Computing Clusters (HPCC) are investigated. This research demonstrates methods to maximize the performance of parallel CEM software code.

  5. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  6. 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

    comparative studies on the advantages and disadvantages of the different algorithms exist. Part of the underlying problem is the lack of available open source implementations that could be used by researchers to understand, compare, and extend subspace and projected clustering algorithms. In this work, we...

  7. High-Resolution Infrared Spectroscopy of Imidazole Clusters in Helium Droplets Using Quantum Cascade Lasers

    Science.gov (United States)

    Mani, Devendra; Can, Cihad; Pal, Nitish; Schwaab, Gerhard; Havenith, Martina

    2017-06-01

    Imidazole ring is a part of many biologically important molecules and drugs. Imidazole monomer, dimer and its complexes with water have earlier been studied using infrared spectroscopy in helium droplets^{1,2} and molecular beams^{3}. These studies were focussed on the N-H and O-H stretch regions, covering the spectral region of 3200-3800 \\wn. We have extended the studies on imidazole clusters into the ring vibration region. The imidazole clusters were isolated in helium droplets and were probed using a combination of infrared spectroscopy and mass spectrometry. The spectra in the region of 1000-1100 \\wn and 1300-1460 \\wn were recorded using quantum cascade lasers. Some of the observed bands could be assigned to imidazole monomer and higher order imidazole clusters, using pickup curve analysis and ab initio calculations. Work is still in progress. The results will be discussed in detail in the talk. References: 1) M.Y. Choi and R.E. Miller, J. Phys. Chem. A, 110, 9344 (2006). 2) M.Y. Choi and R.E. Miller, Chem. Phys. Lett., 477, 276 (2009). 3) J. Zischang, J. J. Lee and M. Suhm, J. Chem. Phys., 135, 061102 (2011). Note: This work was supported by the Cluster of Excellence RESOLV (Ruhr-Universitat EXC1069) funded by the Deutsche Forschungsgemeinschaft.

  8. Tracing Clusters to High Red-shift Ray P. Norris & the EMU Team

    Indian Academy of Sciences (India)

    The outputs of the 96 dual-polarization receivers are combined in a beam-former to form up to 36 beams ... Initial observations will produce a global sky model (an accurate descrip- tion of all sources stronger than .... To use radio sources to trace clusters and large-scale structure, and explore the astrophysics of dark matter ...

  9. Continuous Learning Graphical Knowledge Unit for Cluster Identification in High Density Data Sets

    Directory of Open Access Journals (Sweden)

    K.K.L.B. Adikaram

    2016-12-01

    Full Text Available Big data are visually cluttered by overlapping data points. Rather than removing, reducing or reformulating overlap, we propose a simple, effective and powerful technique for density cluster generation and visualization, where point marker (graphical symbol of a data point overlap is exploited in an additive fashion in order to obtain bitmap data summaries in which clusters can be identified visually, aided by automatically generated contour lines. In the proposed method, the plotting area is a bitmap and the marker is a shape of more than one pixel. As the markers overlap, the red, green and blue (RGB colour values of pixels in the shared region are added. Thus, a pixel of a 24-bit RGB bitmap can code up to 224 (over 1.6 million overlaps. A higher number of overlaps at the same location makes the colour of this area identical, which can be identified by the naked eye. A bitmap is a matrix of colour values that can be represented as integers. The proposed method updates this matrix while adding new points. Thus, this matrix can be considered as an up-to-time knowledge unit of processed data. Results show cluster generation, cluster identification, missing and out-of-range data visualization, and outlier detection capability of the newly proposed method.

  10. Refined energetic ordering for sulphate-water (n = 3-6) clusters using high-level electronic structure calculations

    Science.gov (United States)

    Lambrecht, Daniel S.; McCaslin, Laura; Xantheas, Sotiris S.; Epifanovsky, Evgeny; Head-Gordon, Martin

    2012-10-01

    This work reports refinements of the energetic ordering of the known low-energy structures of sulphate-water clusters ? (n = 3-6) using high-level electronic structure methods. Coupled cluster singles and doubles with perturbative triples (CCSD(T)) is used in combination with an estimate of basis set effects up to the complete basis set limit using second-order Møller-Plesset theory. Harmonic zero-point energy (ZPE), included at the B3LYP/6-311 + + G(3df,3pd) level, was found to have a significant effect on the energetic ordering. In fact, we show that the energetic ordering is a result of a delicate balance between the electronic and vibrational energies. Limitations of the ZPE calculations, both due to electronic structure errors, and use of the harmonic approximation, probably constitute the largest remaining errors. Due to the often small energy differences between cluster isomers, and the significant role of ZPE, deuteration can alter the relative energies of low-lying structures, and, when it is applied in conjunction with calculated harmonic ZPEs, even alters the global minimum for n = 5. Experiments on deuterated clusters, as well as more sophisticated vibrational calculations, may therefore be quite interesting.

  11. Highly stable polymer coated nano-clustered silver plates: a multimodal optical contrast agent for biomedical imaging

    International Nuclear Information System (INIS)

    Ray, Aniruddha; Mukundan, Ananya; Karamchand, Leshern; Kopelman, Raoul; Xie, Zhixing; Wang, Xueding

    2014-01-01

    Here, we present a new optical contrast agent based on silver nanoplate clusters embedded inside of a polymer nano matrix. Unlike nanosphere clusters, which have been well studied, nanoplate clusters have unique properties due to the different possible orientations of interaction between the individual plates, resulting in a significant broadening of the absorption spectra. These nanoclusters were immobilized inside of a polymer cladding so as to maintain their stability and optical properties under in vivo conditions. The polymer-coated silver nanoplate clusters show a lower toxicity compared to the uncoated nanoparticles. At high nanoparticle concentrations, cell death occurs mostly due to apoptosis. These nanoparticles were used for targeted fluorescence imaging in a rat glioma cell line by incorporating a fluorescent dye into the matrix, followed by conjugation of a tumor targeting an F3 peptide. We further used these nanoparticles as photoacoustic contrast agents in vivo to enhance the contrast of the vasculature structures in a rat ear model. We observed a contrast enhancement of over 90% following the nanoparticle injection. It is also shown that these NPs can serve as efficient contrast agents, with specific targeting abilities for broadband multimodal imaging that are usable for diagnostic applications and that extend into use as therapeutic agents as well. (paper)

  12. SERPENS CLUSTER B AND VV SER OBSERVED WITH HIGH SPATIAL RESOLUTION AT 70, 160, AND 350 μm

    International Nuclear Information System (INIS)

    Harvey, Paul; Dunham, Michael M.

    2009-01-01

    We report on diffraction-limited observations in the far-infrared (FIR) and submillimeter of the Cluster B region of Serpens (G3-G6 Cluster) and of the Herbig Be star to the south, VV Ser. The observations were made with the Spitzer/MIPS instrument in fine-scale mode at 70 μm, in a normal mapping mode at 160 μm (VV Ser only), and the Caltech Submillimeter Observatory (CSO) Submillimeter High Angular Resolution Camera II (SHARC-II) camera at 350 μm (Cluster B only). We use these data to define the spectral energy distributions of the tightly grouped members of Cluster B, many of whose spectral energy distribution (SED)'s peak in the FIR. We compare our results to those of the c2d survey of Serpens and to published models for the FIR emission from VV Ser. We find that values of L bol and T bol calculated with our new photometry show only modest changes from previous values, and that most source SED classifications remain unchanged.

  13. Continuous Innovation and Business Development in High-tech SME Clusters: A Change Point Analysis and Assessment Approach

    DEFF Research Database (Denmark)

    Müller, Sabine; Neergaard, Helle; Ulhøi, John Parm

    The aim of this paper is to  propose an integrated methodological approach to study  complex  and  longitudinal  processes  such  as  continuous  innovation  and business development in high-tech SME clusters. It draws from four existing and  well-recognised approaches for studying events...... is especially helpful for studies which focus on continuous innovation and  business development in high-tech SME clusters as these  studies  could  benefit  tremendously  from  more qualitative  approaches, which  facilitate  in-depth  understanding  continuous  and  changing  processes. Therefore, major...

  14. Trajectories of Symptom Clusters, Performance Status, and Quality of Life During Concurrent Chemoradiotherapy in Patients With High-Grade Brain Cancers.

    Science.gov (United States)

    Kim, Sang-Hee; Byun, Youngsoon

    Symptom clusters must be identified in patients with high-grade brain cancers for effective symptom management during cancer-related therapy. The aims of this study were to identify symptom clusters in patients with high-grade brain cancers and to determine the relationship of each cluster with the performance status and quality of life (QOL) during concurrent chemoradiotherapy (CCRT). Symptoms were assessed using the Memorial Symptom Assessment Scale, and the performance status was evaluated using the Karnofsky Performance Scale. Quality of life was assessed using the Functional Assessment of Cancer Therapy-General. This prospective longitudinal survey was conducted before CCRT and at 2 to 3 weeks and 4 to 6 weeks after the initiation of CCRT. A total of 51 patients with newly diagnosed primary malignant brain cancer were included. Six symptom clusters were identified, and 2 symptom clusters were present at each time point (ie, "negative emotion" and "neurocognitive" clusters before CCRT, "negative emotion and decreased vitality" and "gastrointestinal and decreased sensory" clusters at 2-3 weeks, and "body image and decreased vitality" and "gastrointestinal" clusters at 4-6 weeks). The symptom clusters at each time point demonstrated a significant relationship with the performance status or QOL. Differences were observed in symptom clusters in patients with high-grade brain cancers during CCRT. In addition, the symptom clusters were correlated with the performance status and QOL of patients, and these effects could change during CCRT. The results of this study will provide suggestions for interventions to treat or prevent symptom clusters in patients with high-grade brain cancer during CCRT.

  15. Catalytic aromatization of methane.

    Science.gov (United States)

    Spivey, James J; Hutchings, Graham

    2014-02-07

    Recent developments in natural gas production technology have led to lower prices for methane and renewed interest in converting methane to higher value products. Processes such as those based on syngas from methane reforming are being investigated. Another option is methane aromatization, which produces benzene and hydrogen: 6CH4(g) → C6H6(g) + 9H2(g) ΔG°(r) = +433 kJ mol(-1) ΔH°(r) = +531 kJ mol(-1). Thermodynamic calculations for this reaction show that benzene formation is insignificant below ∼600 °C, and that the formation of solid carbon [C(s)] is thermodynamically favored at temperatures above ∼300 °C. Benzene formation is insignificant at all temperatures up to 1000 °C when C(s) is included in the calculation of equilibrium composition. Interestingly, the thermodynamic limitation on benzene formation can be minimized by the addition of alkanes/alkenes to the methane feed. By far the most widely studied catalysts for this reaction are Mo/HZSM-5 and Mo/MCM-22. Benzene selectivities are generally between 60 and 80% at methane conversions of ∼10%, corresponding to net benzene yields of less than 10%. Major byproducts include lower molecular weight hydrocarbons and higher molecular weight substituted aromatics. However, carbon formation is inevitable, but the experimental findings show this can be kinetically limited by the use of H2 or oxidants in the feed, including CO2 or steam. A number of reactor configurations involving regeneration of the carbon-containing catalyst have been developed with the goal of minimizing the cost of regeneration of the catalyst once deactivated by carbon deposition. In this tutorial review we discuss the thermodynamics of this process, the catalysts used and the potential reactor configurations that can be applied.

  16. CHEMICAL ABUNDANCE EVIDENCE OF ENDURING HIGH STAR FORMATION RATES IN AN EARLY-TYPE GALAXY: HIGH [Ca/Fe] IN NGC 5128 GLOBULAR CLUSTERS

    International Nuclear Information System (INIS)

    Colucci, Janet E.; Durán, María Fernanda; Bernstein, Rebecca A.; McWilliam, Andrew

    2013-01-01

    We present [Fe/H], ages, and Ca abundances for an initial sample of 10 globular clusters in NGC 5128 obtained from high-resolution, high signal-to-noise ratio echelle spectra of their integrated light. All abundances and ages are obtained using our original technique for high-resolution integrated light abundance analysis of globular clusters. The clusters have a range in [Fe/H] between –1.6 and –0.2. In this sample, the average [Ca/Fe] for clusters with [Fe/H] <–0.4 is +0.37 ± 0.07, while the average [Ca/Fe] in our Milky Way (MW) and M31 GC samples is +0.29 ± 0.09 and +0.24 ± 0.10, respectively. This may imply a more rapid chemical enrichment history for NGC 5128 than for either the MW or M31. This sample provides the first quantitative picture of the chemical history of NGC 5128 that is directly comparable to what is available for the MW. Data presented here were obtained with the MIKE echelle spectrograph on the Magellan Clay Telescope

  17. CHEMICAL ABUNDANCE EVIDENCE OF ENDURING HIGH STAR FORMATION RATES IN AN EARLY-TYPE GALAXY: HIGH [Ca/Fe] IN NGC 5128 GLOBULAR CLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Colucci, Janet E.; Duran, Maria Fernanda; Bernstein, Rebecca A. [Department of Astronomy and Astrophysics, 1156 High Street, UCO/Lick Observatory, University of California, Santa Cruz, CA 95064 (United States); McWilliam, Andrew, E-mail: jcolucci@ucolick.org [Observatories of the Carnegie Institute of Washington, 813 Santa Barbara Street, Pasadena, CA 91101-1292 (United States)

    2013-08-20

    We present [Fe/H], ages, and Ca abundances for an initial sample of 10 globular clusters in NGC 5128 obtained from high-resolution, high signal-to-noise ratio echelle spectra of their integrated light. All abundances and ages are obtained using our original technique for high-resolution integrated light abundance analysis of globular clusters. The clusters have a range in [Fe/H] between -1.6 and -0.2. In this sample, the average [Ca/Fe] for clusters with [Fe/H] <-0.4 is +0.37 {+-} 0.07, while the average [Ca/Fe] in our Milky Way (MW) and M31 GC samples is +0.29 {+-} 0.09 and +0.24 {+-} 0.10, respectively. This may imply a more rapid chemical enrichment history for NGC 5128 than for either the MW or M31. This sample provides the first quantitative picture of the chemical history of NGC 5128 that is directly comparable to what is available for the MW. Data presented here were obtained with the MIKE echelle spectrograph on the Magellan Clay Telescope.

  18. Chemical Abundance Evidence of Enduring High Star Formation Rates in an Early-type Galaxy: High [Ca/Fe] in NGC 5128 Globular Clusters

    Science.gov (United States)

    Colucci, Janet E.; Fernanda Durán, María; Bernstein, Rebecca A.; McWilliam, Andrew

    2013-08-01

    We present [Fe/H], ages, and Ca abundances for an initial sample of 10 globular clusters in NGC 5128 obtained from high-resolution, high signal-to-noise ratio echelle spectra of their integrated light. All abundances and ages are obtained using our original technique for high-resolution integrated light abundance analysis of globular clusters. The clusters have a range in [Fe/H] between -1.6 and -0.2. In this sample, the average [Ca/Fe] for clusters with [Fe/H] <-0.4 is +0.37 ± 0.07, while the average [Ca/Fe] in our Milky Way (MW) and M31 GC samples is +0.29 ± 0.09 and +0.24 ± 0.10, respectively. This may imply a more rapid chemical enrichment history for NGC 5128 than for either the MW or M31. This sample provides the first quantitative picture of the chemical history of NGC 5128 that is directly comparable to what is available for the MW. Data presented here were obtained with the MIKE echelle spectrograph on the Magellan Clay Telescope. This Letter includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

  19. Latent Cluster Analysis of Instructional Practices Reported by High- and Low-performing Mathematics Teachers in Four Countries

    OpenAIRE

    Cheng, Qiang; Hsu, Hsien-Yuan

    2017-01-01

    Using Trends in International Mathematics and Science Study (TIMSS) 2011 eighth-grade international dataset, this study explored the profiles of instructional practices reported by high- and low-performing mathematics teachers across the US, Finland, Korea, and Russia. Concepts of conceptual teaching and procedural teaching were used to frame the design of the current study. Latent cluster analysis was applied in the investigation of the profiles of mathematics teachers’ instructional practic...

  20. High concentrations of polycyclic aromatic hydrocarbons found in water and sediments of car wash and Kisat areas of Winam Gulf, Lake Victoria-Kenya.

    Science.gov (United States)

    Kwach, B O; Lalah, J O

    2009-11-01

    Mean concentrations of selected USEPA priority polycyclic aromatic hydrocarbons (PAHs) in surface sediments and water samples from Car Wash and Kisat areas of Winam Gulf, Lake Victoria in Kenya have been determined using GC-FID and GC-MS. Sampling was done during the rainy season in April 2006. The PAH concentrations in sediment and water ranged from 0.04 to 31.95 microg/g dry weight and 3.32 to 55.8 microg/L, respectively, depending upon the sampling location. The total concentration levels of PAHs in both the sediment and water phase in this study were found to be much higher compared with those reported from other regions worldwide, revealing significant PAH pollution of Car Wash and Kisat areas of Kisumu city bay as a consequent of anthropogenic activities as described in the text. The GC-detected PAHs were confirmed by GC-MS.

  1. Performance of space charge simulations using High Performance Computing (HPC) cluster

    CERN Document Server

    Bartosik, Hannes; CERN. Geneva. ATS Department

    2017-01-01

    In 2016 a collaboration agreement between CERN and Istituto Nazionale di Fisica Nucleare (INFN) through its Centro Nazionale Analisi Fotogrammi (CNAF, Bologna) was signed [1], which foresaw the purchase and installation of a cluster of 20 nodes with 32 cores each, connected with InfiniBand, at CNAF for the use of CERN members to develop parallelized codes as well as conduct massive simulation campaigns with the already available parallelized tools. As outlined in [1], after the installation and the set up of the first 12 nodes, the green light to proceed with the procurement and installation of the next 8 nodes can be given only after successfully passing an acceptance test based on two specific benchmark runs. This condition is necessary to consider the first batch of the cluster operational and complying with the desired performance specifications. In this brief note, we report the results of the above mentioned acceptance test.

  2. Cluster tool for in situ processing and comprehensive characteriza tion of thin films at high temperatures.

    Science.gov (United States)

    Wenisch, Robert; Lungwitz, Frank; Hanf, Daniel; Heller, Rene; Zscharschuch, Jens; Hübner, René; von Borany, Johannes; Abrasonis, Gintautas; Gemming, Sibylle; Escobar-Galindo, Ramon; Krause, Matthias

    2018-05-31

    A new cluster tool for in situ real-time processing and depth-resolved compositional, structural and optical characterization of thin films at temperatures from -100 to 800 °C is described. The implemented techniques comprise magnetron sputtering, ion irradiation, Rutherford backscattering spectrometry, Raman spectroscopy and spectroscopic ellipsometry. The capability of the cluster tool is demonstrated for a layer stack MgO/ amorphous Si (~60 nm)/ Ag (~30 nm), deposited at room temperature and crystallized with partial layer exchange by heating up to 650°C. Its initial and final composition, stacking order and structure were monitored in situ in real time and a reaction progress was defined as a function of time and temperature.

  3. Heterogeneous Gpu&Cpu Cluster For High Performance Computing In Cryptography

    Directory of Open Access Journals (Sweden)

    Michał Marks

    2012-01-01

    Full Text Available This paper addresses issues associated with distributed computing systems andthe application of mixed GPU&CPU technology to data encryption and decryptionalgorithms. We describe a heterogenous cluster HGCC formed by twotypes of nodes: Intel processor with NVIDIA graphics processing unit and AMDprocessor with AMD graphics processing unit (formerly ATI, and a novel softwareframework that hides the heterogeneity of our cluster and provides toolsfor solving complex scientific and engineering problems. Finally, we present theresults of numerical experiments. The considered case study is concerned withparallel implementations of selected cryptanalysis algorithms. The main goal ofthe paper is to show the wide applicability of the GPU&CPU technology tolarge scale computation and data processing.

  4. High prevalence of clustered tuberculosis cases in Peruvian migrants in Florence, Italy

    Directory of Open Access Journals (Sweden)

    Lorenzo Zammarchi

    2014-12-01

    Full Text Available Tuberculosis is a leading cause of morbidity for Peruvian migrants in Florence, Italy, where they account for about 20% of yearly diagnosed cases. A retrospective study on cases notified in Peruvian residents in Florence in the period 2001-2010 was carried out and available Mycobacterium tuberculosis strains were genotyped (MIRU-VNTR-24 and Spoligotyping. One hundred thirty eight cases were retrieved. Genotyping performed in 87 strains revealed that 39 (44.8% belonged to 12 clusters. Assuming that in each cluster the transmission of tuberculosis from the index case took place in Florence, a large proportion of cases could be preventable by improving early diagnosis of contagious cases and contact tracing.

  5. A Highly Luminescent Hexanuclear Molybdenum Cluster - A Promising Candidate toward Photoactive Materials

    Czech Academy of Sciences Publication Activity Database

    Kirakci, Kaplan; Kubát, Pavel; Dušek, Michal; Fejfarová, Karla; Šícha, Václav; Mosinger, Jiří; Lang, Kamil

    2012-01-01

    Roč. 2012, č. 19 (2012), s. 3107-3111 ISSN 1434-1948 R&D Projects: GA ČR(CZ) GAP204/11/0809; GA ČR GAP208/10/1678 Institutional support: RVO:61388980 ; RVO:61388955 ; RVO:68378271 Keywords : cluster compounds * luminescence * molybdenum * organic-inorganic hybrid composites * singlet oxygen Subject RIV: CA - Inorganic Chemistry Impact factor: 3.120, year: 2012

  6. A High-Resolution Cluster of Oceanographic Instruments for Boundary Layer Measurements under Ice.

    Science.gov (United States)

    1985-11-01

    arrangement for use with laser velocimetry. The EO components are mounted on an aluminum chassis, which is in turn placed in an underwater housing made...temperature/conductivity probe pair used * on the HRC cluster. It consists of a thermistor probe (FASTIP, Model FP07, Thermometrics , Inc.) and a dual...component. The orientation of all three DLT)V pairs is shown in Figure 1. 3.2 Temperature and Conductivity Probes The FASTIP thermistor by Thermometrics

  7. Acquisition of a High Performance Computer Cluster for Materials Research and Education

    Science.gov (United States)

    2015-04-17

    NUMBER 5b. GRANT NUMBER 5a. CONTRACT NUMBER Form Approved OMB NO. 0704-0188 3. DATES COVERED (From - To) - UU UU UU UU 17-04-2015 1-Feb-2014 31-Jan...significantly reduce the time and labour required for materials development. The proposed cluster will also play an important role for education and...the paradigm of materials design based on time-consuming trial-and-error experiments and significantly reduce the time and labour required for

  8. Maintenance of Velocity and Power With Cluster Sets During High-Volume Back Squats.

    Science.gov (United States)

    Tufano, James J; Conlon, Jenny A; Nimphius, Sophia; Brown, Lee E; Seitz, Laurent B; Williamson, Bryce D; Haff, G Gregory

    2016-10-01

    To compare the effects of a traditional set structure and 2 cluster set structures on force, velocity, and power during back squats in strength-trained men. Twelve men (25.8 ± 5.1 y, 1.74 ± 0.07 m, 79.3 ± 8.2 kg) performed 3 sets of 12 repetitions at 60% of 1-repetition maximum using 3 different set structures: traditional sets (TS), cluster sets of 4 (CS4), and cluster sets of 2 (CS2). When averaged across all repetitions, peak velocity (PV), mean velocity (MV), peak power (PP), and mean power (MP) were greater in CS2 and CS4 than in TS (P < .01), with CS2 also resulting in greater values than CS4 (P < .02). When examining individual sets within each set structure, PV, MV, PP, and MP decreased during the course of TS (effect sizes 0.28-0.99), whereas no decreases were noted during CS2 (effect sizes 0.00-0.13) or CS4 (effect sizes 0.00-0.29). These results demonstrate that CS structures maintain velocity and power, whereas TS structures do not. Furthermore, increasing the frequency of intraset rest intervals in CS structures maximizes this effect and should be used if maximal velocity is to be maintained during training.

  9. Phase transitions to dipolar clusters and charge density waves in high T{sub c} superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Saarela, M., E-mail: Mikko.Saarela@oulu.fi [Department of Physics, University of Oulu, P.O. Box 3000, FIN-90014 (Finland); Kusmartsev, F.V. [Department of Physics, Loughborough University, LE11 3TU (United Kingdom)

    2017-02-15

    We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions. Such dipoles may order into charge-density waves (CDW) or stripes or form a disordered state depending on doping and temperature. The lowest energy of the ordered system corresponds to a local anti-ferroelectric ordering. The mobility of individual disordered dipoles is very low at low temperatures and they prefer first to bind into dipole-dipole pairs. Electromagnetic radiation interacts strongly with electric dipoles and when the sample is subjected to it the mobility changes significantly. This leads to a fractal growth of dipolar clusters. The existence of electric dipoles and CDW induce two phase transitions with increasing temperature, melting of the ordered state and disappearance of the dipolar state. Ferroelectricity at low doping is a natural consequence of such dipole moments. We develop a theory based on two-level systems and dipole-dipole interaction to explain the behavior of the polarization as a function of temperature and electric field.

  10. Relaxation effects in ionic mobility and cluster formation: negative ions in SF6 at high pressures

    International Nuclear Information System (INIS)

    Juarez, A M; De Urquijo, J; Hinojosa, G; Hernandez-Avila, J L; Basurto, E

    2010-01-01

    The relaxation effects of the ionic mobility and the formation of negative-ion clusters in SF 6 are studied in this work. For this purpose, we have measured the mobility of negative ions in SF 6 over the pressure range 100-800 Torr at a fixed value of density-normalized electric field, E/N, of 20 Td (1 Townsend = 10 -17 V cm 2 ). The data obtained show a clear dependence of the negative-ion drift velocity on drift distance. It is observed that the drift velocity (mobility) reaches a steady-state value only for drift distances above 2 cm, over the studied pressure range. In addition to this, we have observed that the ionic mobility depends strongly on the gas pressure. An explanation of this dependence of the ionic mobility on gas pressure is given in terms of a negative-ion clustering formation process. It was found that the assumption of a linear dependence of the cluster ion mass on pressure provides a satisfactory explanation for the observed mobilities.

  11. Phase transitions to dipolar clusters and charge density waves in high T_c superconductors

    International Nuclear Information System (INIS)

    Saarela, M.; Kusmartsev, F.V.

    2017-01-01

    We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions. Such dipoles may order into charge-density waves (CDW) or stripes or form a disordered state depending on doping and temperature. The lowest energy of the ordered system corresponds to a local anti-ferroelectric ordering. The mobility of individual disordered dipoles is very low at low temperatures and they prefer first to bind into dipole-dipole pairs. Electromagnetic radiation interacts strongly with electric dipoles and when the sample is subjected to it the mobility changes significantly. This leads to a fractal growth of dipolar clusters. The existence of electric dipoles and CDW induce two phase transitions with increasing temperature, melting of the ordered state and disappearance of the dipolar state. Ferroelectricity at low doping is a natural consequence of such dipole moments. We develop a theory based on two-level systems and dipole-dipole interaction to explain the behavior of the polarization as a function of temperature and electric field.

  12. Quest for Highly-connected MOF Platforms: Rare-Earth Polynuclear Clusters Versatility Meets Net Topology Needs.

    KAUST Repository

    Alezi, Dalal

    2015-04-07

    Gaining control over the assembly of highly porous rare-earth (RE) based metal-organic frameworks (MOFs) remains challenging. Here we report the latest discoveries on our continuous quest for highly-connected nets. The topological exploration based on the non-compatibility of 12-connected RE polynuclear carboxylate-based cluster, points of extension matching the 12 vertices of the cuboctahedron (cuo), with 3-connected organic ligands led to the discovery of two fascinating and highly-connected minimal edge-transitive nets, pek and aea. The reduced symmetry of the employed triangular tricarboxylate ligand, as compared to the prototype highly symmetrical 1,3,5-benzene(tris)benzoic acid guided the concurrent occurrence of nonanuclear [RE9(μ3-OH)12(μ3-O)2(O2C–)12] and hexanuclear [RE6(OH)8(O2C–)8] carboxylate-based clusters as 12-connected and 8-connected molecular building blocks in the structure of a 3-periodic pek-MOF based on a novel (3,8,12)-c trinodal net. The use of a tricarboxylate ligand with modified angles between carboxylate moieties led to the formation of a second MOF containing solely nonanuclear clusters and exhibiting once more a novel and a highly-connected (3,12,12)-c trinodal net with aea topology. Notably, it is the first time that RE-MOFs with double six-membered ring (d6R) secondary building units are isolated, representing therefore a critical step forward toward the design of novel and highly coordinated materials using the supermolecular building layer approach while considering the d6Rs as building pillars. Lastly, the potential of these new MOFs for gas separation/storage was investigated by performing gas adsorption studies of various probe gas molecules over a wide range of pressures. Noticeably, pek-MOF-1 showed excellent volumetric CO2 and CH4 uptakes at high pressures.

  13. A High-Efficiency Uneven Cluster Deployment Algorithm Based on Network Layered for Event Coverage in UWSNs

    Directory of Open Access Journals (Sweden)

    Shanen Yu

    2016-12-01

    Full Text Available Most existing deployment algorithms for event coverage in underwater wireless sensor networks (UWSNs usually do not consider that network communication has non-uniform characteristics on three-dimensional underwater environments. Such deployment algorithms ignore that the nodes are distributed at different depths and have different probabilities for data acquisition, thereby leading to imbalances in the overall network energy consumption, decreasing the network performance, and resulting in poor and unreliable late network operation. Therefore, in this study, we proposed an uneven cluster deployment algorithm based network layered for event coverage. First, according to the energy consumption requirement of the communication load at different depths of the underwater network, we obtained the expected value of deployment nodes and the distribution density of each layer network after theoretical analysis and deduction. Afterward, the network is divided into multilayers based on uneven clusters, and the heterogeneous communication radius of nodes can improve the network connectivity rate. The recovery strategy is used to balance the energy consumption of nodes in the cluster and can efficiently reconstruct the network topology, which ensures that the network has a high network coverage and connectivity rate in a long period of data acquisition. Simulation results show that the proposed algorithm improves network reliability and prolongs network lifetime by significantly reducing the blind movement of overall network nodes while maintaining a high network coverage and connectivity rate.

  14. A combined strategy for screening a clustered mobile population returning from highly endemic areas for Plasmodium falciparum.

    Science.gov (United States)

    Li, Mei; Li, Jun; Xia, Zhigui; Xiao, Ning; Jiang, Weikang; Wen, Yongkang

    2017-04-30

    Early and accurate diagnosis of imported malaria cases in clusters is crucial for protecting the health of patients and local populations, especially confirmed parasitic persons who are asymptomatic. A total of 226 gold miners who had stayed in highly endemic areas of Ghana for more than six months and returned in clusters were selected randomly. Blood samples from them were tested with microscopy, nest polymerase chain reaction, and rapid diagnostic test (RDT). The sensitivity, specificity, predictive values, agreement rate, and Youden's index of each of three diagnostic methods were calculated and compared with the defined gold standard. A quick and efficient way to respond to screening such a clustered mobile population was predicted and analyzed by evaluating two assumed results of combining microscopy and RDT with or without symptoms of illness. The rate of the carriers of malaria parasites in the populations of gold miners was 19.47%, including 39 P. falciparum. Among the three diagnostic methods, the microscopy method showed the highest specificity, while the RDT method showed the highest sensitivity but the lowest specificity in detecting P. falciparum. The assumed results of combining RDT and microscopy with symptoms showed the best results among all the test results in screening P. falciparum. It was too complex and difficult to catch all parasite carriers in a short period of time among populations with such a complicated situation as that in Shanglin County. A strategy of combing microscopy and RDT for diagnosis is highly recommended.

  15. Metabolism and Biomarkers of Heterocyclic Aromatic Amines in Molecular Epidemiology Studies: Lessons Learned from Aromatic Amines

    Science.gov (United States)

    2011-01-01

    Aromatic amines and heterocyclic aromatic amines (HAAs) are structurally related classes of carcinogens that are formed during the combustion of tobacco or during the high-temperature cooking of meats. Both classes of procarcinogens undergo metabolic activation by N-hydroxylation of the exocyclic amine group, to produce a common proposed intermediate, the arylnitrenium ion, which is the critical metabolite implicated in toxicity and DNA damage. However, the biochemistry and chemical properties of these compounds are distinct and different biomarkers of aromatic amines and HAAs have been developed for human biomonitoring studies. Hemoglobin adducts have been extensively used as biomarkers to monitor occupational and environmental exposures to a number of aromatic amines; however, HAAs do not form hemoglobin adducts at appreciable levels and other biomarkers have been sought. A number of epidemiologic studies that have investigated dietary consumption of well-done meat in relation to various tumor sites reported a positive association between cancer risk and well-done meat consumption, although some studies have shown no associations between well-done meat and cancer risk. A major limiting factor in most epidemiological studies is the uncertainty in quantitative estimates of chronic exposure to HAAs and, thus, the association of HAAs formed in cooked meat and cancer risk has been difficult to establish. There is a critical need to establish long-term biomarkers of HAAs that can be implemented in molecular epidemioIogy studies. In this review article, we highlight and contrast the biochemistry of several prototypical carcinogenic aromatic amines and HAAs to which humans are chronically exposed. The biochemical properties and the impact of polymorphisms of the major xenobiotic-metabolizing enzymes on the biological effects of these chemicals are examined. Lastly, the analytical approaches that have been successfully employed to biomonitor aromatic amines and HAAs, and

  16. Cyanide leaching of Au/CeO2: highly active gold clusters for 1,3-butadiene hydrogenation.

    Science.gov (United States)

    Guan, Y; Hensen, E J M

    2009-11-07

    Ceria-supported gold catalysts before and after leaching by NaCN were investigated by X-ray absorption spectroscopy at the Au L(III) edge. After gold leaching, isolated gold cations remain in close interaction with the support. These ions form an ideal precursor to very small clusters of a few gold atoms upon reduction. The resulting gold clusters exhibit a very high intrinsic activity in the hydrogenation of 1,3-butadiene, which is at least one order of magnitude higher than that of the nanometre-sized gold particles in the non-leached parent catalyst. These findings point to a very strong structure sensitivity of the gold-catalyzed hydrogenation of dienes.

  17. Chemometric characterization of the hydrogen bonding complexes of secondary amides and aromatic hydrocarbons

    OpenAIRE

    Jović, Branislav; Nikolić, Aleksandar; Petrović, Slobodan

    2012-01-01

    The paper reports the results of the study of hydrogen bonding complexes between secondary amides and various aromatic hydrocarbons. The possibility of using chemometric methods was investigated in order to characterize N-H•••π hydrogen bonded complexes. Hierarchical clustering and Principal Component Analysis (PCA) have been applied on infrared spectroscopic and Taft parameters of 43 N-substituted amide complexes with different aromatic hydrocarbons. Results obtained in this report are...

  18. Knowledge intensive entrepreneurship from firm exit in a high-tech cluster: the case of the wireless communications cluster in Aalborg, Denmark

    DEFF Research Database (Denmark)

    Østergaard, Christian Richter; Park, Eun Kyung

    2012-01-01

    This chapter addresses how the existence of a cluster of firms with a specific knowledge base in a region affects future knowledge intensive entrepreneurship (KIE) in that region. Focusing on spinoff activities, the case of the wireless communication cluster in North Jutland in Denmark demonstrates...... how entrepreneurs develop knowledge, skills, routines, social capital and networks while working in an industry and then go on to use these resources to create new business in the same or related industries in the same approximate location....

  19. Clustering high-dimensional mixed data to uncover sub-phenotypes: joint analysis of phenotypic and genotypic data.

    Science.gov (United States)

    McParland, D; Phillips, C M; Brennan, L; Roche, H M; Gormley, I C

    2017-12-10

    The LIPGENE-SU.VI.MAX study, like many others, recorded high-dimensional continuous phenotypic data and categorical genotypic data. LIPGENE-SU.VI.MAX focuses on the need to account for both phenotypic and genetic factors when studying the metabolic syndrome (MetS), a complex disorder that can lead to higher risk of type 2 diabetes and cardiovascular disease. Interest lies in clustering the LIPGENE-SU.VI.MAX participants into homogeneous groups or sub-phenotypes, by jointly considering their phenotypic and genotypic data, and in determining which variables are discriminatory. A novel latent variable model that elegantly accommodates high dimensional, mixed data is developed to cluster LIPGENE-SU.VI.MAX participants using a Bayesian finite mixture model. A computationally efficient variable selection algorithm is incorporated, estimation is via a Gibbs sampling algorithm and an approximate BIC-MCMC criterion is developed to select the optimal model. Two clusters or sub-phenotypes ('healthy' and 'at risk') are uncovered. A small subset of variables is deemed discriminatory, which notably includes phenotypic and genotypic variables, highlighting the need to jointly consider both factors. Further, 7 years after the LIPGENE-SU.VI.MAX data were collected, participants underwent further analysis to diagnose presence or absence of the MetS. The two uncovered sub-phenotypes strongly correspond to the 7-year follow-up disease classification, highlighting the role of phenotypic and genotypic factors in the MetS and emphasising the potential utility of the clustering approach in early screening. Additionally, the ability of the proposed approach to define the uncertainty in sub-phenotype membership at the participant level is synonymous with the concepts of precision medicine and nutrition. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  20. Analysis of co-eluted isomers of high-molecular weight polycyclic aromatic hydrocarbons in high performance liquid chromatography fractions via solid-phase nanoextraction and time-resolved Shpol'skii spectroscopy.

    Science.gov (United States)

    Wilson, Walter B; Campiglia, Andres D

    2011-09-28

    We present an accurate method for the determination of isomers of high-molecular weight polycyclic aromatic hydrocarbons co-eluted in HPLC fractions. The feasibility of this approach is demonstrated with two isomers of molecular weight 302 with identical mass fragmentation patterns, namely dibenzo[a,i]pyrene and naphtho[2,3-a]pyrene. Qualitative and quantitative analysis is carried out via laser-excited time-resolved Shpol'skii spectroscopy at liquid helium temperature. Unambiguous identification of co-eluted isomers is based on their characteristic 4.2 K line-narrowed spectra in n-octane as well as their fluorescence lifetimes. Pre-concentration of HPLC fractions prior to spectroscopic analysis is performed with the aid of gold nanoparticles via an environmentally friendly procedure. In addition to the two co-eluted isomers, the analytical figures of merit of the entire procedure were evaluated with dibenzo[a,l]pyrene, dibenzo[a,h]pyrene and dibenzo[a,e]pyrene. The analytical recoveries from drinking water samples varied between 98.2±5.5 (dibenzo[a,l]pyrene) and 102.7±3.2% (dibenzo[a,i]pyrene). The limits of detection ranged from 51.1 ng L(-1) (naphtho[2,3-a]pyrene) to 154 ng L(-1) (dibenzo[a,e]pyrene). The excellent analytical figures of merit associated to its HPLC compatibility makes this approach an attractive alternative for the analysis of co-eluted isomers with identical mass spectra. Copyright © 2011 Elsevier B.V. All rights reserved.

  1. Advances towards aromatic oligoamide foldamers

    DEFF Research Database (Denmark)

    Hjelmgaard, Thomas; Plesner, Malene; Dissing, Mette Marie

    2014-01-01

    We have efficiently synthesized 36 arylopeptoid dimers with ortho-, meta-, and para-substituted aromatic backbones and tert-butyl or phenyl side chains. The dimers were synthesized by using a "submonomer method" on solid phase, by applying a simplified common set of reaction conditions. X......-ray crystallographic analysis of two of these dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a comparatively more closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation with a more open, extended structure...... of the surrounding aromatic backbone. Investigation of the X-ray structures of two arylopeptoid dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation...

  2. Three-dimensional aromatic networks.

    Science.gov (United States)

    Toyota, Shinji; Iwanaga, Tetsuo

    2014-01-01

    Three-dimensional (3D) networks consisting of aromatic units and linkers are reviewed from various aspects. To understand principles for the construction of such compounds, we generalize the roles of building units, the synthetic approaches, and the classification of networks. As fundamental compounds, cyclophanes with large aromatic units and aromatic macrocycles with linear acetylene linkers are highlighted in terms of transannular interactions between aromatic units, conformational preference, and resolution of chiral derivatives. Polycyclic cage compounds are constructed from building units by linkages via covalent bonds, metal-coordination bonds, or hydrogen bonds. Large cage networks often include a wide range of guest species in their cavity to afford novel inclusion compounds. Topological isomers consisting of two or more macrocycles are formed by cyclization of preorganized species. Some complicated topological networks are constructed by self-assembly of simple building units.

  3. Tracking the NGS revolution: managing life science research on shared high-performance computing clusters.

    Science.gov (United States)

    Dahlö, Martin; Scofield, Douglas G; Schaal, Wesley; Spjuth, Ola

    2018-05-01

    Next-generation sequencing (NGS) has transformed the life sciences, and many research groups are newly dependent upon computer clusters to store and analyze large datasets. This creates challenges for e-infrastructures accustomed to hosting computationally mature research in other sciences. Using data gathered from our own clusters at UPPMAX computing center at Uppsala University, Sweden, where core hour usage of ∼800 NGS and ∼200 non-NGS projects is now similar, we compare and contrast the growth, administrative burden, and cluster usage of NGS projects with projects from other sciences. The number of NGS projects has grown rapidly since 2010, with growth driven by entry of new research groups. Storage used by NGS projects has grown more rapidly since 2013 and is now limited by disk capacity. NGS users submit nearly twice as many support tickets per user, and 11 more tools are installed each month for NGS projects than for non-NGS projects. We developed usage and efficiency metrics and show that computing jobs for NGS projects use more RAM than non-NGS projects, are more variable in core usage, and rarely span multiple nodes. NGS jobs use booked resources less efficiently for a variety of reasons. Active monitoring can improve this somewhat. Hosting NGS projects imposes a large administrative burden at UPPMAX due to large numbers of inexperienced users and diverse and rapidly evolving research areas. We provide a set of recommendations for e-infrastructures that host NGS research projects. We provide anonymized versions of our storage, job, and efficiency databases.

  4. Tracking the NGS revolution: managing life science research on shared high-performance computing clusters

    Science.gov (United States)

    2018-01-01

    Abstract Background Next-generation sequencing (NGS) has transformed the life sciences, and many research groups are newly dependent upon computer clusters to store and analyze large datasets. This creates challenges for e-infrastructures accustomed to hosting computationally mature research in other sciences. Using data gathered from our own clusters at UPPMAX computing center at Uppsala University, Sweden, where core hour usage of ∼800 NGS and ∼200 non-NGS projects is now similar, we compare and contrast the growth, administrative burden, and cluster usage of NGS projects with projects from other sciences. Results The number of NGS projects has grown rapidly since 2010, with growth driven by entry of new research groups. Storage used by NGS projects has grown more rapidly since 2013 and is now limited by disk capacity. NGS users submit nearly twice as many support tickets per user, and 11 more tools are installed each month for NGS projects than for non-NGS projects. We developed usage and efficiency metrics and show that computing jobs for NGS projects use more RAM than non-NGS projects, are more variable in core usage, and rarely span multiple nodes. NGS jobs use booked resources less efficiently for a variety of reasons. Active monitoring can improve this somewhat. Conclusions Hosting NGS projects imposes a large administrative burden at UPPMAX due to large numbers of inexperienced users and diverse and rapidly evolving research areas. We provide a set of recommendations for e-infrastructures that host NGS research projects. We provide anonymized versions of our storage, job, and efficiency databases. PMID:29659792

  5. Fragmentation of high-energy ionic hydrogen clusters by single collision with helium

    International Nuclear Information System (INIS)

    Ouaskit, S.; Farizon, B.; Farizon, M.; Gaillard, M.J.; Chevarier, A.; Chevarier, N.; Gerlic, E.; Stern, M.

    1994-09-01

    Fragmentation of mass-selected 60-keV/amu-H n + induced by single collision with helium has been studied for various cluster sizes n (9, 13,21, 25, and 31). The absolute cross sections of the charged fragments H p + are measured from p equal to n-2. The deduced mass distributions are strongly different from those obtained at lower collision energy (where molecular evaporation is mainly involved) due to a strong production of ionic fragments with a size of p/n -τ , where A is the normalized fragment mass (p/n) and τ an exponent close to 2.6. (authors)

  6. Inter-cluster coupling effects in high-spin molecular magnets

    International Nuclear Information System (INIS)

    Affronte, M.; Lasjaunias, J.C.; Wernsdorfer, W.; Sessoli, R.; Gatteschi, D.; Heath, S.L.; Fort, A.; Rettori, A.

    2004-01-01

    We report evidences of antiferromagnetic (AF) transition in Fe 19 metheidi, a new molecular nanomagnet with a total spin S=((33)/(2)), among the highest known so far. The temperature (T) dependence of specific heat (C) shows a λ-anomaly at 1.19 K and at the same temperature an anomaly is also observed in the low field (B<0.12 T) magnetization M-vs.-T curves. Since the dipolar interaction between clusters is estimated to be ∼190 mK, the origin of the AF transition is probably due to superexchange

  7. Inter-cluster coupling effects in high-spin molecular magnets

    Energy Technology Data Exchange (ETDEWEB)

    Affronte, M.; Lasjaunias, J.C.; Wernsdorfer, W.; Sessoli, R.; Gatteschi, D.; Heath, S.L.; Fort, A. E-mail: fort@fi.infn.it; Rettori, A

    2004-05-01

    We report evidences of antiferromagnetic (AF) transition in Fe{sub 19}metheidi, a new molecular nanomagnet with a total spin S=((33)/(2)), among the highest known so far. The temperature (T) dependence of specific heat (C) shows a {lambda}-anomaly at 1.19 K and at the same temperature an anomaly is also observed in the low field (B<0.12 T) magnetization M-vs.-T curves. Since the dipolar interaction between clusters is estimated to be {approx}190 mK, the origin of the AF transition is probably due to superexchange.

  8. Implementation of High-Order Multireference Coupled-Cluster Methods on Intel Many Integrated Core Architecture.

    Science.gov (United States)

    Aprà, E; Kowalski, K

    2016-03-08

    In this paper we discuss the implementation of multireference coupled-cluster formalism with singles, doubles, and noniterative triples (MRCCSD(T)), which is capable of taking advantage of the processing power of the Intel Xeon Phi coprocessor. We discuss the integration of two levels of parallelism underlying the MRCCSD(T) implementation with computational kernels designed to offload the computationally intensive parts of the MRCCSD(T) formalism to Intel Xeon Phi coprocessors. Special attention is given to the enhancement of the parallel performance by task reordering that has improved load balancing in the noniterative part of the MRCCSD(T) calculations. We also discuss aspects regarding efficient optimization and vectorization strategies.

  9. A highly divergent gene cluster in honey bees encodes a novel silk family

    OpenAIRE

    Sutherland, Tara D.; Campbell, Peter M.; Weisman, Sarah; Trueman, Holly E.; Sriskantha, Alagacone; Wanjura, Wolfgang J.; Haritos, Victoria S.

    2006-01-01

    The pupal cocoon of the domesticated silk moth Bombyx mori is the best known and most extensively studied insect silk. It is not widely known that Apis mellifera larvae also produce silk. We have used a combination of genomic and proteomic techniques to identify four honey bee fiber genes (AmelFibroin1–4) and two silk-associated genes (AmelSA1 and 2). The four fiber genes are small, comprise a single exon each, and are clustered on a short genomic region where the open reading frames are GC-r...

  10. High-intensity X-rays interaction with matter processes in plasmas, clusters, molecules and solids

    CERN Document Server

    Hau-Riege, Stefan P

    2012-01-01

    Filling the need for a book bridging the effect of matter on X-ray radiation and the interaction of x-rays with plasmas, this monograph provides comprehensive coverage of the topic. As such, it presents and explains such powerful new X-ray sources as X-ray free-electron lasers, as well as short pulse interactions with solids, clusters, molecules, and plasmas, and X-ray matter interactions as a diagnostic tool. Equally useful for researchers and practitioners working in the field.

  11. Bioassay of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Van Kirk, E.A.

    1980-08-01

    A positive relationship was found between the photodynamic activity of 24 polycyclic aromatic hydrocarbons versus published results on the mutagenicity, carcinogenicity, and initiation of unscheduled DNA synthesis. Metabolic activation of benzo(a)pyrene resulted in detection of increased mutagenesis in Paramecium tetraurelia as found also in the Ames Salmonella assay. The utility of P. tetraurelia as a biological detector of hazardous polycyclic aromatic hydrocarbons is discussed.

  12. Two-stage clustering (TSC: a pipeline for selecting operational taxonomic units for the high-throughput sequencing of PCR amplicons.

    Directory of Open Access Journals (Sweden)

    Xiao-Tao Jiang

    Full Text Available Clustering 16S/18S rRNA amplicon sequences into operational taxonomic units (OTUs is a critical step for the bioinformatic analysis of microbial diversity. Here, we report a pipeline for selecting OTUs with a relatively low computational demand and a high degree of accuracy. This pipeline is referred to as two-stage clustering (TSC because it divides tags into two groups according to their abundance and clusters them sequentially. The more abundant group is clustered using a hierarchical algorithm similar to that in ESPRIT, which has a high degree of accuracy but is computationally costly for large datasets. The rarer group, which includes the majority of tags, is then heuristically clustered to improve efficiency. To further improve the computational efficiency and accuracy, two preclustering steps are implemented. To maintain clustering accuracy, all tags are grouped into an OTU depending on their pairwise Needleman-Wunsch distance. This method not only improved the computational efficiency but also mitigated the spurious OTU estimation from 'noise' sequences. In addition, OTUs clustered using TSC showed comparable or improved performance in beta-diversity comparisons compared to existing OTU selection methods. This study suggests that the distribution of sequencing datasets is a useful property for improving the computational efficiency and increasing the clustering accuracy of the high-throughput sequencing of PCR amplicons. The software and user guide are freely available at http://hwzhoulab.smu.edu.cn/paperdata/.

  13. Aromatic residues located close to the active center are essential for the catalytic reaction of flap endonuclease-1 from hyperthermophilic archaeon Pyrococcus horikoshii.

    Science.gov (United States)

    Matsui, Eriko; Abe, Junko; Yokoyama, Hideshi; Matsui, Ikuo

    2004-04-16

    Flap endonuclease-1 (FEN-1) possessing 5'-flap endonuclease and 5'-->3' exonuclease activity plays important roles in DNA replication and repair. In this study, the kinetic parameters of mutants at highly conserved aromatic residues, Tyr33, Phe35, Phe79, and Phe278-Phe279, in the vicinity of the catalytic centers of FEN-1 were examined. The substitution of these aromatic residues with alanine led to a large reduction in kcat values, although these mutants retained Km values similar to that of the wild-type enzyme. Notably, the kcat of Y33A and F79A decreased 333-fold and 71-fold, respectively, compared with that of the wild-type enzyme. The aromatic residues Tyr33 and Phe79, and the aromatic cluster Phe278-Phe279 mainly contributed to the recognition of the substrates without the 3' projection of the upstream strand (the nick, 5'-recess-end, single-flap, and pseudo-Y substrates) for the both exo- and endo-activities, but played minor roles in recognizing the substrates with the 3' projection (the double flap substrate and the nick substrate with the 3' projection). The replacement of Tyr33, Phe79, and Phe278-Phe279, with non-charged aromatic residues, but not with aliphatic hydrophobic residues, recovered the kcat values almost fully for the substrates without the 3' projection of the upstream strand, suggesting that the aromatic groups of Tyr33, Phe79, and Phe278-Phe279 might be involved in the catalytic reaction, probably via multiple stacking interactions with nucleotide bases. The stacking interactions of Tyr33 and Phe79 might play important roles in fixing the template strand and the downstream strand, respectively, in close proximity to the active center to achieve the productive transient state leading to the hydrolysis.

  14. High-order finite-element seismic wave propagation modeling with MPI on a large GPU cluster

    International Nuclear Information System (INIS)

    Komatitsch, Dimitri; Erlebacher, Gordon; Goeddeke, Dominik; Michea, David

    2010-01-01

    We implement a high-order finite-element application, which performs the numerical simulation of seismic wave propagation resulting for instance from earthquakes at the scale of a continent or from active seismic acquisition experiments in the oil industry, on a large cluster of NVIDIA Tesla graphics cards using the CUDA programming environment and non-blocking message passing based on MPI. Contrary to many finite-element implementations, ours is implemented successfully in single precision, maximizing the performance of current generation GPUs. We discuss the implementation and optimization of the code and compare it to an existing very optimized implementation in C language and MPI on a classical cluster of CPU nodes. We use mesh coloring to efficiently handle summation operations over degrees of freedom on an unstructured mesh, and non-blocking MPI messages in order to overlap the communications across the network and the data transfer to and from the device via PCIe with calculations on the GPU. We perform a number of numerical tests to validate the single-precision CUDA and MPI implementation and assess its accuracy. We then analyze performance measurements and depending on how the problem is mapped to the reference CPU cluster, we obtain a speedup of 20x or 12x.

  15. Genus Cistus: a model for exploring labdane-type diterpenes' biosynthesis and a natural source of high value products with biological, aromatic and pharmacological properties

    Science.gov (United States)

    Papaefthimiou, Dimitra; Papanikolaou, Antigoni; Falara, Vasiliki; Givanoudi, Stella; Kostas, Stefanos; Kanellis, Angelos

    2014-06-01

    The family Cistaceae (Angiosperm, Malvales) consists of 8 genera and 180 species, with 5 genera native of the Mediterranean area (Cistus, Fumara, Halimium, Helianthemum and Tuberaria). Traditionally, a number of Cistus specie have been used in Mediterranean folk medicine as herbal tea infusions for healing, digestive problems and colds, as extracts for the treatment of diseases, and as fragrances. The resin, ladano, secreted by the glandular trichomes of certain Cistus species contains a number of phytochemicals with antioxidant, antibacterial, antifungal and anticancer properties. Furthermore, total leaf aqueous extracts possess anti-influenza virus activity. All these properties have been attributed to phytochemicals such as terpenoids, including diterpenes, labdane-type diterpenes and clerodanes, phenylpropanoids, including flavonoids and ellagitannins, several groups of alkaloids and other types of secondary metabolites. In the past 20 years, research on Cistus involved chemical, biological and phylogenetic analysis but recent investigations have involved genomic and molecular approaches. Our lab is exploring the biosynthetic machinery that generates terpenoids and phenylpropanoids, with a goal to harness their numerous properties that have applications in the pharmaceutical, chemical and aromatic industries. This review focuses on the systematics, botanical characteristics, geographic distribution, chemical analyses, biological function and biosynthesis of major compounds, as well as genomic analyses and biotechnological approaches of the main Cistus species found in the Mediterranean basin, namely C. albidus, C. creticus, C. crispus, C. parviflorus, C. monspeliensis, C. populifolius, C. salviifolius, C. ladanifer, C. laurifolius and C. clusii.

  16. Aromatics Oxidation and Soot Formation in Flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J. B.; Richter, H.

    2005-03-29

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and the growth process to polycyclic aromatic hydrocarbons (PAH) of increasing size, soot and fullerenes formation in flames. The overall objective of the experimental aromatics oxidation work is to extend the set of available data by measuring concentration profiles for decomposition intermediates such as phenyl, cyclopentadienyl, phenoxy or indenyl radicals which could not be measured with molecular-beam mass spectrometry to permit further refinement and testing of benzene oxidation mechanisms. The focus includes PAH radicals which are thought to play a major role in the soot formation process while their concentrations are in many cases too low to permit measurement with conventional mass spectrometry. The radical species measurements are used in critical testing and improvement of a kinetic model describing benzene oxidation and PAH growth. Thermodynamic property data of selected species are determined computationally, for instance using density functional theory (DFT). Potential energy surfaces are explored in order to identify additional reaction pathways. The ultimate goal is to understand the conversion of high molecular weight compounds to nascent soot particles, to assess the roles of planar and curved PAH and relationships between soot and fullerenes formation. The specific aims are to characterize both the high molecular weight compounds involved in the nucleation of soot particles and the structure of soot including internal nanoscale features indicative of contributions of planar and/or curved PAH to particle inception.

  17. Cosmology with cluster surveys

    Indian Academy of Sciences (India)

    Abstract. Surveys of clusters of galaxies provide us with a powerful probe of the den- sity and nature of the dark energy. The red-shift distribution of detected clusters is highly sensitive to the dark energy equation of state parameter w. Upcoming Sunyaev–. Zel'dovich (SZ) surveys would provide us large yields of clusters to ...

  18. Aromatic VOCs global influence in the ozone production

    Science.gov (United States)

    Cabrera-Perez, David; Pozzer, Andrea

    2016-04-01

    Aromatic hydrocarbons are a subgroup of Volatile Organic Compounds (VOCs) of special interest in the atmosphere of urban and semi-urban areas. Aromatics form a high fraction of VOCs, are highly reactive and upon oxidation they are an important source of ozone. These group of VOCs are released to the atmosphere by processes related to biomass burning and fossil fuel consumption, while they are removed from the atmosphere primarily by OH reaction and by dry deposition. In addition, a branch of aromatics (ortho-nitrophenols) produce HONO upon photolysis, which is responsible of certain amount of the OH recycling. Despite their importance in the atmosphere in anthropogenic polluted areas, the influence of aromatics in the ozone production remains largely unknown. This is of particular relevance, being ozone a pollutant with severe side effects on air quality, health and climate. In this work the atmospheric impacts at global scale of the most emitted aromatic VOCs in the gas phase (benzene, toluene, xylenes, ethylbenzene, styrene, phenol, benzaldehyde and trimethylbenzenes) are analysed and assessed. Specifically, the impact on ozone due to aromatic oxidation is estimated, as this is of great interest in large urban areas and can be helpful for developing air pollution control strategies. Further targets are the quantification of the NOx loss and the OH recycling due to aromatic oxidation. In order to investigate these processes, two simulations were performed with the numerical chemistry and climate simulation ECHAM/MESSy Atmospheric Chemistry (EMAC) model. The simulations compare two cases, one with ozone concentrations when aromatics are present or the second one when they are missing. Finally, model simulated ozone is compared against a global set of observations in order to better constrain the model accuracy.

  19. A High Performance Multi-Core FPGA Implementation for 2D Pixel Clustering for the ATLAS Fast TracKer (FTK) Processor

    CERN Document Server

    Sotiropoulou, C-L; The ATLAS collaboration; Beretta, M; Gkaitatzis, S; Kordas, K; Nikolaidis, S; Petridou, C; Volpi, G

    2014-01-01

    The high performance multi-core 2D pixel 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 is required as a method to reduce the high rate of the received data before further processing, as well as to determine the cluster centroid for obtaining obtain the best spatial measurement. Our implementation targets the pixel detectors and uses a 2D-clustering algorithm that takes advantage of a moving window technique to minimize the logic required for cluster identification. The design is fully generic and the cluster detection window size can be adjusted for optimizing the cluster identification process. Τhe implementation can be parallelized by instantiating multiple cores to identify different clusters independently thus exploiting more FPGA resources. This flexibility mak...

  20. Classification of Malaysia aromatic rice using multivariate statistical analysis

    International Nuclear Information System (INIS)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A.; Omar, O.

    2015-01-01

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties

  1. Classification of Malaysia aromatic rice using multivariate statistical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A. [School of Mechatronic Engineering, Universiti Malaysia Perlis, Kampus Pauh Putra, 02600 Arau, Perlis (Malaysia); Omar, O. [Malaysian Agriculture Research and Development Institute (MARDI), Persiaran MARDI-UPM, 43400 Serdang, Selangor (Malaysia)

    2015-05-15

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

  2. Classification of Malaysia aromatic rice using multivariate statistical analysis

    Science.gov (United States)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A.; Omar, O.

    2015-05-01

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC-MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

  3. Determination of atomic cluster structure with cluster fusion algorithm

    DEFF Research Database (Denmark)

    Obolensky, Oleg I.; Solov'yov, Ilia; Solov'yov, Andrey V.

    2005-01-01

    We report an efficient scheme of global optimization, called cluster fusion algorithm, which has proved its reliability and high efficiency in determination of the structure of various atomic clusters.......We report an efficient scheme of global optimization, called cluster fusion algorithm, which has proved its reliability and high efficiency in determination of the structure of various atomic clusters....

  4. Metal cluster compounds - chemistry and importance; clusters containing isolated main group element atoms, large metal cluster compounds, cluster fluxionality

    International Nuclear Information System (INIS)

    Walther, B.

    1988-01-01

    This part of the review on metal cluster compounds deals with clusters containing isolated main group element atoms, with high nuclearity clusters and metal cluster fluxionality. It will be obvious that main group element atoms strongly influence the geometry, stability and reactivity of the clusters. High nuclearity clusters are of interest in there own due to the diversity of the structures adopted, but their intermediate position between molecules and the metallic state makes them a fascinating research object too. These both sites of the metal cluster chemistry as well as the frequently observed ligand and core fluxionality are related to the cluster metal and surface analogy. (author)

  5. Globular clusters in high-redshift dwarf galaxies: a case study from the Local Group

    Science.gov (United States)

    Zick, Tom O.; Weisz, Daniel R.; Boylan-Kolchin, Michael

    2018-06-01

    We present the reconstructed evolution of rest-frame ultraviolet (UV) luminosities of the most massive Milky Way dwarf spheroidal satellite galaxy, Fornax, and its five globular clusters (GCs) across redshift, based on analysis of the stellar fossil record and stellar population synthesis modelling. We find that (1) Fornax's (proto-)GCs can generate 10-100 times more UV flux than the field population, despite comprising 3. (3) GC formation can introduce order-of-magnitude errors in abundance matching. We also find that some compact HFF objects are consistent with the reconstructed properties of Fornax's GCs at the same redshifts (e.g. surface brightness, star formation rate), suggesting we may have already detected proto-GCs in the early Universe. Finally, we discuss the prospects for improving the connections between local GCs and proto-GCs detected in the early Universe.

  6. Highly sensitive determination of polycyclic aromatic hydrocarbons in ambient air dust by gas chromatography-mass spectrometry after molecularly imprinted polymer extraction

    Energy Technology Data Exchange (ETDEWEB)

    Krupadam, Reddithota J.; Bhagat, Bhagyashree; Khan, Muntazir S. [National Environmental Engineering Research Institute, Nagpur (India)

    2010-08-15

    A method based on solid-phase extraction with a molecularly imprinted polymer (MIP) has been developed to determine five probable human carcinogenic polycyclic aromatic hydrocarbons (PAHs) in ambient air dust by gas chromatography-mass spectrometry (GC-MS). Molecularly imprinted poly(vinylpyridine-co-ethylene glycol dimethacrylate) was chosen as solid-phase extraction (SPE) material for PAHs. The conditions affecting extraction efficiency, for example surface properties, concentration of PAHs, and equilibration times were evaluated and optimized. Under optimum conditions, pre-concentration factors for MIP-SPE ranged between 80 and 93 for 10 mL ambient air dust leachate. PAHs recoveries from MIP-SPE after extraction from air dust were between 85% and 97% and calibration graphs of the PAHs showed a good linearity between 10 and 1000 ng L{sup -1} (r=0.99). The extraction efficiency of MIP for PAHs was compared with that of commercially available SPE materials - powdered activated carbon (PAC) and polystyrene-divinylbenzene resin (XAD) - and it was shown that the extraction capacity of the MIP was better than that of the other two SPE materials. Organic matter in air dust had no effect on MIP extraction, which produced a clean extract for GC-MS analysis. The detection limit of the method proposed in this article is 0.15 ng L{sup -1} for benzo[a]pyrene, which is a marker molecule of air pollution. The method has been applied to the determination of probable carcinogenic PAHs in air dust of industrial zones and satisfactory results were obtained. (orig.)

  7. Highly sensitive determination of polycyclic aromatic hydrocarbons in ambient air dust by gas chromatography-mass spectrometry after molecularly imprinted polymer extraction.

    Science.gov (United States)

    Krupadam, Reddithota J; Bhagat, Bhagyashree; Khan, Muntazir S

    2010-08-01

    A method based on solid--phase extraction with a molecularly imprinted polymer (MIP) has been developed to determine five probable human carcinogenic polycyclic aromatic hydrocarbons (PAHs) in ambient air dust by gas chromatography-mass spectrometry (GC-MS). Molecularly imprinted poly(vinylpyridine-co-ethylene glycol dimethacrylate) was chosen as solid-phase extraction (SPE) material for PAHs. The conditions affecting extraction efficiency, for example surface properties, concentration of PAHs, and equilibration times were evaluated and optimized. Under optimum conditions, pre-concentration factors for MIP-SPE ranged between 80 and 93 for 10 mL ambient air dust leachate. PAHs recoveries from MIP-SPE after extraction from air dust were between 85% and 97% and calibration graphs of the PAHs showed a good linearity between 10 and 1000 ng L(-1) (r = 0.99). The extraction efficiency of MIP for PAHs was compared with that of commercially available SPE materials--powdered activated carbon (PAC) and polystyrene-divinylbenzene resin (XAD)--and it was shown that the extraction capacity of the MIP was better than that of the other two SPE materials. Organic matter in air dust had no effect on MIP extraction, which produced a clean extract for GC-MS analysis. The detection limit of the method proposed in this article is 0.15 ng L(-1) for benzo[a]pyrene, which is a marker molecule of air pollution. The method has been applied to the determination of probable carcinogenic PAHs in air dust of industrial zones and satisfactory results were obtained.

  8. ACCOUNTING FOR COSMIC VARIANCE IN STUDIES OF GRAVITATIONALLY LENSED HIGH-REDSHIFT GALAXIES IN THE HUBBLE FRONTIER FIELD CLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Robertson, Brant E.; Stark, Dan P. [Steward Observatory, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); Ellis, Richard S. [Department of Astronomy, California Institute of Technology, MS 249-17, Pasadena, CA 91125 (United States); Dunlop, James S.; McLure, Ross J.; McLeod, Derek, E-mail: brant@email.arizona.edu [Institute for Astronomy, University of Edinburgh, Royal Observatory, Edinburgh EH9 3HJ (United Kingdom)

    2014-12-01

    Strong gravitational lensing provides a powerful means for studying faint galaxies in the distant universe. By magnifying the apparent brightness of background sources, massive clusters enable the detection of galaxies fainter than the usual sensitivity limit for blank fields. However, this gain in effective sensitivity comes at the cost of a reduced survey volume and, in this Letter, we demonstrate that there is an associated increase in the cosmic variance uncertainty. As an example, we show that the cosmic variance uncertainty of the high-redshift population viewed through the Hubble Space Telescope Frontier Field cluster Abell 2744 increases from ∼35% at redshift z ∼ 7 to ≳ 65% at z ∼ 10. Previous studies of high-redshift galaxies identified in the Frontier Fields have underestimated the cosmic variance uncertainty that will affect the ultimate constraints on both the faint-end slope of the high-redshift luminosity function and the cosmic star formation rate density, key goals of the Frontier Field program.

  9. Phylogeography of var gene repertoires reveals fine-scale geospatial clustering of Plasmodium falciparum populations in a highly endemic area.

    Science.gov (United States)

    Tessema, Sofonias K; Monk, Stephanie L; Schultz, Mark B; Tavul, Livingstone; Reeder, John C; Siba, Peter M; Mueller, Ivo; Barry, Alyssa E

    2015-01-01

    Plasmodium falciparum malaria is a major global health problem that is being targeted for progressive elimination. Knowledge of local disease transmission patterns in endemic countries is critical to these elimination efforts. To investigate fine-scale patterns of malaria transmission, we have compared repertoires of rapidly evolving var genes in a highly endemic area. A total of 3680 high-quality DBLα-sequences were obtained from 68 P. falciparum isolates from ten villages spread over two distinct catchment areas on the north coast of Papua New Guinea (PNG). Modelling of the extent of var gene diversity in the two parasite populations predicts more than twice as many var gene alleles circulating within each catchment (Mugil = 906; Wosera = 1094) than previously recognized in PNG (Amele = 369). In addition, there were limited levels of var gene sharing between populations, consistent with local parasite population structure. Phylogeographic analyses demonstrate that while neutrally evolving microsatellite markers identified population structure only at the catchment level, var gene repertoires reveal further fine-scale geospatial clustering of parasite isolates. The clustering of parasite isolates by village in Mugil, but not in Wosera was consistent with the physical and cultural isolation of the human populations in the two catchments. The study highlights the microheterogeneity of P. falciparum transmission in highly endemic areas and demonstrates the potential of var genes as markers of local patterns of parasite population structure. © 2014 John Wiley & Sons Ltd.

  10. ACCOUNTING FOR COSMIC VARIANCE IN STUDIES OF GRAVITATIONALLY LENSED HIGH-REDSHIFT GALAXIES IN THE HUBBLE FRONTIER FIELD CLUSTERS

    International Nuclear Information System (INIS)

    Robertson, Brant E.; Stark, Dan P.; Ellis, Richard S.; Dunlop, James S.; McLure, Ross J.; McLeod, Derek

    2014-01-01

    Strong gravitational lensing provides a powerful means for studying faint galaxies in the distant universe. By magnifying the apparent brightness of background sources, massive clusters enable the detection of galaxies fainter than the usual sensitivity limit for blank fields. However, this gain in effective sensitivity comes at the cost of a reduced survey volume and, in this Letter, we demonstrate that there is an associated increase in the cosmic variance uncertainty. As an example, we show that the cosmic variance uncertainty of the high-redshift population viewed through the Hubble Space Telescope Frontier Field cluster Abell 2744 increases from ∼35% at redshift z ∼ 7 to ≳ 65% at z ∼ 10. Previous studies of high-redshift galaxies identified in the Frontier Fields have underestimated the cosmic variance uncertainty that will affect the ultimate constraints on both the faint-end slope of the high-redshift luminosity function and the cosmic star formation rate density, key goals of the Frontier Field program

  11. Study of remobilization polycyclic aromatic hydrocarbons (PAHs) in contaminated matrices

    International Nuclear Information System (INIS)

    Belkessam, L.; Vessigaud, S.; Laboudigue, A.; Vessigaud, S.; Perrin-Ganier, C.; Schiavon, M.; Denys, S.

    2005-01-01

    Polycyclic aromatic hydrocarbons (PAHs) originate from many pyrolysis processes. They are widespread environmental pollutants because some of them present toxic and genotoxic properties. In coal pyrolysis sites such as former manufactured gas plants and coke production plants, coal tar is a major source of PAHs. The management of such sites requires better understanding of the mechanisms that control release of PAHs to the biosphere. Determining total PAH concentrations is not sufficient since it does not inform about the pollutants availability to environmental processes. The fate and transport of PAHs in soil are governed by sorption and microbial processes which are well documented. Globally, enhancing retention of the compounds by a solid matrix reduces the risk of pollutant dispersion, but decreases their accessibility to microbial microflora. Conversely, the remobilization of organics from contaminated solid matrices represents a potential hazard since these pollutants can reach groundwater resources. However the available data are often obtained from laboratory experiments in which many field parameters can not be taken into account (long term, temperature, co-pollution, ageing phenomenon, heterogenous distribution of pollution). The present work focuses on the influence assessment and understanding of some of these parameters on PAHs remobilization from heavily polluted matrices in near-field conditions (industrial contaminated matrices, high contact time, ..). Results concerning effects of temperature and physical state of pollution (dispersed among the soil or condensed in small clusters or in coal tar) are presented. (authors)

  12. Globular Cluster Formation at High Density: A Model for Elemental Enrichment with Fast Recycling of Massive-star Debris

    Energy Technology Data Exchange (ETDEWEB)

    Elmegreen, Bruce G., E-mail: bge@us.ibm.com [IBM Research Division, T.J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY 10598 (United States)

    2017-02-10

    The self-enrichment of massive star clusters by p -processed elements is shown to increase significantly with increasing gas density as a result of enhanced star formation rates and stellar scatterings compared to the lifetime of a massive star. Considering the type of cloud core where a globular cluster (GC) might have formed, we follow the evolution and enrichment of the gas and the time dependence of stellar mass. A key assumption is that interactions between massive stars are important at high density, including interactions between massive stars and massive-star binaries that can shred stellar envelopes. Massive-star interactions should also scatter low-mass stars out of the cluster. Reasonable agreement with the observations is obtained for a cloud-core mass of ∼4 × 10{sup 6} M {sub ⊙} and a density of ∼2 × 10{sup 6} cm{sup −3}. The results depend primarily on a few dimensionless parameters, including, most importantly, the ratio of the gas consumption time to the lifetime of a massive star, which has to be low, ∼10%, and the efficiency of scattering low-mass stars per unit dynamical time, which has to be relatively large, such as a few percent. Also for these conditions, the velocity dispersions of embedded GCs should be comparable to the high gas dispersions of galaxies at that time, so that stellar ejection by multistar interactions could cause low-mass stars to leave a dwarf galaxy host altogether. This could solve the problem of missing first-generation stars in the halos of Fornax and WLM.

  13. A Fast Exact k-Nearest Neighbors Algorithm for High Dimensional Search Using k-Means Clustering and Triangle Inequality.

    Science.gov (United States)

    Wang, Xueyi

    2012-02-08

    The k-nearest neighbors (k-NN) algorithm is a widely used machine learning method that finds nearest neighbors of a test object in a feature space. We present a new exact k-NN algorithm called kMkNN (k-Means for k-Nearest Neighbors) that uses the k-means clustering and the triangle inequality to accelerate the searching for nearest neighbors in a high dimensional space. The kMkNN algorithm has two stages. In the buildup stage, instead of using complex tree structures such as metric trees, kd-trees, or ball-tree, kMkNN uses a simple k-means clustering method to preprocess the training dataset. In the searching stage, given a query object, kMkNN finds nearest training objects starting from the nearest cluster to the query object and uses the triangle inequality to reduce the distance calculations. Experiments show that the performance of kMkNN is surprisingly good compared to the traditional k-NN algorithm and tree-based k-NN algorithms such as kd-trees and ball-trees. On a collection of 20 datasets with up to 10(6) records and 10(4) dimensions, kMkNN shows a 2-to 80-fold reduction of distance calculations and a 2- to 60-fold speedup over the traditional k-NN algorithm for 16 datasets. Furthermore, kMkNN performs significant better than a kd-tree based k-NN algorithm for all datasets and performs better than a ball-tree based k-NN algorithm for most datasets. The results show that kMkNN is effective for searching nearest neighbors in high dimensional spaces.

  14. Polycyclic aromatic hydrocarbons in model bacterial membranes - Langmuir monolayer studies.

    Science.gov (United States)

    Broniatowski, Marcin; Binczycka, Martyna; Wójcik, Aneta; Flasiński, Michał; Wydro, Paweł

    2017-12-01

    High molecular weight polycyclic aromatic hydrocarbons (HMW-PAHs) are persistent organic pollutants which due to their limited biodegradability accumulate in soils where their increased presence can lead to the impoverishment of the decomposer organisms. As very hydrophobic PAHs easily penetrate cellular membranes of soil bacteria and can be incorporated therein, changing the membrane fluidity and other functions which in consequence can lead to the death of the organism. The structure and size of PAH molecule can be crucial for its membrane activity; however the correlation between PAH structure and its interaction with phospholipids have not been investigated so far. In our studies we applied phospholipid Langmuir monolayers as model bacterial membranes and investigated how the incorporation of six structurally different PAH molecules change the membrane texture and physical properties. In our studies we registered surface pressure and surface potential isotherms upon the monolayer compression, visualized the monolayer texture with the application of Brewster angle microscopy and searched the ordering of the film-forming molecules with molecular resolution with the application of grazing incidence X-ray diffraction (GIXD) method. It turned out that the phospholipid-PAH interactions are strictly structure dependent. Four and five-ring PAHs of the angular or cluster geometry can be incorporated into the model membranes changing profoundly their textures and fluidity; whereas linear or large cluster PAHs cannot be incorporated and separate from the lipid matrix. The observed phenomena were explained based on structural similarities of the applied PAHs with membrane steroids and hopanoids. Copyright © 2017. Published by Elsevier B.V.

  15. Cluster headache

    Science.gov (United States)

    Histamine headache; Headache - histamine; Migrainous neuralgia; Headache - cluster; Horton's headache; Vascular headache - cluster ... Doctors do not know exactly what causes cluster headaches. They ... (chemical in the body released during an allergic response) or ...

  16. ALMA Observations of Gas-rich Galaxies in z ∼ 1.6 Galaxy Clusters: Evidence for Higher Gas Fractions in High-density Environments

    Energy Technology Data Exchange (ETDEWEB)

    Noble, A. G.; McDonald, M. [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Muzzin, A. [Department of Physics and Astronomy, York University, 4700 Keele Street, Toronto, ON MJ3 1P3 (Canada); Nantais, J. [Departamento de Ciencias Físicas, Universidad Andres Bello, Fernandez Concha 700, Las Condes 7591538, Santiago, Región Metropolitana (Chile); Rudnick, G. [The University of Kansas, Department of Physics and Astronomy, 1251 Wescoe Hall Drive, Lawrence, KS 66045 (United States); Van Kampen, E.; Manilla-Robles, A. [European Southern Observatory, Karl-Schwarzschild-Strasse 2, D-85748 Garching bei München (Germany); Webb, T. M. A.; Delahaye, A. [Department of Physics, McGill University, 3600 rue University, Montréal, QC H3A 2T8 (Canada); Wilson, G.; DeGroot, A.; Foltz, R. [Department of Physics and Astronomy, University of California, Riverside, CA 92521 (United States); Yee, H. K. C. [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON M5S 3H4 (Canada); Boone, K.; Hayden, B.; Perlmutter, S. [Department of Physics, University of California Berkeley, 366 LeConte Hall, MC 7300, Berkeley, CA 94720-7300 (United States); Cooper, M. C. [Department of Physics and Astronomy, University of California, Irvine, 4129 Frederick Reines Hall, Irvine, CA 92697 (United States); Demarco, R. [Departamento de Astronomía, Universidad de Concepción, Casilla 160-C, Concepción, Región del Biobío (Chile); Lidman, C., E-mail: noble@mit.edu [Australian Astronomical Observatory, 105 Delhi Road, North Ryde, NSW 2113 (Australia)

    2017-06-20

    We present ALMA CO (2–1) detections in 11 gas-rich cluster galaxies at z ∼ 1.6, constituting the largest sample of molecular gas measurements in z > 1.5 clusters to date. The observations span three galaxy clusters, derived from the Spitzer Adaptation of the Red-sequence Cluster Survey. We augment the >5 σ detections of the CO (2–1) fluxes with multi-band photometry, yielding stellar masses and infrared-derived star formation rates, to place some of the first constraints on molecular gas properties in z ∼ 1.6 cluster environments. We measure sizable gas reservoirs of 0.5–2 × 10{sup 11} M {sub ☉} in these objects, with high gas fractions ( f {sub gas}) and long depletion timescales ( τ ), averaging 62% and 1.4 Gyr, respectively. We compare our cluster galaxies to the scaling relations of the coeval field, in the context of how gas fractions and depletion timescales vary with respect to the star-forming main sequence. We find that our cluster galaxies lie systematically off the field scaling relations at z = 1.6 toward enhanced gas fractions, at a level of ∼4 σ , but have consistent depletion timescales. Exploiting CO detections in lower-redshift clusters from the literature, we investigate the evolution of the gas fraction in cluster galaxies, finding it to mimic the strong rise with redshift in the field. We emphasize the utility of detecting abundant gas-rich galaxies in high-redshift clusters, deeming them as crucial laboratories for future statistical studies.

  17. The Atacama Cosmology Telescope: High-Resolution Sunyaev-Zel'dovich Array Observations of ACT SZE-Selected Clusters from the Equatorial Strip

    Science.gov (United States)

    Reese, Erik D.; Mroczkowski, Tony; Menanteau, Felipe; Hilton, Matt; Sievers, Jonathan; Aguirre, Paula; Appel, John William; Baker, Andrew J.; Bond, J. Richard; Das, Sudeep; hide

    2011-01-01

    We present follow-up observations with the Sunyaev-Zel'dovich Array (SZA) of optically-confirmed galaxy clusters found in the equatorial survey region of the Atacama Cosmology Telescope (ACT): ACT-CL J0022-0036, ACT-CL J2051+0057, and ACT-CL J2337+0016. ACT-CL J0022-0036 is a newly-discovered, massive (10(exp 15) Msun), high-redshift (z=0.81) cluster revealed by ACT through the Sunyaev-Zel'dovich effect (SZE). Deep, targeted observations with the SZA allow us to probe a broader range of cluster spatial scales, better disentangle cluster decrements from radio point source emission, and derive more robust integrated SZE flux and mass estimates than we can with ACT data alone. For the two clusters we detect with the SZA we compute integrated SZE signal and derive masses from the SZA data only. ACT-CL J2337+0016, also known as Abell 2631, has archival Chandra data that allow an additional X-ray-based mass estimate. Optical richness is also used to estimate cluster masses and shows good agreement with the SZE and X-ray-based estimates. Based on the point sources detected by the SZA in these three cluster fields and an extrapolation to ACT's frequency, we estimate that point sources could be contaminating the SZE decrement at the less than = 20% level for some fraction of clusters.

  18. The Atacama Cosmology Telescope: High-Resolution Sunyaev-Zeldovich Array Observations of ACT SZE-Selected Clusters from the Equatorial Strip

    Science.gov (United States)

    Reese, Erik; Mroczkowski, Tony; Menateau, Felipe; Hilton, Matt; Sievers, Jonathan; Aguirre, Paula; Appel, John William; Baker, Andrew J.; Bond, J. Richard; Das, Sudeep; hide

    2011-01-01

    We present follow-up observations with the Sunyaev-Zel'dovich Array (SZA) of optically-confirmed galaxy clusters found in the equatorial survey region of the Atacama Cosmology Telescope (ACT): ACT-CL J0022-0036, ACT-CL J2051+0057, and ACT-CL J2337+0016. ACT-CL J0022-0036 is a newly-discovered, massive ( approximately equals 10(exp 15) Solar M), high-redshift (z = 0.81) cluster revealed by ACT through the Sunyaev-Zeldovich effect (SZE). Deep, targeted observations with the SZA allow us to probe a broader range of cluster spatial scales, better disentangle cluster decrements from radio point source emission, and derive more robust integrated SZE flux and mass estimates than we can with ACT data alone. For the two clusters we detect with the SZA we compute integrated SZE signal and derive masses from the SZA data only. ACT-CL J2337+0016, also known as Abell 2631, has archival Chandra data that allow an additional X-ray-based mass estimate. Optical richness is also used to estimate cluster masses and shows good agreement with the SZE and X-ray-based estimates. Based on the point sources detected by the SZA in these three cluster fields and an extrapolation to ACT's frequency, we estimate that point sources could be contaminating the SZE decrement at the approx < 20% level for some fraction of clusters.

  19. THE ATACAMA COSMOLOGY TELESCOPE: HIGH-RESOLUTION SUNYAEV-ZEL'DOVICH ARRAY OBSERVATIONS OF ACT SZE-SELECTED CLUSTERS FROM THE EQUATORIAL STRIP

    Energy Technology Data Exchange (ETDEWEB)

    Reese, Erik D.; Mroczkowski, Tony; Devlin, Mark J.; Dicker, Simon R. [Department of Physics and Astronomy, University of Pennsylvania, 209 South 33rd Street, Philadelphia, PA 19104 (United States); Menanteau, Felipe; Baker, Andrew J. [Department of Physics and Astronomy, Rutgers, The State University of New Jersey, Piscataway, NJ 08854-8019 (United States); Hilton, Matt [School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD (United Kingdom); Sievers, Jonathan; Bond, J. Richard; Hajian, Amir [Canadian Institute for Theoretical Astrophysics, University of Toronto, Toronto, ON M5S 3H8 (Canada); Aguirre, Paula; Duenner, Rolando [Departamento de Astronomia y Astrofisica, Facultad de Fisica, Pontificia Universidad Catolica de Chile, Casilla 306, Santiago 22 (Chile); Appel, John William; Das, Sudeep; Essinger-Hileman, Thomas; Hincks, Adam D. [Joseph Henry Laboratories of Physics, Jadwin Hall, Princeton University, Princeton, NJ 08544 (United States); Fowler, Joseph W.; Hill, J. Colin [Department of Astrophysical Sciences, Peyton Hall, Princeton University, Princeton, NJ 08544 (United States); Halpern, Mark; Hasselfield, Matthew [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC V6T 1Z4 (Canada); and others

    2012-05-20

    We present follow-up observations with the Sunyaev-Zel'dovich Array (SZA) of optically confirmed galaxy clusters found in the equatorial survey region of the Atacama Cosmology Telescope (ACT): ACT-CL J0022-0036, ACT-CL J2051+0057, and ACT-CL J2337+0016. ACT-CL J0022-0036 is a newly discovered, massive ({approx_equal} 10{sup 15} M{sub Sun }), high-redshift (z = 0.81) cluster revealed by ACT through the Sunyaev-Zel'dovich effect (SZE). Deep, targeted observations with the SZA allow us to probe a broader range of cluster spatial scales, better disentangle cluster decrements from radio point-source emission, and derive more robust integrated SZE flux and mass estimates than we can with ACT data alone. For the two clusters we detect with the SZA we compute integrated SZE signal and derive masses from the SZA data only. ACT-CL J2337+0016, also known as A2631, has archival Chandra data that allow an additional X-ray-based mass estimate. Optical richness is also used to estimate cluster masses and shows good agreement with the SZE and X-ray-based estimates. Based on the point sources detected by the SZA in these three cluster fields and an extrapolation to ACT's frequency, we estimate that point sources could be contaminating the SZE decrement at the {approx}< 20% level for some fraction of clusters.

  20. Fragmentation of neutral carbon clusters formed by high velocity atomic collision; Fragmentation d'agregats de carbone neutres formes par collision atomique a haute vitesse

    Energy Technology Data Exchange (ETDEWEB)

    Martinet, G

    2004-05-01

    The aim of this work is to understand the fragmentation of small neutral carbon clusters formed by high velocity atomic collision on atomic gas. In this experiment, the main way of deexcitation of neutral clusters formed by electron capture with ionic species is the fragmentation. To measure the channels of fragmentation, a new detection tool based on shape analysis of current pulse delivered by semiconductor detectors has been developed. For the first time, all branching ratios of neutral carbon clusters are measured in an unambiguous way for clusters size up to 10 atoms. The measurements have been compared to a statistical model in microcanonical ensemble (Microcanonical Metropolis Monte Carlo). In this model, various structural properties of carbon clusters are required. These data have been calculated with Density Functional Theory (DFT-B3LYP) to find the geometries of the clusters and then with Coupled Clusters (CCSD(T)) formalism to obtain dissociation energies and other quantities needed to compute fragmentation calculations. The experimental branching ratios have been compared to the fragmentation model which has allowed to find an energy distribution deposited in the collision. Finally, specific cluster effect has been found namely a large population of excited states. This behaviour is completely different of the atomic carbon case for which the electron capture in the ground states predominates. (author)

  1. Biotransformation of the high-molecular weight polycyclic aromatic hydrocarbon (PAH) benzo[k]fluoranthene by Sphingobium sp. strain KK22 and identification of new products of non-alternant PAH biodegradation by liquid chromatography electrospray ionization tandem mass spectrometry

    Science.gov (United States)

    Maeda, Allyn H; Nishi, Shinro; Hatada, Yuji; Ozeki, Yasuhiro; Kanaly, Robert A

    2014-01-01

    A pathway for the biotransformation of the environmental pollutant and high-molecular weight polycyclic aromatic hydrocarbon (PAH) benzo[k]fluoranthene by a soil bacterium was constructed through analyses of results from liquid chromatography negative electrospray ionization tandem mass spectrometry (LC/ESI(–)-MS/MS). Exposure of Sphingobium sp. strain KK22 to benzo[k]fluoranthene resulted in transformation to four-, three-and two-aromatic ring products. The structurally similar four-and three-ring non-alternant PAHs fluoranthene and acenaphthylene were also biotransformed by strain KK22, and LC/ESI(–)-MS/MS analyses of these products confirmed the lower biotransformation pathway proposed for benzo[k]fluoranthene. In all, seven products from benzo[k]fluoranthene and seven products from fluoranthene were revealed and included previously unreported products from both PAHs. Benzo[k]fluoranthene biotransformation proceeded through ortho-cleavage of 8,9-dihydroxy-benzo[k]fluoranthene to 8-carboxyfluoranthenyl-9-propenic acid and 9-hydroxy-fluoranthene-8-carboxylic acid, and was followed by meta-cleavage to produce 3-(2-formylacenaphthylen-1-yl)-2-hydroxy-prop-2-enoic acid. The fluoranthene pathway converged with the benzo[k]fluoranthene pathway through detection of the three-ring product, 2-formylacenaphthylene-1-carboxylic acid. Production of key downstream metabolites, 1,8-naphthalic anhydride and 1-naphthoic acid from benzo[k]fluoranthene, fluoranthene and acenaphthylene biotransformations provided evidence for a common pathway by strain KK22 for all three PAHs through acenaphthoquinone. Quantitative analysis of benzo[k]fluoranthene biotransformation by strain KK22 confirmed biodegradation. This is the first pathway proposed for the biotransformation of benzo[k]fluoranthene by a bacterium. PMID:24325265

  2. Biotransformation of the high-molecular weight polycyclic aromatic hydrocarbon (PAH) benzo[k]fluoranthene by Sphingobium sp. strain KK22 and identification of new products of non-alternant PAH biodegradation by liquid chromatography electrospray ionization tandem mass spectrometry.

    Science.gov (United States)

    Maeda, Allyn H; Nishi, Shinro; Hatada, Yuji; Ozeki, Yasuhiro; Kanaly, Robert A

    2014-03-01

    A pathway for the biotransformation of the environmental pollutant and high-molecular weight polycyclic aromatic hydrocarbon (PAH) benzo[k]fluoranthene by a soil bacterium was constructed through analyses of results from liquid chromatography negative electrospray ionization tandem mass spectrometry (LC/ESI(-)-MS/MS). Exposure of Sphingobium sp. strain KK22 to benzo[k]fluoranthene resulted in transformation to four-, three- and two-aromatic ring products. The structurally similar four- and three-ring non-alternant PAHs fluoranthene and acenaphthylene were also biotransformed by strain KK22, and LC/ESI(-)-MS/MS analyses of these products confirmed the lower biotransformation pathway proposed for benzo[k]fluoranthene. In all, seven products from benzo[k]fluoranthene and seven products from fluoranthene were revealed and included previously unreported products from both PAHs. Benzo[k]fluoranthene biotransformation proceeded through ortho-cleavage of 8,9-dihydroxy-benzo[k]fluoranthene to 8-carboxyfluoranthenyl-9-propenic acid and 9-hydroxy-fluoranthene-8-carboxylic acid, and was followed by meta-cleavage to produce 3-(2-formylacenaphthylen-1-yl)-2-hydroxy-prop-2-enoic acid. The fluoranthene pathway converged with the benzo[k]fluoranthene pathway through detection of the three-ring product, 2-formylacenaphthylene-1-carboxylic acid. Production of key downstream metabolites, 1,8-naphthalic anhydride and 1-naphthoic acid from benzo[k]fluoranthene, fluoranthene and acenaphthylene biotransformations provided evidence for a common pathway by strain KK22 for all three PAHs through acenaphthoquinone. Quantitative analysis of benzo[k]fluoranthene biotransformation by strain KK22 confirmed biodegradation. This is the first pathway proposed for the biotransformation of benzo[k]fluoranthene by a bacterium. © 2013 The Authors. Microbial Biotechnology published by John Wiley & Sons Ltd and Society for Applied Microbiology.

  3. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    International Nuclear Information System (INIS)

    Rajagopal, Appavu; Deepa, Mohan; Govindaraju, Munisamy

    2016-01-01

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”

  4. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Rajagopal, Appavu; Deepa, Mohan [Molecular Biophysics Unit, Indian Institute of Sciences-Bangalore, Karnataka (India); Govindaraju, Munisamy [Bio-Spatial Technology Research Unit, Department of Environmental Biotechnology, School of Environmental Sciences, Bharathidasan University, Tiruchirappalli, Tamil Nadu (India)

    2016-02-26

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”.

  5. A new high-speed hollow fiber based liquid phase microextraction method using volatile organic solvent for determination of aromatic amines in environmental water samples prior to high-performance liquid chromatography.

    Science.gov (United States)

    Sarafraz-Yazdi, A; Mofazzeli, F; Es'haghi, Z

    2009-07-15

    A new and fast hollow fiber based liquid phase microextraction (HF-LPME) method using volatile organic solvents coupled with high-performance liquid chromatography (HPLC) was developed for determination of aromatic amines in the environmental water samples. Analytes including 3-nitroaniline, 3-chloroaniline and 4-bromoaniline were extracted from 6 mL basic aqueous sample solution (donor phase, NaOH 1 mol L(-1)) into the thin film of organic solvent that surrounded and impregnated the pores of the polypropylene hollow fiber wall (toluene, 20 microL), then back-extracted into the 6 mL acidified aqueous solution (acceptor phase, HCl 0.5 mol L(-1)) in the lumen of the two-end sealed hollow fiber. After the extraction, 5 microL of the acceptor phase was withdrawn into the syringe and injected directly into the HPLC system for the analysis. The parameters influencing the extraction efficiency including the kind of organic solvent and its volume, composition of donor and acceptor phases and the volume ratio between them, extraction time, stirring rate, salt addition and the effect of the analyte complexation with 18-crown-6 ether were investigated and optimized. Under the optimal conditions (donor phase: 6 mL of 1 mol L(-1) NaOH with 10% NaCl; organic phase: 20 microL of toluene; acceptor phase: 6 microL of 0.5 mol L(-1) HCl and 600 mmol L(-1) 18-crown-6 ether; pre-extraction and back-extraction times: 75 s and 10 min, respectively; stirring rate: 800 rpm), the obtained EFs were between 259 and 674, dynamic linear ranges were 0.1-1000 microg L(-1) (R>0.9991), and also the limits of detection were in the range of 0.01-0.1 micro gL(-1). The proposed procedure worked very well for real environmental water samples with microgram per liter level of the analytes, and good relative recoveries (91-102%) were obtained for the spiked sample solutions.

  6. Development of innovative methods for risk assessment in high-rise construction based on clustering of risk factors

    Science.gov (United States)

    Okolelova, Ella; Shibaeva, Marina; Shalnev, Oleg

    2018-03-01

    The article analyses risks in high-rise construction in terms of investment value with account of the maximum probable loss in case of risk event. The authors scrutinized the risks of high-rise construction in regions with various geographic, climatic and socio-economic conditions that may influence the project environment. Risk classification is presented in general terms, that includes aggregated characteristics of risks being common for many regions. Cluster analysis tools, that allow considering generalized groups of risk depending on their qualitative and quantitative features, were used in order to model the influence of the risk factors on the implementation of investment project. For convenience of further calculations, each type of risk is assigned a separate code with the number of the cluster and the subtype of risk. This approach and the coding of risk factors makes it possible to build a risk matrix, which greatly facilitates the task of determining the degree of impact of risks. The authors clarified and expanded the concept of the price risk, which is defined as the expected value of the event, 105 which extends the capabilities of the model, allows estimating an interval of the probability of occurrence and also using other probabilistic methods of calculation.

  7. 13C-NMR Study on Structure Evolution Characteristics of High-Organic-Sulfur Coals from Typical Chinese Areas

    Directory of Open Access Journals (Sweden)

    Qiang Wei

    2018-02-01

    Full Text Available The structure evolution characteristics of high-organic-sulfur (HOS coals with a wide range of ranks from typical Chinese areas were investigated using 13C-CP/MAS NMR. The results indicate that the structure parameters that are relevant to coal rank include CH3 carbon (fal*, quaternary carbon, CH/CH2 carbon + quaternary carbon (falH, aliphatic carbon (falC, protonated aromatic carbon (faH, protonated aromatic carbon + aromatic bridgehead carbon (faH+B, aromaticity (faCP, and aromatic carbon (farC. The coal structure changed dramatically in the first two coalification jumps, especially the first one. A large number of aromatic structures condensed, and aliphatic structures rapidly developed at the initial stage of bituminous coal accompanied by remarkable decarboxylation. Compared to ordinary coals, the structure evolution characteristics of HOS coals manifest in three ways: First, the aromatic CH3 carbon, alkylated aromatic carbon (faS, aromatic bridgehead carbon (faB, and phenolic ether (faP are barely relevant to rank, and abundant organic sulfur has an impact on the normal evolution process of coal. Second, the average aromatic cluster sizes of some super-high-organic-sulfur (SHOS coals are not large, and the extensive development of cross bonds and/or bridged bonds form closer connections among the aromatic fringes. Moreover, sulfur-containing functional groups are probably significant components in these linkages. Third, a considerable portion of “oxygen-containing functional groups” in SHOS coals determined by 13C-NMR are actually sulfur-containing groups, which results in the anomaly that the oxygen-containing structures increase with coal rank.

  8. Microbial degradation of polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Volkering, F.; Breure, A.M.; Andel, J.G. van

    1992-01-01

    Polycyclic aromatic hydrocarbons (PAH) are hazardous compounds originating from oil, tar, creosote, or from incomplete combustion of fossil fuels. Application of biotechnological techniques for remediation of polluted soils from PAH demonstrated that the high molecular compounds are degraded very slowly, and that the residual concentration of PAH often is too high to permit application of the treated soil. Investigations were started to establish process parameters for optimal biodegradation of PAH. The aim is to achieve a relation between the physical properties of PAH and the biodegradation kinetics in different matrices, in order to identify applicability of biotechnological cleanup methods for waste streams and polluted soil. (orig.) [de

  9. Gravitational clustering in the expanding universe - Controlled high-resolution studies in two dimensions

    Science.gov (United States)

    Beacom, John Francis; Dominik, Kurt G.; Melott, Adrian L.; Perkins, Sam P.; Shandarin, Sergei F.

    1991-01-01

    Results are presented from a series of gravitational clustering simulations in two dimensions. These simulations are a significant departure from previous work, since in two dimensions one can have large dynamic range in both length scale and mass using present computer technology. Controlled experiments were conducted by varying the slope of power-law initial density fluctuation spectra and varying cutoffs at large k, while holding constant the phases of individual Fourier components and the scale of nonlinearity. Filaments are found in many different simulations, even with pure power-law initial conditions. By direct comparison, filaments, called 'second-generation pancakes' are shown to arise as a consequence of mild nonlinearity on scales much larger than the correlation length and are not relics of an initial lattice or due to sparse sampling of the Fourier components. Bumps of low amplitude in the two-point correlation are found to be generic but usually only statistical fluctuations. Power spectra are much easier to relate to initial conditions, and seem to follow a simple triangular shape (on log-log plot) in the nonlinear regime. The rms density fluctuation with Gaussian smoothing is the most stable indicator of nonlinearity.

  10. IONIZED GAS KINEMATICS AT HIGH RESOLUTION. V. [Ne ii], MULTIPLE CLUSTERS, HIGH EFFICIENCY STAR FORMATION, AND BLUE FLOWS IN HE 2–10

    International Nuclear Information System (INIS)

    Beck, Sara; Turner, Jean; Lacy, John; Greathouse, Thomas

    2015-01-01

    We measured the 12.8 μm [Ne ii] line in the dwarf starburst galaxy He 2–10 with the high-resolution spectrometer TEXES on the NASA IRTF. The data cube has a diffraction-limited spatial resolution of ∼1″ and a total velocity resolution, including thermal broadening, of ∼5 km s −1 . This makes it possible to compare the kinematics of individual star-forming clumps and molecular clouds in the three dimensions of space and velocity, and allows us to determine star formation efficiencies. The kinematics of the ionized gas confirm that the starburst contains multiple dense clusters. From the M/R of the clusters and the ≃30%–40% star formation efficiencies, the clusters are likely to be bound and long lived, like globulars. Non-gravitational features in the line profiles show how the ionized gas flows through the ambient molecular material, as well as a narrow velocity feature, which we identify with the interface of the H ii region and a cold dense clump. These data offer an unprecedented view of the interaction of embedded H ii regions with their environment

  11. Detection of chlorinated aromatic compounds

    Science.gov (United States)

    Ekechukwu, A.A.

    1996-02-06

    A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

  12. Cluster analyses of 20th century growth patterns in high elevation Great Basin bristlecone pine in the Snake Mountain Range, Nevada, USA

    Science.gov (United States)

    Tran, T. J.; Bruening, J. M.; Bunn, A. G.; Salzer, M. W.; Weiss, S. B.

    2015-12-01

    Great Basin bristlecone pine (Pinus longaeva) is a useful climate proxy because of the species' long lifespan (up to 5000 years) and the climatic sensitivity of its annually-resolved rings. Past studies have shown that growth of individual trees can be limited by temperature, soil moisture, or a combination of the two depending on biophysical setting at the scale of tens of meters. We extend recent research suggesting that trees vary in their growth response depending on their position on the landscape to analyze how growth patterns vary over time. We used hierarchical cluster analysis to examine the growth of 52 bristlecone pine trees near the treeline of Mount Washington, Nevada, USA. We classified growth of individual trees over the instrumental climate record into one of two possible scenarios: trees belonging to a temperature-sensitive cluster and trees belonging to a precipitation-sensitive cluster. The number of trees in the precipitation-sensitive cluster outnumbered the number of trees in the temperature-sensitive cluster, with trees in colder locations belonging to the temperature-sensitive cluster. When we separated the temporal range into two sections (1895-1949 and 1950-2002) spanning the length of the instrumental climate record, we found that most of the 52 trees remained loyal to their cluster membership (e.g., trees in the temperature-sensitive cluster in 1895-1949 were also in the temperature sensitive cluster in 1950-2002), though not without exception. Of those trees that do not remain consistent in cluster membership, the majority changed from temperature-sensitive to precipitation-sensitive as time progressed. This could signal a switch from temperature limitation to water limitation with warming climate. We speculate that topographic complexity in high mountain environments like Mount Washington might allow for climate refugia where growth response could remain constant over the Holocene.

  13. Aromatic plant production on metal contaminated soils

    International Nuclear Information System (INIS)

    Zheljazkov, Valtcho D.; Craker, Lyle E.; Xing Baoshan; Nielsen, Niels E.; Wilcox, Andrew

    2008-01-01

    Field and container experiments were conducted to assess the feasibility of growing aromatic crops in metal contaminated areas and the effect of metals on herbage and oil productivity. The field experiments were conducted in the vicinities of the Non-Ferrous Metals Combine (Zn-Cu smelter) near Plovdiv, Bulgaria using coriander, sage, dill, basil, hyssop, lemon balm, and chamomile grown at various distances from the smelter. Herbage essential oil yields of basil, chamomile, dill, and sage were reduced when they were grown closer to the smelter. Metal removal from the site with the harvestable plant parts was as high as 180 g ha -1 for Cd, 660 g ha -1 for Pb, 180 g ha -1 for Cu, 350 g ha -1 for Mn, and 205 g ha -1 for Zn. Sequential extraction of soil demonstrated that metal fractionation was affected by the distance to the smelter. With decreasing distance to the smelter, the transfer factor (TF) for Cu and Zn decreased but increased for Cd, while the bioavailability factor (BF) for Cd, Pb, Cu, Mn, and Zn decreased. Scanning electron microscopy and X-ray microanalyses of contaminated soil verified that most of the Pb, Cd, Mn, Cu, and Zn were in the form of small (< 1 μm) particles, although there were larger particles (1-5 μm) with high concentrations of individual metals. This study demonstrated that high concentrations of heavy metals in soil or growth medium did not result in metal transfer into the essential oil. Of the tested metals, only Cu at high concentrations may reduce oil content. Our results demonstrated that aromatic crops may not have significant phytoremediation potential, but growth of these crops in metal contaminated agricultural soils is a feasible alternative. Aromatic crops can provide economic return and metal-free final product, the essential oil

  14. Aromatic plant production on metal contaminated soils

    Energy Technology Data Exchange (ETDEWEB)

    Zheljazkov, Valtcho D. [Mississippi State, Department of Plant and Soil Sciences and North Mississippi Research and Extension Center, 5421 Highway 145 South, Verona, MS 38879 (United States)], E-mail: vj40@pss.msstate.edu; Craker, Lyle E.; Xing Baoshan [Department of Plant and Soil Sciences, 12 Stockbridge Hall, University of Massachusetts, Amherst, MA 01003 (United States); Nielsen, Niels E. [Plant Nutrition and Soil Fertility Lab, Department of Agricultural Sciences, Royal Veterinary and Agricultural University, Thorvaldsensvej 40, DK1871, Copenhagen (Denmark); Wilcox, Andrew [Harper Adams University College, Newport, Shropshire, TF10 8NB (United Kingdom)

    2008-06-01

    Field and container experiments were conducted to assess the feasibility of growing aromatic crops in metal contaminated areas and the effect of metals on herbage and oil productivity. The field experiments were conducted in the vicinities of the Non-Ferrous Metals Combine (Zn-Cu smelter) near Plovdiv, Bulgaria using coriander, sage, dill, basil, hyssop, lemon balm, and chamomile grown at various distances from the smelter. Herbage essential oil yields of basil, chamomile, dill, and sage were reduced when they were grown closer to the smelter. Metal removal from the site with the harvestable plant parts was as high as 180 g ha{sup -1} for Cd, 660 g ha{sup -1} for Pb, 180 g ha{sup -1} for Cu, 350 g ha{sup -1} for Mn, and 205 g ha{sup -1} for Zn. Sequential extraction of soil demonstrated that metal fractionation was affected by the distance to the smelter. With decreasing distance to the smelter, the transfer factor (TF) for Cu and Zn decreased but increased for Cd, while the bioavailability factor (BF) for Cd, Pb, Cu, Mn, and Zn decreased. Scanning electron microscopy and X-ray microanalyses of contaminated soil verified that most of the Pb, Cd, Mn, Cu, and Zn were in the form of small (< 1 {mu}m) particles, although there were larger particles (1-5 {mu}m) with high concentrations of individual metals. This study demonstrated that high concentrations of heavy metals in soil or growth medium did not result in metal transfer into the essential oil. Of the tested metals, only Cu at high concentrations may reduce oil content. Our results demonstrated that aromatic crops may not have significant phytoremediation potential, but growth of these crops in metal contaminated agricultural soils is a feasible alternative. Aromatic crops can provide economic return and metal-free final product, the essential oil.

  15. A high performance image processing platform based on CPU-GPU heterogeneous cluster with parallel image reconstroctions for micro-CT

    International Nuclear Information System (INIS)

    Ding Yu; Qi Yujin; Zhang Xuezhu; Zhao Cuilan

    2011-01-01

    In this paper, we report the development of a high-performance image processing platform, which is based on CPU-GPU heterogeneous cluster. Currently, it consists of a Dell Precision T7500 and HP XW8600 workstations with parallel programming and runtime environment, using the message-passing interface (MPI) and CUDA (Compute Unified Device Architecture). We succeeded in developing parallel image processing techniques for 3D image reconstruction of X-ray micro-CT imaging. The results show that a GPU provides a computing efficiency of about 194 times faster than a single CPU, and the CPU-GPU clusters provides a computing efficiency of about 46 times faster than the CPU clusters. These meet the requirements of rapid 3D image reconstruction and real time image display. In conclusion, the use of CPU-GPU heterogeneous cluster is an effective way to build high-performance image processing platform. (authors)

  16. Dark-ages reionization and galaxy formation simulation-XI. Clustering and halo masses of high redshift galaxies

    Science.gov (United States)

    Park, Jaehong; Kim, Han-Seek; Liu, Chuanwu; Trenti, Michele; Duffy, Alan R.; Geil, Paul M.; Mutch, Simon J.; Poole, Gregory B.; Mesinger, Andrei; Wyithe, J. Stuart B.

    2017-12-01

    We investigate the clustering properties of Lyman-break galaxies (LBGs) at z ∼ 6 - 8. Using the semi-analytical model MERAXES constructed as part of the dark-ages reionization and galaxy-formation observables from numerical simulation (DRAGONS) project, we predict the angular correlation function (ACF) of LBGs at z ∼ 6 - 8. Overall, we find that the predicted ACFs are in good agreement with recent measurements at z ∼ 6 and z ∼ 7.2 from observations consisting of the Hubble eXtreme Deep Field, the Hubble Ultra Deep Field and cosmic sssembly near-infrared deep extragalactic legacy survey field. We confirm the dependence of clustering on luminosity, with more massive dark matter haloes hosting brighter galaxies, remains valid at high redshift. The predicted galaxy bias at fixed luminosity is found to increase with redshift, in agreement with observations. We find that LBGs of magnitude MAB(1600) < -19.4 at 6 ≲ z ≲ 8 reside in dark matter haloes of mean mass ∼1011.0-1011.5 M⊙, and this dark matter halo mass does not evolve significantly during reionisation.

  17. The First Non-Dispersive High-Resolution Spectroscopy of an X-ray-bright Galaxy Cluster

    Science.gov (United States)

    Yamaguchi, Hiroya; Hitomi Collaboration

    2018-06-01

    The Hitomi X-ray Observatory was equipped with the Soft X-ray Spectrometer (SXS), an X-ray microcalorimeter that achieved an energy resolution of 5 eV (@0.5-10 keV) for extended objects. This offered an unprecedented benchmark of atomic modeling and database for hot collisional plasmas, revealing both successes and challenges in the current atomic codes that are widely used by the X-ray astronomy community. I will review the Hitomi observations of the brightest part of the Perseus Cluster, whose X-ray spectrum is dominated by thermal emission from the intra-cluster medium (ICM). The SXS successfully measured the turbulent velocities and metal abundances of the ICM, which radically altered our understanding of the dynamics and chemical enrichment in this object. At the same time, the high-resolution X-ray data led to significant improvement in the atomic models, such as AtomDB and SPEX -- I will briefly overview how this improvement was made. Nevertheless, there are still significant discrepancies among the public atomic models, causing systematic uncertainties in measurements of the temperature, abundance, and degree of the resonance scattering. Requirements for future improvements will be summarized in this context.

  18. Mining environmental high-throughput sequence data sets to identify divergent amplicon clusters for phylogenetic reconstruction and morphotype visualization.

    Science.gov (United States)

    Gimmler, Anna; Stoeck, Thorsten

    2015-08-01

    Environmental high-throughput sequencing (envHTS) is a very powerful tool, which in protistan ecology is predominantly used for the exploration of diversity and its geographic and local patterns. We here used a pyrosequenced V4-SSU rDNA data set from a solar saltern pond as test case to exploit such massive protistan amplicon data sets beyond this descriptive purpose. Therefore, we combined a Swarm-based blastn network including 11 579 ciliate V4 amplicons to identify divergent amplicon clusters with targeted polymerase chain reaction (PCR) primer design for full-length small subunit of the ribosomal DNA retrieval and probe design for fluorescence in situ hybridization (FISH). This powerful strategy allows to benefit from envHTS data sets to (i) reveal the phylogenetic position of the taxon behind divergent amplicons; (ii) improve phylogenetic resolution and evolutionary history of specific taxon groups; (iii) solidly assess an amplicons (species') degree of similarity to its closest described relative; (iv) visualize the morphotype behind a divergent amplicons cluster; (v) rapidly FISH screen many environmental samples for geographic/habitat distribution and abundances of the respective organism and (vi) to monitor the success of enrichment strategies in live samples for cultivation and isolation of the respective organisms. © 2015 Society for Applied Microbiology and John Wiley & Sons Ltd.

  19. High-resolution optical imaging of the core of the globular cluster M15 with FastCam

    Science.gov (United States)

    Díaz-Sánchez, Anastasio; Pérez-Garrido, Antonio; Villó, Isidro; Rebolo, Rafael; Pérez-Prieto, Jorge A.; Oscoz, Alejandro; Hildebrandt, Sergi R.; López, Roberto; Rodríguez, Luis F.

    2012-07-01

    We present high-resolution I -band imaging of the core of the globular cluster M15 obtained at the 2.5-m Nordic Optical Telescope with FastCam, a low readout noise L3CCD-based instrument. Short exposure times (30 ms) were used to record 200 000 images (512 × 512 pixels each) over a period of 2 h and 43 min. The lucky imaging technique was then applied to generate a final image of the cluster centre with full width at half-maximum ˜0.1 arcsec and 13 × 13 arcsec 2 field of view. We obtained a catalogue of objects in this region with a limiting magnitude of I = 19.5. I -band photometry and astrometry are reported for 1181 stars. This is the deepest I -band observation of the M15 core at this spatial resolution. Simulations show that crowding is limiting the completeness of the catalogue. At shorter wavelengths, a similar number of objects have been reported using Hubble Space Telescope (HST )/Wide Field Planetary Camera observations of the same field. The cross-match with the available HST catalogues allowed us to produce colour-magnitude diagrams where we identify new blue straggler star candidates and previously known stars of this class.

  20. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib; Ko, Sangwon; Bao, Zhenan

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier

  1. Cluster expression in fission and fusion in high-dimensional macroscopic-microscopic calculations

    International Nuclear Information System (INIS)

    Iwamoto, Akira; Ichikawa, Takatoshi; Moller, Peter; Sierk, Arnold J.

    2004-01-01

    We discuss the relation between the fission-fusion potential-energy surfaces of very heavy nuclei and the formation process of these nuclei in cold-fusion reactions. In the potential-energy surfaces, we find a pronounced valley structure, with one valley corresponding to the cold-fusion reaction, the other to fission. As the touching point is approached in the cold-fusion entrance channel, an instability towards dynamical deformation of the projectile occurs, which enhances the fusion cross section. These two 'cluster effects' enhance the production of superheavy nuclei in cold-fusion reactions, in addition to the effect of the low compound-system excitation energy in these reactions. Heavy-ion fusion reactions have been used extensively to synthesize heavy elements beyond actinide nuclei. In order to proceed further in this direction, we need to understand the formation process more precisely, not just the decay process. The dynamics of the formation process are considerably more complex than the dynamics necessary to interpret the spontaneous-fission decay of heavy elements. However, before implementing a full dynamical description it is useful to understand the basic properties of the potential-energy landscape encountered in the initial stages of the collision. The collision process and entrance-channel landscape can conveniently be separated into two parts, namely the early-stage separated system before touching and the late-stage composite system after touching. The transition between these two stages is particularly important, but not very well understood until now. To understand better the transition between the two stages we analyze here in detail the potential energy landscape or 'collision surface' of the system both outside and inside the touching configuration of the target and projectile. In Sec. 2, we discuss calculated five-dimensional potential-energy landscapes inside touching and identify major features. In Sec. 3, we present calculated

  2. [Polycyclic aromatic hydrocarbons monohydroxy metabolites level in urine of general population in eight provinces of China].

    Science.gov (United States)

    Huang, Chuanfeng; Zhang, Jing; Ding, Chunguang; Liu, Cuilan; Wang, Gang; Song, Xinkui; Huang, Hanlin; Zhu, Baoli; Shao, Hua; Zhao, Chunxiang; Han, Changcheng; Peng, Shanzhuo; Jiang, Xianlong; Yu, Shanfa; Ji, Hongrong; Zhang, Xiaoxi; Sun, Ran; Zheng, Yuxin; Yan, Huifang

    2014-02-01

    To assess the levels of polycyclic aromatic hydrocarbons monohydroxy metabolites in urine of general population in China among 8 provinces, provide the baseline of the metabolites in the general population. From 2009 to 2010, 18 120 subjects of general population aged 6-60 years old were recruited from 24 areas among 8 provinces in east, west and central areas of China mainland by cluster random sampling. The information of the living environment and health condition were collected by questionnaire and spot urine samples were collected, 4 680 urine samples were analysed by high performance liquid chromatography with tandem mass spectrometry, and monohydroxy metabolites distribution in urine among groups of gender and ages were analysed. Geometric means (GM) of 2-naphthol, 1-naphthol, 3-phenanthrol and 1-hydroxypyrene concentration in urine (95%CI) were 1.85 (1.75-1.95), 1.55 (1.50-1.61), 0.57 (0.54-0.59) and 0.82 (0.78-0.85) µg/L, respectively;and median are 2.44, population were significantly different (P population aged 6-12, 13-16, 17-20, 21-30, 31-45 and 46-60 years old were 1.60, 1.56, 1.69, 2.23, 1.91 and 1.86 µg/L (χ(2) = 17.90, P population were different, it provided a basic data for the further study of polycyclic aromatic hydrocarbons biomonitoring in the population.

  3. Cluster of Neisseria gonorrhoeae Isolates With High-level Azithromycin Resistance and Decreased Ceftriaxone Susceptibility, Hawaii, 2016.

    Science.gov (United States)

    Katz, Alan R; Komeya, Alan Y; Kirkcaldy, Robert D; Whelen, A Christian; Soge, Olusegun O; Papp, John R; Kersh, Ellen N; Wasserman, Glenn M; O'Connor, Norman P; O'Brien, Pamela S; Sato, Douglas T; Maningas, Eloisa V; Kunimoto, Gail Y; Tomas, Juval E

    2017-09-15

    The Centers for Disease Control and Prevention (CDC) currently recommends dual therapy with ceftriaxone and azithromycin for gonorrhea to ensure effective treatment and slow emergence of antimicrobial resistance. Since 2013, the prevalence of reduced azithromycin susceptibility increased in the United States; however, these strains were highly susceptible to cephalosporins. We identified a cluster of Neisseria gonorrhoeae isolates with high-level azithromycin resistance, several of which also demonstrated decreased ceftriaxone susceptibility. Eight N. gonorrhoeae isolates collected from 7 patients on Oahu, Hawaii, seen 21 April 2016 through 10 May 2016 underwent routine Etest antimicrobial susceptibility testing by the Hawaii Department of Health. All demonstrated elevated azithromycin minimum inhibitory concentrations (MICs) >256 μg/mL and elevated ceftriaxone MICs (≥0.125 μg/mL). Isolates were sent to the University of Washington and CDC for confirmatory agar dilution testing; sequence data were sent to CDC for analysis. All patients were interviewed and treated, and when possible, partners were interviewed, tested, and treated. All isolates had azithromycin MICs >16 µg/mL and 5 had ceftriaxone MICs = 0.125 µg/mL by agar dilution. All isolates were β-lactamase positive and were resistant to penicillin, tetracycline, and ciprofloxacin. Genomic analysis revealed genetic relatedness. No patients reported recent travel or antibiotic use, and no male patients reported male sex partners. All patients were successfully treated. This cluster of genetically related gonococcal isolates with decreased ceftriaxone susceptibility and high-level azithromycin resistance may bring the threat of treatment failure in the United States with the current recommended dual therapy one step closer. © The Author 2017. Published by Oxford University Press for the Infectious Diseases Society of America. All rights reserved. For permissions, e-mail: journals.permissions@oup.com.

  4. Detection of monohydroxylated polycyclic aromatic hydrocarbons in urine and particulate matter using LC separations coupled with integrated SPE and fluorescence detection or coupled with high-resolution time-of-flight mass spectrometry.

    Science.gov (United States)

    Lintelmann, Jutta; Wu, Xiao; Kuhn, Evelyn; Ritter, Sebastian; Schmidt, Claudia; Zimmermann, Ralf

    2018-05-01

    A high-performance liquid chromatographic (HPLC) method with integrated solid-phase extraction for the determination of 1-hydroxypyrene and 1-, 2-, 3-, 4- and 9-hydroxyphenanthrene in urine was developed and validated. After enzymatic treatment and centrifugation of 500 μL urine, 100 μL of the sample was directly injected into the HPLC system. Integrated solid-phase extraction was performed on a selective, copper phthalocyanine modified packing material. Subsequent chromatographic separation was achieved on a pentafluorophenyl core-shell column using a methanol gradient. For quantification, time-programmed fluorescence detection was used. Matrix-dependent recoveries were between 94.8 and 102.4%, repeatability and reproducibility ranged from 2.2 to 17.9% and detection limits lay between 2.6 and 13.6 ng/L urine. A set of 16 samples from normally exposed adults was analyzed using this HPLC-fluorescence detection method. Results were comparable with those reported in other studies. The chromatographic separation of the method was transferred to an ultra-high-performance liquid chromatography pentafluorophenyl core-shell column and coupled to a high-resolution time-of-flight mass spectrometer (HR-TOF-MS). The resulting method was used to demonstrate the applicability of LC-HR-TOF-MS for simultaneous target and suspect screening of monohydroxylated polycyclic aromatic hydrocarbons in extracts of urine and particulate matter. Copyright © 2018 John Wiley & Sons, Ltd.

  5. Sixfold ring clustering in sp2-dominated carbon and carbon nitride thin films: A Raman spectroscopy study

    International Nuclear Information System (INIS)

    Abrasonis, G.; Gago, R.; Vinnichenko, M.; Kreissig, U.; Kolitsch, A.; Moeller, W.

    2006-01-01

    The atomic arrangement in sp 2 -dominated carbon (C) and carbon nitride (CN x ) thin films has been studied by Raman spectroscopy as a function of substrate temperature and, in the case of CN x , different N incorporation routes (growth methods). In this way, materials composing graphitelike, fullerenelike (FL), and paracyanogenlike structures have been compared. The results show that each type of arrangement results in a characteristic set of the Raman spectra parameters, which describe the degree of aromatic clustering, bond length, and angle distortion and order in sixfold structures. In the case of C films, the atomic structure evolves with substrate temperature from a disordered network to nanocrystalline planar graphitic configurations, with a progressive promotion in size and ordering of sixfold ring clusters. Nitrogen incorporation favors the promotion of sixfold rings in highly disordered networks produced at low temperatures, but precludes the formation of extended graphiticlike clusters at elevated substrate temperatures (>700 K). In the latter case, N introduces a high degree of disorder in sixfold ring clusters and enhances the formation of a FL microstructure. The formation and growth of aromatic clusters are discussed in terms of substrate temperature, N incorporation, growth rate, film-forming sources, and concurrent bombardment by hyperthermal particles during growth

  6. Weighted Clustering

    DEFF Research Database (Denmark)

    Ackerman, Margareta; Ben-David, Shai; Branzei, Simina

    2012-01-01

    We investigate a natural generalization of the classical clustering problem, considering clustering tasks in which different instances may have different weights.We conduct the first extensive theoretical analysis on the influence of weighted data on standard clustering algorithms in both...... the partitional and hierarchical settings, characterizing the conditions under which algorithms react to weights. Extending a recent framework for clustering algorithm selection, we propose intuitive properties that would allow users to choose between clustering algorithms in the weighted setting and classify...

  7. LATENT CLUSTER ANALYSIS OF INSTRUCTIONAL PRACTICES REPORTED BY HIGH- AND LOW-PERFORMING MATHEMATICS TEACHERS IN FOUR COUNTRIES

    Directory of Open Access Journals (Sweden)

    Qiang Cheng

    2017-06-01

    Full Text Available Using Trends in International Mathematics and Science Study (TIMSS 2011 eighth-grade international dataset, this study explored the profiles of instructional practices reported by high- and low-performing mathematics teachers across the US, Finland, Korea, and Russia. Concepts of conceptual teaching and procedural teaching were used to frame the design of the current study. Latent cluster analysis was applied in the investigation of the profiles of mathematics teachers’ instructional practices across the four education systems. It was found that all mathematics teachers in the high- and low-performing groups used procedurally as well as conceptually oriented practices in their teaching. However, one group of high-performing mathematics teachers from the U.S. sample and all the high-performing teachers from Finland, Korea, and Russia showed more frequent use of conceptually oriented practices than their corresponding low-performing teachers. Another group of U.S. high-performing mathematics teachers showed a distinctive procedurally oriented pattern, which presented a rather different picture. Such results provide useful suggestions for practitioners and policy makers in their effort to improve mathematics teaching and learning in the US and in other countries as well.DOI: http://dx.doi.org/10.22342/jme.8.2.4066.115-132

  8. GLOBULAR CLUSTER ABUNDANCES FROM HIGH-RESOLUTION, INTEGRATED-LIGHT SPECTROSCOPY. IV. THE LARGE MAGELLANIC CLOUD: α, Fe-PEAK, LIGHT, AND HEAVY ELEMENTS

    International Nuclear Information System (INIS)

    Colucci, Janet E.; Bernstein, Rebecca A.; Cameron, Scott A.; McWilliam, Andrew

    2012-01-01

    We present detailed chemical abundances in eight clusters in the Large Magellanic Cloud (LMC). We measure abundances of 22 elements for clusters spanning a range in age of 0.05-12 Gyr, providing a comprehensive picture of the chemical enrichment and star formation history of the LMC. The abundances were obtained from individual absorption lines using a new method for analysis of high-resolution (R ∼ 25,000), integrated-light (IL) spectra of star clusters. This method was developed and presented in Papers I, II, and III of this series. In this paper, we develop an additional IL χ 2 -minimization spectral synthesis technique to facilitate measurement of weak (∼15 mÅ) spectral lines and abundances in low signal-to-noise ratio data (S/N ∼ 30). Additionally, we supplement the IL abundance measurements with detailed abundances that we measure for individual stars in the youngest clusters (age +0.5) and increases with decreasing age, indicating a strong contribution of low-metallicity asymptotic giant branch star ejecta to the interstellar medium throughout the later history of the LMC. We also find a correlation of IL Na and Al abundances with cluster mass in the sense that more massive, older clusters are enriched in the light elements Na and Al with respect to Fe, which implies that these clusters harbor star-to-star abundance variations as is common in the MW. Lower mass, intermediate-age, and young clusters have Na and Al abundances that are lower and more consistent with LMC field stars. Our results can be used to constrain both future chemical evolution models for the LMC and theories of globular cluster formation.

  9. Globular Cluster Abundances from High-resolution, Integrated-light Spectroscopy. IV. The Large Magellanic Cloud: α, Fe-peak, Light, and Heavy Elements

    Science.gov (United States)

    Colucci, Janet E.; Bernstein, Rebecca A.; Cameron, Scott A.; McWilliam, Andrew

    2012-02-01

    We present detailed chemical abundances in eight clusters in the Large Magellanic Cloud (LMC). We measure abundances of 22 elements for clusters spanning a range in age of 0.05-12 Gyr, providing a comprehensive picture of the chemical enrichment and star formation history of the LMC. The abundances were obtained from individual absorption lines using a new method for analysis of high-resolution (R ~ 25,000), integrated-light (IL) spectra of star clusters. This method was developed and presented in Papers I, II, and III of this series. In this paper, we develop an additional IL χ2-minimization spectral synthesis technique to facilitate measurement of weak (~15 mÅ) spectral lines and abundances in low signal-to-noise ratio data (S/N ~ 30). Additionally, we supplement the IL abundance measurements with detailed abundances that we measure for individual stars in the youngest clusters (age +0.5) and increases with decreasing age, indicating a strong contribution of low-metallicity asymptotic giant branch star ejecta to the interstellar medium throughout the later history of the LMC. We also find a correlation of IL Na and Al abundances with cluster mass in the sense that more massive, older clusters are enriched in the light elements Na and Al with respect to Fe, which implies that these clusters harbor star-to-star abundance variations as is common in the MW. Lower mass, intermediate-age, and young clusters have Na and Al abundances that are lower and more consistent with LMC field stars. Our results can be used to constrain both future chemical evolution models for the LMC and theories of globular cluster formation. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

  10. A Cluster-Randomized Trial of Restorative Practices: An Illustration to Spur High-Quality Research and Evaluation.

    Science.gov (United States)

    Acosta, Joie D; Chinman, Matthew; Ebener, Patricia; Phillips, Andrea; Xenakis, Lea; Malone, Patrick S

    2016-01-01

    Restorative Practices in schools lack rigorous evaluation studies. As an example of rigorous school-based research, this paper describes the first randomized control trial of restorative practices to date, the Study of Restorative Practices. It is a 5-year, cluster-randomized controlled trial (RCT) of the Restorative Practices Intervention (RPI) in 14 middle schools in Maine to assess whether RPI impacts both positive developmental outcomes and problem behaviors and whether the effects persist during the transition from middle to high school. The two-year RPI intervention began in the 2014-2015 school year. The study's rationale and theoretical concerns are discussed along with methodological concerns including teacher professional development. The theoretical rationale and description of the methods from this study may be useful to others conducting rigorous research and evaluation in this area.

  11. High GC Content Cas9-Mediated Genome-Editing and Biosynthetic Gene Cluster Activation in Saccharopolyspora erythraea.

    Science.gov (United States)

    Liu, Yong; Wei, Wen-Ping; Ye, Bang-Ce

    2018-05-18

    The overexpression of bacterial secondary metabolite biosynthetic enzymes is the basis for industrial overproducing strains. Genome editing tools can be used to further improve gene expression and yield. Saccharopolyspora erythraea produces erythromycin, which has extensive clinical applications. In this study, the CRISPR-Cas9 system was used to edit genes in the S. erythraea genome. A temperature-sensitive plasmid containing the PermE promoter, to drive Cas9 expression, and the Pj23119 and PkasO promoters, to drive sgRNAs, was designed. Erythromycin esterase, encoded by S. erythraea SACE_1765, inactivates erythromycin by hydrolyzing the macrolactone ring. Sequencing and qRT-PCR confirmed that reporter genes were successfully inserted into the SACE_1765 gene. Deletion of SACE_1765 in a high-producing strain resulted in a 12.7% increase in erythromycin levels. Subsequent PermE- egfp knock-in at the SACE_0712 locus resulted in an 80.3% increase in erythromycin production compared with that of wild type. Further investigation showed that PermE promoter knock-in activated the erythromycin biosynthetic gene clusters at the SACE_0712 locus. Additionally, deletion of indA (SACE_1229) using dual sgRNA targeting without markers increased the editing efficiency to 65%. In summary, we have successfully applied Cas9-based genome editing to a bacterial strain, S. erythraea, with a high GC content. This system has potential application for both genome-editing and biosynthetic gene cluster activation in Actinobacteria.

  12. High resolution measurements supported by electronic structure calculations of two naphthalene derivatives: [1,5]- and [1,6]-naphthyridine—Estimation of the zero point inertial defect for planar polycyclic aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gruet, S., E-mail: sebastien.gruet@synchrotron-soleil.fr, E-mail: manuel.goubet@univ-lille1.fr; Pirali, O. [AILES Beamline, Synchrotron SOLEIL, Saint-Aubin, 91192 Gif-sur-Yvette (France); Institut des Sciences Moléculaires d’Orsay, UMR 8214 CNRS – Université Paris Sud, 91405 Orsay Cedex (France); Goubet, M., E-mail: sebastien.gruet@synchrotron-soleil.fr, E-mail: manuel.goubet@univ-lille1.fr [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS – Université Lille 1, 59655 Villeneuve d’Ascq Cedex (France)

    2014-06-21

    Polycyclic aromatic hydrocarbons (PAHs) molecules are suspected to be present in the interstellar medium and to participate to the broad and unresolved emissions features, the so-called unidentified infrared bands. In the laboratory, very few studies report the rotationally resolved structure of such important class of molecules. In the present work, both experimental and theoretical approaches provide the first accurate determination of the rotational energy levels of two diazanaphthalene: [1,5]- and [1,6]-naphthyridine. [1,6]-naphthyridine has been studied at high resolution, in the microwave (MW) region using a Fourier transform microwave spectrometer and in the far-infrared (FIR) region using synchrotron-based Fourier transform spectroscopy. The very accurate set of ground state (GS) constants deduced from the analysis of the MW spectrum allowed the analysis of the most intense modes in the FIR (ν{sub 38}-GS centered at about 483 cm{sup −1} and ν{sub 34}-GS centered at about 842 cm{sup −1}). In contrast with [1,6]-naphthyridine, pure rotation spectroscopy of [1,5]-naphthyridine cannot be performed for symmetry reasons so the combined study of the two intense FIR modes (ν{sub 22}-GS centered at about 166 cm{sup −1} and ν{sub 18}-GS centered at about 818 cm{sup −1}) provided the GS and the excited states constants. Although the analysis of the very dense rotational patterns for such large molecules remains very challenging, relatively accurate anharmonic density functional theory calculations appeared as a highly relevant supporting tool to the analysis for both molecules. In addition, the good agreement between the experimental and calculated infrared spectrum shows that the present theoretical approach should provide useful data for the astrophysical models. Moreover, inertial defects calculated in the GS (Δ{sub GS}) of both molecules exhibit slightly negative values as previously observed for planar species of this molecular family. We adjusted

  13. Unsupervised consensus cluster analysis of [18F]-fluoroethyl-L-tyrosine positron emission tomography identified textural features for the diagnosis of pseudoprogression in high-grade glioma.

    Science.gov (United States)

    Kebir, Sied; Khurshid, Zain; Gaertner, Florian C; Essler, Markus; Hattingen, Elke; Fimmers, Rolf; Scheffler, Björn; Herrlinger, Ulrich; Bundschuh, Ralph A; Glas, Martin

    2017-01-31

    Timely detection of pseudoprogression (PSP) is crucial for the management of patients with high-grade glioma (HGG) but remains difficult. Textural features of O-(2-[18F]fluoroethyl)-L-tyrosine positron emission tomography (FET-PET) mirror tumor uptake heterogeneity; some of them may be associated with tumor progression. Fourteen patients with HGG and suspected of PSP underwent FET-PET imaging. A set of 19 conventional and textural FET-PET features were evaluated and subjected to unsupervised consensus clustering. The final diagnosis of true progression vs. PSP was based on follow-up MRI using RANO criteria. Three robust clusters have been identified based on 10 predominantly textural FET-PET features. None of the patients with PSP fell into cluster 2, which was associated with high values for textural FET-PET markers of uptake heterogeneity. Three out of 4 patients with PSP were assigned to cluster 3 that was largely associated with low values of textural FET-PET features. By comparison, tumor-to-normal brain ratio (TNRmax) at the optimal cutoff 2.1 was less predictive of PSP (negative predictive value 57% for detecting true progression, p=0.07 vs. 75% with cluster 3, p=0.04). Clustering based on textural O-(2-[18F]fluoroethyl)-L-tyrosine PET features may provide valuable information in assessing the elusive phenomenon of pseudoprogression.

  14. Evaluation and application of microwave-assisted extraction and dispersive liquid-liquid microextraction followed by high-performance liquid chromatography for the determination of polar heterocyclic aromatic amines in hamburger patties.

    Science.gov (United States)

    Aeenehvand, Saeed; Toudehrousta, Zahra; Kamankesh, Marzieh; Mashayekh, Morteza; Tavakoli, Hamid Reza; Mohammadi, Abdorreza

    2016-01-01

    This study developed an analytical method based on microwave-assisted extraction and dispersive liquid-liquid microextraction followed by high-performance liquid chromatography for the determination of three polar heterocyclic aromatic amines from hamburger patties. Effective parameters controlling the performance of the microextraction process, such as the type and volume of extraction and disperser solvents, microwave time, nature of alkaline aqueous solution, pH and salt amount, were optimized. The calibration graphs were linear in the range of 1-200 ng g(-1), with a coefficient of determination (R(2)) better than 0.9993. The relative standard deviations (RSD) for seven analyses were between 3.2% and 6.5%. The recoveries of those compounds in hamburger patties were from 90% to 105%. Detection limits were between 0.06 and 0.21 ng g(-1). A comparison of the proposed method with the existing literature demonstrates that it is a simple, rapid, highly selective and sensitive, and it gives good enrichment factors and detection limits for determining HAAs in real hamburger patties samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Interaction Networks: Generating High Level Hints Based on Network Community Clustering

    Science.gov (United States)

    Eagle, Michael; Johnson, Matthew; Barnes, Tiffany

    2012-01-01

    We introduce a novel data structure, the Interaction Network, for representing interaction-data from open problem solving environment tutors. We show how using network community detecting techniques are used to identify sub-goals in problems in a logic tutor. We then use those community structures to generate high level hints between sub-goals.…

  16. Finding and Visualizing Relevant Subspaces for Clustering High-Dimensional Astronomical Data Using Connected Morphological Operators

    NARCIS (Netherlands)

    Ferdosi, Bilkis J.; Buddelmeijer, Hugo; Trager, Scott; Wilkinson, Michael H.F.; Roerdink, Jos B.T.M.

    2010-01-01

    Data sets in astronomy are growing to enormous sizes. Modern astronomical surveys provide not only image data but also catalogues of millions of objects (stars, galaxies), each object with hundreds of associated parameters. Exploration of this very high-dimensional data space poses a huge challenge.

  17. Are There Academic CTE Cluster Pipelines? Linking High School CTE Coursetaking and Postsecondary Credentials

    Science.gov (United States)

    Plasman, Jay S.; Gottfried, Michael; Sublett, Cameron

    2017-01-01

    Career and technical education (CTE) has become a key focus of stakeholders across the political spectrum. It has been shown to be an effective means of promoting many desired outcomes, including increased chances of high school graduation, improved opportunities of enrolling in advanced math and science courses, and increased earnings after high…

  18. Cluster management.

    Science.gov (United States)

    Katz, R

    1992-11-01

    Cluster management is a management model that fosters decentralization of management, develops leadership potential of staff, and creates ownership of unit-based goals. Unlike shared governance models, there is no formal structure created by committees and it is less threatening for managers. There are two parts to the cluster management model. One is the formation of cluster groups, consisting of all staff and facilitated by a cluster leader. The cluster groups function for communication and problem-solving. The second part of the cluster management model is the creation of task forces. These task forces are designed to work on short-term goals, usually in response to solving one of the unit's goals. Sometimes the task forces are used for quality improvement or system problems. Clusters are groups of not more than five or six staff members, facilitated by a cluster leader. A cluster is made up of individuals who work the same shift. For example, people with job titles who work days would be in a cluster. There would be registered nurses, licensed practical nurses, nursing assistants, and unit clerks in the cluster. The cluster leader is chosen by the manager based on certain criteria and is trained for this specialized role. The concept of cluster management, criteria for choosing leaders, training for leaders, using cluster groups to solve quality improvement issues, and the learning process necessary for manager support are described.

  19. Global simulation of aromatic volatile organic compounds in the atmosphere

    Science.gov (United States)

    Cabrera Perez, David; Taraborrelli, Domenico; Pozzer, Andrea

    2015-04-01

    Among the large number of chemical compounds in the atmosphere, the organic group plays a key role in the tropospheric chemistry. Specifically the subgroup called aromatics is of great interest. Aromatics are the predominant trace gases in urban areas due to high emissions, primarily by vehicle exhausts and fuel evaporation. They are also present in areas where biofuel is used (i.e residential wood burning). Emissions of aromatic compounds are a substantial fraction of the total emissions of the volatile organic compounds (VOC). Impact of aromatics on human health is very important, as they do not only contribute to the ozone formation in the urban environment, but they are also highly toxic themselves, especially in the case of benzene which is able to trigger a range of illness under long exposure, and of nitro-phenols which cause detrimental for humans and vegetation even at very low concentrations. The aim of this work is to assess the atmospheric impacts of aromatic compounds on the global scale. The main goals are: lifetime and budget estimation, mixing ratios distribution, net effect on ozone production and OH loss for the most emitted aromatic compounds (benzene, toluene, xylenes, ethylbenzene, styrene and trimethylbenzenes). For this purpose, we use the numerical chemistry and climate simulation ECHAM/MESSy Atmospheric Chemistry (EMAC) model to build the global atmospheric budget for the most emitted and predominant aromatic compounds in the atmosphere. A set of emissions was prepared in order to include biomass burning, vegetation and anthropogenic sources of aromatics into the model. A chemical mechanism based on the Master Chemical Mechanism (MCM) was developed to describe the chemical oxidation in the gas phase of these aromatic compounds. MCM have been reduced in terms of number of chemical equation and species in order to make it affordable in a 3D model. Additionally other features have been added, for instance the production of HONO via ortho

  20. Analysis of high-altitude de-acclimatization syndrome after exposure to high altitudes: a cluster-randomized controlled trial.

    Science.gov (United States)

    He, Binfeng; Wang, Jianchun; Qian, Guisheng; Hu, Mingdong; Qu, Xinming; Wei, Zhenghua; Li, Jin; Chen, Yan; Chen, Huaping; Zhou, Qiquan; Wang, Guansong

    2013-01-01

    The syndrome of high-altitude de-acclimatization commonly takes place after long-term exposure to high altitudes upon return to low altitudes. The syndrome severely affects the returnee's quality of life. However, little attention has been paid to careful characterization of the syndrome and their underlying mechanisms. Male subjects from Chongqing (n = 67, 180 m) and Kunming (n = 70, 1800 m) visited a high-altitude area (3650 m) about 6 months and then returned to low-altitude. After they came back, all subjects were evaluated for high-altitude de-acclimatization syndrome on the 3(rd), 50(th), and 100(th). Symptom scores, routine blood and blood gas tests, and myocardial zymograms assay were used for observation their syndrome. The results showed that the incidence and severity of symptoms had decreased markedly on the 50(th) and 100(th) days, compared with the 3(rd) day. The symptom scores and incidence of different symptoms were lower among subjects returning to Kunming than among those returning to Chongqing. On the 3(rd) day, RBC, Hb, Hct, CK, CK-MB, and LDH values were significantly lower than values recorded at high altitudes, but they were higher than baseline values. On the 50(th) day, these values were not different from baseline values, but LDH levels did not return to baseline until the 100(th) day. These data show that, subjects who suffered high-altitude de-acclimatization syndrome, the recovery fully processes takes a long time (≥ 100(th) days). The appearance of the syndrome is found to be related to the changes in RBC, Hb, Hct, CK, CK-MB, and LDH levels, which should be caused by reoxygenation after hypoxia.

  1. Metal-free hydration of aromatic haloalkynes to α-halomethyl ketones

    KAUST Repository

    Ye, Min

    2016-10-01

    A highly regioselective and efficient metal-free hydration of aromatic haloalkynes to alpha-halomethyl ketones using cheap tetrafluoroboric acid as catalyst is described. The protocol is conducted under convenient conditions and affords products in good to excellent yields, with broad substrate scope, including a variety of aromatic alkynyl chlorides, alkynyl bromides, and alkynyl iodides. (C) 2016 Elsevier Ltd. All rights reserved.

  2. Metal-free hydration of aromatic haloalkynes to α-halomethyl ketones

    KAUST Repository

    Ye, Min; Wen, Yuelu; Li, Huifang; Fu, Yejuan; Wang, Qinghao

    2016-01-01

    A highly regioselective and efficient metal-free hydration of aromatic haloalkynes to alpha-halomethyl ketones using cheap tetrafluoroboric acid as catalyst is described. The protocol is conducted under convenient conditions and affords products in good to excellent yields, with broad substrate scope, including a variety of aromatic alkynyl chlorides, alkynyl bromides, and alkynyl iodides. (C) 2016 Elsevier Ltd. All rights reserved.

  3. From GPS tracks to context: Inference of high-level context information through spatial clustering

    OpenAIRE

    Moreira, Adriano; Santos, Maribel Yasmina

    2005-01-01

    Location-aware applications use the location of users to adapt their behaviour and to select the relevant information for users in a particular situation. This location information is obtained through a set of location sensors, or from network-based location services, and is often used directly, without any further processing, as a parameter in a selection process. In this paper we propose a method to infer high-level context information from a series of position records obtained from a GPS r...

  4. A highly efficient nano-cluster artificial peroxidase and its direct electrochemistry on a nano complex modified glassy carbon electrode.

    Science.gov (United States)

    Hong, Jun; Wang, Wei; Huang, Kun; Yang, Wei-Yun; Zhao, Ying-Xue; Xiao, Bao-Lin; Gao, Yun-Fei; Moosavi-Movahedi, Zainab; Ghourchian, Hedayatollah; Moosavi-Movahedi, Ali Akbar

    2012-01-01

    A nano-cluster with highly efficient peroxide activity was constructed based on nafion (NF) and cytochrome c (Cyt c). UV-Vis spectrometry and transmission electron microscopy (TEM) methods were utilized for characterization of the nano-structured enzyme or artificial peroxidase (AP). The nano-cluster was composed of a Chain-Ball structure, with an average ball size of about 40 nm. The Michaelis-Menten (K(m)) and catalytic rate (k(cat)) constants of the AP were determined to be 2.5 ± 0.4 µM and 0.069 ± 0.001 s(-1), respectively, in 50 mM PBS at pH 7.0. The catalytic efficiency of the AP was evaluated to be 0.028 ± 0.005 µM(-1) s(-1), which was 39 ± 5% as efficient as the native horseradish peroxidase (HRP). The AP was also immobilized on a functional multi-wall carbon nanotube (MWNCTs)-gold colloid nanoparticles (AuNPs) nano-complex modified glassy carbon (GC) electrode. The cyclic voltammetry of AP on the nano complex modified GC electrode showed a pair of well-defined redox peaks with a formal potential (E°') of -45 ± 2 mV (vs. Ag/AgCl) at a scan rate of 0.05 V/s. The heterogeneous electron transfer rate constant (k(s)) was evaluated to be 0.65 s(-1). The surface concentration of electroactive AP on GC electrode (Γ) was 7 × 10(-10) mol cm(-2). The apparent Michaelis-Menten constant (K(m)(app)) was 0.23 nM.

  5. Validation of a high-performance liquid chromatography/fluorescence detection method for the simultaneous quantification of fifteen polycyclic aromatic hydrocarbons

    DEFF Research Database (Denmark)

    Hansen, Åse Marie; Olsen, I L; Holst, E

    1991-01-01

    A high-performance liquid chromatography/fluorescence method using multiple wavelength shift for simultaneous quantification of different PAH compounds was developed. The new method was superior to the methods of DONG and GREENBERG [J. Liquid Chromatogr. 11, 1887-1905 (1988)] and WISE et al...... that no systematic errors, and only small unsystematic errors, could be demonstrated. Furthermore, the method had a good reproducibility and a high sensitivity....

  6. Versatile Rare Earth Hexanuclear Clusters for the Design and Synthesis of Highly-connected ftw-MOFs

    KAUST Repository

    Eddaoudi, Mohamed

    2015-04-15

    A series of highly porous MOFs were deliberately targeted to contain a 12-connected rare earth hexanuclear cluster and quadrangular tetracarboxylate ligands. The resultant MOFs have an underlying topology of ftw, (4, 12)-c ftw-MOFs. This targeted RE ftw-MOF platform offers potential to assess the effect of pore functionality and size, via ligand functionalization and/or expansion, on adsorption properties of relevant gases. Examination of gas adsorption properties of these compounds showed that the ftw-MOF-2 analogues, constructed from rigid ligands having a phenyl, a naphthyl or an anthracene core, exhibited a relatively high degree of porosity. The specific surface areas and pore volumes of these analogs are amongst the highest reported for rare earth based MOFs. Further studies reveal that Y-ftw-MOF-2 shows promising attributes as a storage media for methane (CH4) at high pressures. Furthermore, Y-ftw-MOF-2 shows potential as a separation agent for the selective removal of normal butane (n-C4H10) and propane (C3H8) from natural gas (NG) as well as interesting properties for the selective separation of n-C4H10 from C3H8 or isobutane (iso-C4H10).

  7. Intense deuterium nuclear fusion of pycnodeuterium-lumps coagulated locally within highly deuterated atom clusters

    CERN Document Server

    Yoshiaki, A; Zhang, Y C

    2002-01-01

    Embedded nano-Pd particles of 5 nm in size instantly abundant D-atoms more than 250% in the atomic ratio against Pd-atoms at room temperature when they are kept in D sub 2 gas pressurized to less than 10 atm. In such ultrahigh densities, 2-4 D-atoms can be coagulated inside each octahedral space of Pd lattice (pycnodeuterium-lump). When a stimulation energy such as latticequake causing by ultrasonic wave was supplied to those highly deuterated Pd particles, intense deuterium nuclear fusion (''solid fusion'') was generated there and both excess heat and sup 4 He gas were abundantly produced. Naturally, these facts can not be realized at all in bulk Pd. The results show that the nuclear fusion occurs without any hazardous rays in pycnodeuterium-lumps coagulated locally inside the each cell of the host metal lattice. These unit cells correspond to minimum unit of the solid fusion reactor as a ''Lattice Reactor''. (author)

  8. Metallic oxide nano-clusters synthesis by ion implantation in high purity Fe10Cr alloy

    International Nuclear Information System (INIS)

    Zheng, Ce

    2015-01-01

    ODS (Oxide Dispersed Strengthened) steels, which are reinforced with metal dispersions of nano-oxides (based on Y, Ti and O elements), are promising materials for future nuclear reactors. The detailed understanding of the mechanisms involved in the precipitation of these nano-oxides would improve manufacturing and mechanical properties of these ODS steels, with a strong economic impact for their industrialization. To experimentally study these mechanisms, an analytical approach by ion implantation is used, to control various parameters of synthesis of these precipitates as the temperature and concentration. This study demonstrated the feasibility of this method and concerned the behaviour of alloys models (based on aluminium oxide) under thermal annealing. High purity Fe-10Cr alloys were implanted with Al and O ions at room temperature. Transmission electron microscopy observations showed that the nano-oxides appear in the Fe-10Cr matrix upon ion implantation at room temperature without subsequent annealing. The mobility of implanted elements is caused by the defects created during ion implantation, allowing the nucleation of these nanoparticles, of a few nm in diameter. These nanoparticles are composed of aluminium and oxygen, and also chromium. The high-resolution experiments show that their crystallographic structure is that of a non-equilibrium compound of aluminium oxide (cubic γ-Al 2 O 3 type). The heat treatment performed after implantation induces the growth of the nano-sized oxides, and a phase change that tends to balance to the equilibrium structure (hexagonal α-Al 2 O 3 type). These results on model alloys are fully applicable to industrial materials: indeed ion implantation reproduces the conditions of milling and heat treatments are at equivalent temperatures to those of thermo-mechanical treatments. A mechanism involving the precipitation of nano-oxide dispersed in ODS alloys is proposed in this manuscript based on the obtained experimental results

  9. Isotopic clusters

    International Nuclear Information System (INIS)

    Geraedts, J.M.P.

    1983-01-01

    Spectra of isotopically mixed clusters (dimers of SF 6 ) are calculated as well as transition frequencies. The result leads to speculations about the suitability of the laser-cluster fragmentation process for isotope separation. (Auth.)

  10. Cluster Headache

    Science.gov (United States)

    ... a role. Unlike migraine and tension headache, cluster headache generally isn't associated with triggers, such as foods, hormonal changes or stress. Once a cluster period begins, however, drinking alcohol ...

  11. Synthesis of highly fluorescent and thio-linkers stabilize gold quantum dots and nano clusters in DMF for bio-labeling

    Energy Technology Data Exchange (ETDEWEB)

    Rastogi, Shiva K., E-mail: srastogi@uidaho.edu [University of Idaho, Department of Chemistry (United States); Denn, Benjamin D.; Branen, A. Larry [University of Idaho, Coeur D' Alene, Biosensors and Nanotechnology Application Laboratory (BNAL) (United States)

    2012-01-15

    This study demonstrates a one versus two-step synthesis of fluorescent gold quantum dots (F-AuQDs) and nano clusters (F-AuNCs) functionalized with thiolated organic linkers using reduction of gold precursor in N,N Prime -dimethylformamide in 1 h of reaction. The F-AuQDs and F-AuNCs show fluorescence emission at 425 {+-} 5 nm upon excitation at 345 {+-} 5 nm of wavelength, with good water solubility and stability. Five different thiolated organic binary linkers consisting of various functional groups including: carboxylic acid, hydroxyl, and aromatic amine, were conjugated with the F-AuQDs and F-AuNCs. The formation mechanism and functionalization of the F-AuQDs and F-AuNCs was characterized using UV-vis absorption spectra, UV-vis light, fluorescent emission spectra, pH, TEM, and FTIR. The fluorescence emission of the F-AuQDs and F-AuNCs is greatly dependent on the thio-linker. This novel one-step approach provides facile and fast synthesis of F-AuQDs and F-AuNCs over the two-step method, with less than 5 h of reaction and workup compared to more than 28 h of reaction for the two-step approach. These thio-linker functionalized F-AuQDs and F-AuNCs have a wide application in fluorescent labeling of biomolecules, optical devices, imaging, energy transfer, and biosensing.

  12. Cluster Headache

    OpenAIRE

    Pearce, Iris

    1985-01-01

    Cluster headache is the most severe primary headache with recurrent pain attacks described as worse than giving birth. The aim of this paper was to make an overview of current knowledge on cluster headache with a focus on pathophysiology and treatment. This paper presents hypotheses of cluster headache pathophysiology, current treatment options and possible future therapy approaches. For years, the hypothalamus was regarded as the key structure in cluster headache, but is now thought to be pa...

  13. Categorias Cluster

    OpenAIRE

    Queiroz, Dayane Andrade

    2015-01-01

    Neste trabalho apresentamos as categorias cluster, que foram introduzidas por Aslak Bakke Buan, Robert Marsh, Markus Reineke, Idun Reiten e Gordana Todorov, com o objetivo de categoriíicar as algebras cluster criadas em 2002 por Sergey Fomin e Andrei Zelevinsky. Os autores acima, em [4], mostraram que existe uma estreita relação entre algebras cluster e categorias cluster para quivers cujo grafo subjacente é um diagrama de Dynkin. Para isto desenvolveram uma teoria tilting na estrutura triang...

  14. Two-particle excitations in the Hubbard model for high-temperature superconductors. A quantum cluster study

    International Nuclear Information System (INIS)

    Brehm, Sascha

    2009-01-01

    Two-particle excitations, such as spin and charge excitations, play a key role in high-T c cuprate superconductors (HTSC). Due to the antiferromagnetism of the parent compound the magnetic excitations are supposed to be directly related to the mechanism of superconductivity. In particular, the so-called resonance mode is a promising candidate for the pairing glue, a bosonic excitation mediating the electronic pairing. In addition, its interactions with itinerant electrons may be responsible for some of the observed properties of HTSC. Hence, getting to the bottom of the resonance mode is crucial for a deeper understanding of the cuprate materials. To analyze the corresponding two-particle correlation functions we develop in the present thesis a new, non-perturbative and parameter-free technique for T=0 which is based on the Variational Cluster Approach (VCA, an embedded cluster method for one-particle Green's functions). Guided by the spirit of the VCA we extract an effective electron-hole vertex from an isolated cluster and use a fully renormalized bubble susceptibility χ 0 including the VCA one-particle propagators. Within our new approach, the magnetic excitations of HTSC are shown to be reproduced for the Hubbard model within the relevant strong-coupling regime. Exceptionally, the famous resonance mode occurring in the underdoped regime within the superconductivity-induced gap of spin-flip electron-hole excitations is obtained. Its intensity and hourglass dispersion are in good overall agreement with experiments. Furthermore, characteristic features such as the position in energy of the resonance mode and the difference of the imaginary part of the susceptibility in the superconducting and the normal states are in accord with Inelastic Neutron Scattering (INS) experiments. For the first time, a strongly-correlated parameter-free calculation revealed these salient magnetic properties supporting the S=1 magnetic exciton scenario for the resonance mode. Besides

  15. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, Jr., Lawrence A.

    1989-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  16. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  17. 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......-reducing conditions, toluene was easily biodegraded. The xylenes and ethylbenzene were degraded cometabolically if toluene was used as a primary carbon source; their removal was influenced by competitive inhibition with toluene. These interaction phenomena are discussed in this paper and a kinetic model taking...

  18. Analysis of Nitro-aromatic and Nitramine Explosives by Atmospheric Pressure Chemical Ionization / High Performance Liquid Chromatography / Mass Spectrometry / Mass Spectrometry

    International Nuclear Information System (INIS)

    Hicks, B.J.; Han, W.; Robben, J.R.

    2009-01-01

    This procedure is capable of separating and quantifying twenty-nine high explosives and internal surrogates with a single injection. After the initial preparation step, the sample is introduced to the high performance liquid chromatograph for target separation, ionized by atmospheric pressure chemical ionization and the explosives of interest are isolated / quantified by mass spectrometry / mass spectrometry. Concentrations of the target explosives are measured relative to the response of both internal and external standard concentrations. A C-18 reverse phase high performance liquid chromatograph column is used for separation. Ionization is performed using both positive and negative atmospheric pressure chemical ionization resulting in a molecular ion with little fragmentation. These ions are isolated at the first quadrupole of the mass spectrometer, dissociated by collision with argon in the collision cell and the resulting daughter ions are isolated at the second quadrupole. These daughter ions then reach the detector where they are quantified. To date this procedure represents the most thorough high performance liquid chromatography / mass spectrometry / mass spectrometry explosives analysis available in the environmental chemistry market. (authors)

  19. Meaningful Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Sanfilippo, Antonio P.; Calapristi, Augustin J.; Crow, Vernon L.; Hetzler, Elizabeth G.; Turner, Alan E.

    2004-05-26

    We present an approach to the disambiguation of cluster labels that capitalizes on the notion of semantic similarity to assign WordNet senses to cluster labels. The approach provides interesting insights on how document clustering can provide the basis for developing a novel approach to word sense disambiguation.

  20. Horticultural cluster

    OpenAIRE

    SHERSTIUK S.V.; POSYLAYEVA K.I.

    2013-01-01

    In the article there are the theoretical and methodological approaches to the nature and existence of the cluster. The cluster differences from other kinds of cooperative and integration associations. Was develop by scientific-practical recommendations for forming a competitive horticultur cluster.

  1. Bicyclic Baird-type aromaticity

    Science.gov (United States)

    Cha, Won-Young; Kim, Taeyeon; Ghosh, Arindam; Zhang, Zhan; Ke, Xian-Sheng; Ali, Rashid; Lynch, Vincent M.; Jung, Jieun; Kim, Woojae; Lee, Sangsu; Fukuzumi, Shunichi; Park, Jung Su; Sessler, Jonathan L.; Chandrashekar, Tavarekere K.; Kim, Dongho

    2017-12-01

    Classic formulations of aromaticity have long been associated with topologically planar conjugated macrocyclic systems. The theoretical possibility of so-called bicycloaromaticity was noted early on. However, it has yet to be demonstrated by experiment in a simple synthetic organic molecule. Conjugated organic systems are attractive for studying the effect of structure on electronic features. This is because, in principle, they can be modified readily through dedicated synthesis. As such, they can provide useful frameworks for testing by experiment with fundamental insights provided by theory. Here we detail the synthesis and characterization of two purely organic non-planar dithienothiophene-bridged [34]octaphyrins that permit access to two different aromatic forms as a function of the oxidation state. In their neutral forms, these congeneric systems contain competing 26 and 34 π-electronic circuits. When subject to two-electron oxidation, electronically mixed [4n+1]/[4n+1] triplet biradical species in the ground state are obtained that display global aromaticity in accord with Baird's rule.

  2. Clustered Regularly Interspaced Short Palindromic Repeats Are emm Type-Specific in Highly Prevalent Group A Streptococci.

    Science.gov (United States)

    Zheng, Po-Xing; Chan, Yuen-Chi; Chiou, Chien-Shun; Chiang-Ni, Chuan; Wang, Shu-Ying; Tsai, Pei-Jane; Chuang, Woei-Jer; Lin, Yee-Shin; Liu, Ching-Chuan; Wu, Jiunn-Jong

    2015-01-01

    Clustered regularly interspaced short palindromic repeats (CRISPR) are the bacterial adaptive immune system against foreign nucleic acids. Given the variable nature of CRISPR, it could be a good marker for molecular epidemiology. Group A streptococcus is one of the major human pathogens. It has two CRISPR loci, including CRISPR01 and CRISPR02. The aim of this study was to analyze the distribution of CRISPR-associated gene cassettes (cas) and CRISPR arrays in highly prevalent emm types. The cas cassette and CRISPR array in two CRISPR loci were analyzed in a total of 332 strains, including emm1, emm3, emm4, emm12, and emm28 strains. The CRISPR type was defined by the spacer content of each CRISPR array. All strains had at least one cas cassette or CRISPR array. More than 90% of the spacers were found in one emm type, specifically. Comparing the consistency between emm and CRISPR types by Simpson's index of diversity and the adjusted Wallace coefficient, CRISPR01 type was concordant to emm type, and CRISPR02 showed unidirectional congruence to emm type, suggesting that at least for the majority of isolates causing infection in high income countries, the emm type can be inferred from CRISPR analysis, which can further discriminate isolates sharing the same emm type.

  3. Interhemispheric differences and solar cycle effects of the high-latitude ionospheric convection patterns deduced from Cluster EDI observations

    Science.gov (United States)

    Förster, Matthias; Haaland, Stein

    2015-04-01

    Here, we present a study of ionospheric convection at high latitudes that is based on satellite measurements of the Electron Drift Instrument (EDI) on-board the Cluster satellites, which were obtained over a full solar cycle (2001-2013). The mapped drift measurements are covering both hemispheres and a variety of different solar wind and interplanetary magnetic field (IMF) conditions. The large amount of data allows us to perform more detailed statistical studies. We show that flow patterns and polar cap potentials can differ between the two hemispheres on statistical average for a given IMF orientation. In particular, during southward directed IMF conditions, and thus enhanced energy input from the solar wind, we find that the southern polar cap has a higher cross polar cap potential. We also find persistent north-south asymmetries which cannot be explained by external drivers alone. Much of these asymmetries can probably be explained by significant differences in the strength and configuration of the geomagnetic field between the Northern and Southern Hemisphere. Since the ionosphere is magnetically connected to the magnetosphere, this difference will also be reflected in the magnetosphere in the form of different feedback from the two hemispheres. Consequently, local ionospheric conditions and the geomagnetic field configuration are important for north-south asymmetries in large regions of geospace. The average convection is higher during periods with high solar activity. Although local ionospheric conditions may play a role, we mainly attribute this to higher geomagnetic activity due to enhanced solar wind - magnetosphere interactions.

  4. Flexible fault ride through strategy for wind farm clusters in power systems with high wind power penetration

    International Nuclear Information System (INIS)

    Wang, Songyan; Chen, Ning; Yu, Daren; Foley, Aoife; Zhu, Lingzhi; Li, Kang; Yu, Jilai

    2015-01-01

    Highlights: • A flexible fault ride through strategy is proposed. • The strategy comprises of grid code requirements and power restrictions. • Slight faults and moderate faults are the main defending objectives. • Temporary overloading capability of the doubly fed induction generator is considered. - Abstract: This paper investigates a flexible fault ride through strategy for power systems in China with high wind power penetration. The strategy comprises of adaptive fault ride through requirements and maximum power restrictions of the wind farms with weak fault ride through capabilities. The slight faults and moderate faults with high probability are the main defending objective of the strategy. The adaptive fault ride through requirement in the strategy consists of two sub fault ride through requirements, a temporary slight voltage ride through requirement corresponding to a slight fault incident, with a moderate voltage ride through requirement corresponding to a moderate fault. The temporary overloading capability of the wind farm is reflected in both requirements to enhance the capability to defend slight faults and to avoid tripping when the crowbar is disconnected after moderate faults are cleared. For those wind farms that cannot meet the adaptive fault ride through requirement, restrictions are put on the maximum power output. Simulation results show that the flexible fault ride through strategy increases the fault ride through capability of the wind farm clusters and reduces the wind power curtailment during faults

  5. Evolution of Late-type Galaxies in a Cluster Environment: Effects of High-speed Multiple Encounters with Early-type Galaxies

    Science.gov (United States)

    Hwang, Jeong-Sun; Park, Changbom; Banerjee, Arunima; Hwang, Ho Seong

    2018-04-01

    Late-type galaxies falling into a cluster would evolve being influenced by the interactions with both the cluster and the nearby cluster member galaxies. Most numerical studies, however, tend to focus on the effects of the former with little work done on those of the latter. We thus perform a numerical study on the evolution of a late-type galaxy interacting with neighboring early-type galaxies at high speed using hydrodynamic simulations. Based on the information obtained from the Coma cluster, we set up the simulations for the case where a Milky Way–like late-type galaxy experiences six consecutive collisions with twice as massive early-type galaxies having hot gas in their halos at the closest approach distances of 15–65 h ‑1 kpc at the relative velocities of 1500–1600 km s‑1. Our simulations show that the evolution of the late-type galaxy can be significantly affected by the accumulated effects of the high-speed multiple collisions with the early-type galaxies, such as on cold gas content and star formation activity of the late-type galaxy, particularly through the hydrodynamic interactions between cold disk and hot gas halos. We find that the late-type galaxy can lose most of its cold gas after the six collisions and have more star formation activity during the collis