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Sample records for chemical substructure analysis

  1. Chemical substructure analysis in toxicology

    Energy Technology Data Exchange (ETDEWEB)

    Beauchamp, R.O. Jr. [Center for Information on Toxicology and Environment, Raleigh, NC (United States)

    1990-12-31

    A preliminary examination of chemical-substructure analysis (CSA) demonstrates the effective use of the Chemical Abstracts compound connectivity file in conjunction with the bibliographic file for relating chemical structures to biological activity. The importance of considering the role of metabolic intermediates under a variety of conditions is illustrated, suggesting structures that should be examined that may exhibit potential activity. This CSA technique, which utilizes existing large files accessible with online personal computers, is recommended for use as another tool in examining chemicals in drugs. 2 refs., 4 figs.

  2. Substructure mining using elaborate chemical representation.

    Science.gov (United States)

    Kazius, Jeroen; Nijssen, Siegfried; Kok, Joost; Bäck, Thomas; Ijzerman, Adriaan P

    2006-01-01

    Substructure mining algorithms are important drug discovery tools since they can find substructures that affect physicochemical and biological properties. Current methods, however, only consider a part of all chemical information that is present within a data set of compounds. Therefore, the overall aim of our study was to enable more exhaustive data mining by designing methods that detect all substructures of any size, shape, and level of chemical detail. A means of chemical representation was developed that uses atomic hierarchies, thus enabling substructure mining to consider general and/or highly specific features. As a proof-of-concept, the efficient, multipurpose graph mining system Gaston learned substructures of any size and shape from a mutagenicity data set that was represented in this manner. From these substructures, we extracted a set of only six nonredundant, discriminative substructures that represent relevant biochemical knowledge. Our results demonstrate the individual and synergistic importance of elaborate chemical representation and mining for nonlinear substructures. We conclude that the combination of elaborate chemical representation and Gaston provides an excellent method for 2D substructure mining as this recipe systematically explores all substructures in different levels of chemical detail.

  3. Chemical substructure search in SQL.

    Science.gov (United States)

    Golovin, Adel; Henrick, Kim

    2009-01-01

    We present a novel technique for a fast chemical substructure search on a relational database by use of a standard SQL query. The symmetry of a query graph is analyzed to give additional constraints. Our method is based on breadth-first search (BFS) algorithms implementation using Relational Database Management Systems (RDBMS). In addition to the chemical search we apply our technique to the field of intermolecular interactions which involves nonplanar graphs and describe how to achieve linear time performance along with the suggestion on how to sufficiently reduce the linear coefficient. From the algorithms theory perspective these results mean that subgraph isomorphism is a polynomial time problem, hence equal problems have the same complexity. The application to subgraph isomorphism in chemical search is available at http://www.ebi.ac.uk/msd-srv/chemsearch and http://www.ebi.ac.uk/msd-srv/msdmotif/chem . The application to the network of molecule interactions is available at http://www.ebi.ac.uk/msd-srv/msdmotif .

  4. Validation of metabolic pathway databases based on chemical substructure search.

    Science.gov (United States)

    Félix, Liliana; Valiente, Gabriel

    2007-09-01

    Metabolic pathway databases such as KEGG contain information on thousands of biochemical reactions drawn from the biomedical literature. Ensuring consistency of such large metabolic pathways is essential to their proper use. In this paper, we present a new method to determine consistency of an important class of biochemical reactions. Our method exploits the knowledge of the atomic rearrangement pattern in biochemical reactions, to reduce the automatic atom mapping problem to a series of chemical substructure searches between the substrate and the product of a biochemical reaction. As an illustrative application, we describe the exhaustive validation of a substantial portion from the latest release of the KEGG LIGAND database.

  5. Efficient substructure searching of large chemical libraries: the ABCD chemical cartridge.

    Science.gov (United States)

    Agrafiotis, Dimitris K; Lobanov, Victor S; Shemanarev, Maxim; Rassokhin, Dmitrii N; Izrailev, Sergei; Jaeger, Edward P; Alex, Simson; Farnum, Michael

    2011-12-27

    Efficient substructure searching is a key requirement for any chemical information management system. In this paper, we describe the substructure search capabilities of ABCD, an integrated drug discovery informatics platform developed at Johnson & Johnson Pharmaceutical Research & Development, L.L.C. The solution consists of several algorithmic components: 1) a pattern mapping algorithm for solving the subgraph isomorphism problem, 2) an indexing scheme that enables very fast substructure searches on large structure files, 3) the incorporation of that indexing scheme into an Oracle cartridge to enable querying large relational databases through SQL, and 4) a cost estimation scheme that allows the Oracle cost-based optimizer to generate a good execution plan when a substructure search is combined with additional constraints in a single SQL query. The algorithm was tested on a public database comprising nearly 1 million molecules using 4,629 substructure queries, the vast majority of which were submitted by discovery scientists over the last 2.5 years of user acceptance testing of ABCD. 80.7% of these queries were completed in less than a second and 96.8% in less than ten seconds on a single CPU, while on eight processing cores these numbers increased to 93.2% and 99.7%, respectively. The slower queries involved extremely generic patterns that returned the entire database as screening hits and required extensive atom-by-atom verification.

  6. Analysis of substructural variation in families of enzymatic proteins with applications to protein function prediction

    Directory of Open Access Journals (Sweden)

    Fofanov Viacheslav Y

    2010-05-01

    Full Text Available Abstract Background Structural variations caused by a wide range of physico-chemical and biological sources directly influence the function of a protein. For enzymatic proteins, the structure and chemistry of the catalytic binding site residues can be loosely defined as a substructure of the protein. Comparative analysis of drug-receptor substructures across and within species has been used for lead evaluation. Substructure-level similarity between the binding sites of functionally similar proteins has also been used to identify instances of convergent evolution among proteins. In functionally homologous protein families, shared chemistry and geometry at catalytic sites provide a common, local point of comparison among proteins that may differ significantly at the sequence, fold, or domain topology levels. Results This paper describes two key results that can be used separately or in combination for protein function analysis. The Family-wise Analysis of SubStructural Templates (FASST method uses all-against-all substructure comparison to determine Substructural Clusters (SCs. SCs characterize the binding site substructural variation within a protein family. In this paper we focus on examples of automatically determined SCs that can be linked to phylogenetic distance between family members, segregation by conformation, and organization by homology among convergent protein lineages. The Motif Ensemble Statistical Hypothesis (MESH framework constructs a representative motif for each protein cluster among the SCs determined by FASST to build motif ensembles that are shown through a series of function prediction experiments to improve the function prediction power of existing motifs. Conclusions FASST contributes a critical feedback and assessment step to existing binding site substructure identification methods and can be used for the thorough investigation of structure-function relationships. The application of MESH allows for an automated

  7. Design and Analysis of Jacket Substructures for Offshore Wind Turbines

    Directory of Open Access Journals (Sweden)

    I-Wen Chen

    2016-04-01

    Full Text Available This study focused on investigating various existing types of offshore jacket substructures along with a proposed twisted-tripod jacket type (modified jacket (MJ-structures. The architectures of the three-leg structure, as well as the patented twisted jacket structure motivated the design of the proposed MJ-structures. The dimensions of the structures were designed iteratively using static stress analysis to ensure that all structures had a similar level of load-carrying capability. The numerical global buckling analyses were performed for all structures after the validation by the scaled-down experiments. The local buckling strength of all compressive members was analyzed using the NORSOK standard. The results showed that the proposed MJ-structures possess excellent structural behavior and few structural nodes and components competitive with the patented twisted jacket structures, while still maintaining the advantages of low material usage similar to the three-leg jacket structures. This study provides alternatives for the initial selection and design of offshore wind turbine substructures for green energy applications.

  8. Chemical etching of deformation sub-structures in quartz

    Science.gov (United States)

    Wegner, M. W.; Christie, J. M.

    1983-02-01

    Chemical etching of dislocations has been studied in natural and synthetic quartz single crystals, in deformed synthetic quartz and in naturally and experimentally deformed quartzites. The ability of different etchants to produce polished or preferentially etched surfaces on quartz is described. Dislocation etching was achieved on all crystal planes examined by using a saturated solution of ammonium bifluoride as the etchant. Appropriate etching times were determined for etching quartzites for grain size, subgrain boundaries, deformation lamellae, dislocations and twins. Growth and polished surfaces of synthetic single crystal quartz were similarly etched and dislocation etch pits, characteristic of various orientations were found. The use of ammonium bifluoride proved to be expecially advantageous for the basal plane, producing a polished surface with etch pits, suitable for dislocation etch pit counting. “Double” etch pits have been found on Dauphiné twin boundaries on the basal plane and the first order prism, using this etchant. Slip lines and deformation bands were suitably etched on deformed synthetic crystal surfaces for identification of the slip planes. Other acidic etchants have been explored and their application to the study of deformation structures in quartz crystals is discussed.

  9. Chemical composition of stars in kinematical substructures of the galactic disk

    Directory of Open Access Journals (Sweden)

    Gorbaneva T.I.

    2012-02-01

    Full Text Available The Y, Zr, La, Ce, Nd , Sm and Eu abundances were found in LTE approach, and the abundance of Ba was computed in NLTE approximation for 280 FGK dwarfs in the region of metallicity of − 1<[Fe]< + 0.3. The selection of stars belonging to thin and thick disks and the stream Hercules was made on kinematic criteria. The analysis of enrichment of the different substructures of the Galaxy with α-element (Mg, Si, the iron peak (Ni and neutron-capture elements was carried out.

  10. Substructure method of soil-structure interaction analysis for earthquake loadings

    Energy Technology Data Exchange (ETDEWEB)

    Park, H. G.; Joe, Y. H. [Industrial Development Research Center, Univ. of Incheon, Incheon (Korea, Republic of)

    1997-07-15

    Substructure method has been preferably adopted for soil-structure interaction analysis because of its simplicity and economy in practical application. However, substructure method has some limitation in application and does not always give reliable results especially for embedded structures or layered soil conditions. The objective of this study to validate the reliability of the soil-structure interaction analysis results by the proposed substructure method using lumped-parameter model and suggest a method of seismic design of nuclear power plant structures with specific design conditions. In this study, theoretic background and modeling technique of soil-structure interaction phenomenon have been reviewed and an analysis technique based on substructure method using lumped-parameter model has been suggested. The practicality and reliability of the proposed method have been validated through the application of the method to the seismic analysis of the large-scale seismic test models. A technical guide for practical application and evaluation of the proposed method have been also provided through the various type parametric.

  11. Automatic identification of mobile and rigid substructures in molecular dynamics simulations and fractional structural fluctuation analysis.

    Directory of Open Access Journals (Sweden)

    Leandro Martínez

    Full Text Available The analysis of structural mobility in molecular dynamics plays a key role in data interpretation, particularly in the simulation of biomolecules. The most common mobility measures computed from simulations are the Root Mean Square Deviation (RMSD and Root Mean Square Fluctuations (RMSF of the structures. These are computed after the alignment of atomic coordinates in each trajectory step to a reference structure. This rigid-body alignment is not robust, in the sense that if a small portion of the structure is highly mobile, the RMSD and RMSF increase for all atoms, resulting possibly in poor quantification of the structural fluctuations and, often, to overlooking important fluctuations associated to biological function. The motivation of this work is to provide a robust measure of structural mobility that is practical, and easy to interpret. We propose a Low-Order-Value-Optimization (LOVO strategy for the robust alignment of the least mobile substructures in a simulation. These substructures are automatically identified by the method. The algorithm consists of the iterative superposition of the fraction of structure displaying the smallest displacements. Therefore, the least mobile substructures are identified, providing a clearer picture of the overall structural fluctuations. Examples are given to illustrate the interpretative advantages of this strategy. The software for performing the alignments was named MDLovoFit and it is available as free-software at: http://leandro.iqm.unicamp.br/mdlovofit.

  12. Study of Jet Substructure in the ATLAS Experiment using Distributed Analysis within Spanish Tier-2 infrastructures

    OpenAIRE

    Oliver García, Elena

    2013-01-01

    Study of Jet Substructure in the ATLAS experiment using Distributed Analysis within Spanish Tier-2 Infrastructures (Estudio de Subestructura de Jets en el experimento ATLAS usando Análisis Distribuido dentro de las Infraestructuras del Tier-2 Español) Resumen en español 1. Motivación En el Large Hadron Collider (LHC) se producen partículas consideradas objetos ‘boosted’ donde sus productos de desintegración se concentran en una pequeña parte del detector. El estudio de estos ...

  13. Dynamic Analysis of Jacket Substructure for Offshore Wind Turbine Generators under Extreme Environmental Conditions

    Directory of Open Access Journals (Sweden)

    Wen-Jeng Lai

    2016-10-01

    Full Text Available In order to develop dynamic analysis technologies regarding the design of offshore wind turbine generators (OWTGs, a special project called Offshore Code Comparison Collaboration Continuation (OC4 was conducted by IEA (International Energy Agency in 2010. A similar project named INER-OC4 has been performed by the Institute of Nuclear Energy Research (INER to develop the OWTG technologies of Taiwan. Since the jacket substructure will be applied to Taiwan OWTGs before 2020, the INER-OC4 project has been devoted to the design and analysis of jacket support structure. In this work, the preliminary result of INER-OC4 is presented. A simplified analysis procedure for jacket support structure has been proposed. Both of the NREL (National Renewable Energy Laboratory 5 MW OWTG FAST model and OC4 jacket substructure model have been built and analyzed under severe design load cases (DLCs of IEC (International Electrotechnical commission 61400-3. Simulation results of six severe DLCs are performed in this work and the results are in agreement with the requirements of API (American Petroleum Institute and NORSOK (Norwegian Petroleum Industry standards.

  14. CLUMPY: Jeans analysis, $\\gamma$-ray and neutrino fluxes from dark matter (sub-)structures

    CERN Document Server

    Bonnivard, Vincent; Nezri, Emmanuel; Charbonnier, Aldée; Combet, Céline; Maurin, David

    2015-01-01

    We present an update of the CLUMPY code for the calculation of the astrophysical J-factors (from dark matter annihilation/decay) for any Galactic or extragalactic dark matter halo including substructures: the concentration-mass relationship may now be drawn from a distribution, boost factors can include several levels of substructures, and triaxiality is a new option for dark matter haloes. This new version takes advantage of the cfitsio and HEALPix libraries to propose FITS output maps using the HEALPix pixelisation scheme. Skymaps for $\\gamma$-ray and neutrino signals from generic annihilation/decay spectra are now direct outputs of CLUMPY. Smoothing by a user-defined instrumental Gaussian beam is also possible. In addition to these improvements, the main novelty is the implementation of a Jeans analysis module, to obtain dark matter density profiles from kinematic data in relaxed spherical systems (e.g., dwarf spheroidal galaxies). The code is also interfaced with the GreAT toolkit designed for Markov Chai...

  15. Chemical Abundances of Planetary Nebulae in the Substructures of M31

    CERN Document Server

    Fang, Xuan; Guerrero, Martin A; Liu, Xiaowei; Yuan, Haibo; Zhang, Yong; Zhang, Bing

    2015-01-01

    We present deep spectroscopy of planetary nebulae (PNe) that are associated with the substructures of the Andromeda Galaxy (M31). The spectra were obtained with the OSIRIS spectrograph on the 10.4 m GTC. Seven targets were selected for the observations, three in the Northern Spur and four associated with the Giant Stream. The most distant target in our sample, with a rectified galactocentric distance >100 kpc, was the first PN discovered in the outer streams of M31. The [O III] 4363 auroral line was well detected in the spectra of all targets, enabling electron temperature determination. Ionic abundances are derived based on the [O III] temperatures, and elemental abundances of helium, nitrogen, oxygen, neon, sulfur, and argon are estimated. The relatively low N/O and He/H ratios as well as abundance ratios of alpha-elements indicate that our target PNe might belong to populations as old as ~2 Gyr. Our PN sample, including the current seven and the previous three observed by Fang et al., have rather homogeneo...

  16. Structure and substructure analysis of DAFT/FADA galaxy clusters in the [0.4-0.9] redshift range

    CERN Document Server

    Guennou, L; Durret, F; Neto, G B Lima; Ulmer, M P; Clowe, D; LeBrun, V; Martinet, N; Allam, S; Annis, J; Basa, S; Benoist, C; Biviano, A; Cappi, A; Cypriano, E S; Gavazzi, R; Halliday, C; Ilbert, O; Jullo, E; Just, D; Limousin, M; Márquez, I; Mazure, A; Murphy, K J; Plana, H; Rostagni, F; Russeil, D; Schirmer, M; Slezak, E; Tucker, D; Zaritsky, D; Ziegler, B

    2013-01-01

    We analyse the structures of all the clusters in the DAFT/FADA survey for which XMM-Newton and/or a sufficient number of galaxy redshifts in the cluster range is available, with the aim of detecting substructures and evidence for merging events. These properties are discussed in the framework of standard cold dark matter cosmology.XMM-Newton data were available for 32 clusters, for which we derive the X-ray luminosity and a global X-ray temperature for 25 of them. For 23 clusters we were able to fit the X-ray emissivity with a beta-model and subtract it to detect substructures in the X-ray gas. A dynamical analysis based on the SG method was applied to the clusters having at least 15 spectroscopic galaxy redshifts in the cluster range: 18 X-ray clusters and 11 clusters with no X-ray data. Only major substructures will be detected. Ten substructures were detected both in X-rays and by the SG method. Most of the substructures detected both in X-rays and with the SG method are probably at their first cluster per...

  17. Development of a Probabilistic Component Mode Synthesis Method for the Analysis of Non-Deterministic Substructures

    Science.gov (United States)

    Brown, Andrew M.; Ferri, Aldo A.

    1995-01-01

    Standard methods of structural dynamic analysis assume that the structural characteristics are deterministic. Recognizing that these characteristics are actually statistical in nature, researchers have recently developed a variety of methods that use this information to determine probabilities of a desired response characteristic, such as natural frequency, without using expensive Monte Carlo simulations. One of the problems in these methods is correctly identifying the statistical properties of primitive variables such as geometry, stiffness, and mass. This paper presents a method where the measured dynamic properties of substructures are used instead as the random variables. The residual flexibility method of component mode synthesis is combined with the probabilistic methods to determine the cumulative distribution function of the system eigenvalues. A simple cantilever beam test problem is presented that illustrates the theory.

  18. Analysis and application of European genetic substructure using 300 K SNP information.

    Directory of Open Access Journals (Sweden)

    Chao Tian

    2008-01-01

    Full Text Available European population genetic substructure was examined in a diverse set of >1,000 individuals of European descent, each genotyped with >300 K SNPs. Both STRUCTURE and principal component analyses (PCA showed the largest division/principal component (PC differentiated northern from southern European ancestry. A second PC further separated Italian, Spanish, and Greek individuals from those of Ashkenazi Jewish ancestry as well as distinguishing among northern European populations. In separate analyses of northern European participants other substructure relationships were discerned showing a west to east gradient. Application of this substructure information was critical in examining a real dataset in whole genome association (WGA analyses for rheumatoid arthritis in European Americans to reduce false positive signals. In addition, two sets of European substructure ancestry informative markers (ESAIMs were identified that provide substantial substructure information. The results provide further insight into European population genetic substructure and show that this information can be used for improving error rates in association testing of candidate genes and in replication studies of WGA scans.

  19. Substructuring of multibody systems for numerical transfer path analysis in internal combustion engines

    Science.gov (United States)

    Acri, Antonio; Offner, Guenter; Nijman, Eugene; Rejlek, Jan

    2016-10-01

    Noise legislations and the increasing customer demands determine the Noise Vibration and Harshness (NVH) development of modern commercial vehicles. In order to meet the stringent legislative requirements for the vehicle noise emission, exact knowledge of all vehicle noise sources and their acoustic behavior is required. Transfer path analysis (TPA) is a fairly well established technique for estimating and ranking individual low-frequency noise or vibration contributions via the different transmission paths. Transmission paths from different sources to target points of interest and their contributions can be analyzed by applying TPA. This technique is applied on test measurements, which can only be available on prototypes, at the end of the designing process. In order to overcome the limits of TPA, a numerical transfer path analysis methodology based on the substructuring of a multibody system is proposed in this paper. Being based on numerical simulation, this methodology can be performed starting from the first steps of the designing process. The main target of the proposed methodology is to get information of noise sources contributions of a dynamic system considering the possibility to have multiple forces contemporary acting on the system. The contributions of these forces are investigated with particular focus on distribute or moving forces. In this paper, the mathematical basics of the proposed methodology and its advantages in comparison with TPA will be discussed. Then, a dynamic system is investigated with a combination of two methods. Being based on the dynamic substructuring (DS) of the investigated model, the methodology proposed requires the evaluation of the contact forces at interfaces, which are computed with a flexible multi-body dynamic (FMBD) simulation. Then, the structure-borne noise paths are computed with the wave based method (WBM). As an example application a 4-cylinder engine is investigated and the proposed methodology is applied on the

  20. ProteMiner-SSM: a web server for efficient analysis of similar protein tertiary substructures

    Science.gov (United States)

    Chang, Darby Tien-Hau; Chen, Chien-Yu; Chung, Wen-Chin; Oyang, Yen-Jen; Juan, Hsueh-Fen; Huang, Hsuan-Cheng

    2004-01-01

    Analysis of protein–ligand interactions is a fundamental issue in drug design. As the detailed and accurate analysis of protein–ligand interactions involves calculation of binding free energy based on thermodynamics and even quantum mechanics, which is highly expensive in terms of computing time, conformational and structural analysis of proteins and ligands has been widely employed as a screening process in computer-aided drug design. In this paper, a web server called ProteMiner-SSM designed for efficient analysis of similar protein tertiary substructures is presented. In one experiment reported in this paper, the web server has been exploited to obtain some clues about a biochemical hypothesis. The main distinction in the software design of the web server is the filtering process incorporated to expedite the analysis. The filtering process extracts the residues located in the caves of the protein tertiary structure for analysis and operates with O(nlogn) time complexity, where n is the number of residues in the protein. In comparison, the α-hull algorithm, which is a widely used algorithm in computer graphics for identifying those instances that are on the contour of a three-dimensional object, features O(n2) time complexity. Experimental results show that the filtering process presented in this paper is able to speed up the analysis by a factor ranging from 3.15 to 9.37 times. The ProteMiner-SSM web server can be found at http://proteminer.csie.ntu.edu.tw/. There is a mirror site at http://p4.sbl.bc.sinica.edu.tw/proteminer/. PMID:15215355

  1. The Gaia-ESO Survey: Separating disk chemical substructures with cluster models

    CERN Document Server

    Rojas-Arriagada, A; de Laverny, P; Schultheis, M; Guiglion, G; Mikolaitis, Š; Kordopatis, G; Hill, V; Gilmore, G; Randich, S; Alfaro, E J; Bensby, T; Koposov, S E; Costado, M T; Franciosini, E; Hourihane, A; Jofré, P; Lardo, C; Lewis, J; Lind, K; Magrini, L; Monaco, L; Morbidelli, L; Sacco, G G; Worley, C C; Zaggia, S; Chiappini, C

    2015-01-01

    (Abridged) Recent spectroscopic surveys have begun to explore the Galactic disk system outside the solar neighborhood on the basis of large data samples. In this way, they provide valuable information for testing spatial and temporal variations of disk structure kinematics and chemical evolution. We used a Gaussian mixture model algorithm, as a rigurous mathematical approach, to separate in the [Mg/Fe] vs. [Fe/H] plane a clean disk star subsample from the Gaia-ESO survey internal data release 2. We find that the sample is separated into five groups associated with major Galactic components; the metal-rich end of the halo, the thick disk, and three subgroups for the thin disk sequence. This is confirmed with a sample of red clump stars from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. The two metal-intermediate and metal-rich groups of the thin disk decomposition ([Fe/H]>-0.25 dex) highlight a change in the slope at solar metallicity. This holds true at different radial regions. ...

  2. The LHC Search for The CP-odd Higgs by The Jet Substructure Analysis

    CERN Document Server

    Chen, Ning; Liu, Yandong; Liu, Zuowei

    2014-01-01

    The LHC searches for the CP-odd Higgs boson is studied (with masses from 300 GeV to 1 TeV) in the context of the general two-Higgs-doublet model. With the discovery of the 125 GeV Higgs boson at the LHC, we highlight one promising discovery channel of the hZ. This channel can become significant after the global signal fitting to the 125 GeV Higgs boson in the general two-Higgs-doublet model. It is particularly important in the scenario where two CP-even Higgs bosons in the two-Higgs-doublet model have the common mass of 125 GeV. Since the final states involve a Standard-Model-like Higgs boson, we apply the jet substructure analysis of the fat Higgs jet in order to eliminate the Standard Model background sufficiently. After performing the kinematic cuts, we present the LHC search sensitivities for the CP-odd Higgs boson with mass up to 1 TeV via this channel.

  3. A dynamic model with substructures for contact-impact analysis of flexible multibody systems

    Institute of Scientific and Technical Information of China (English)

    GUO; Anping(郭安萍); HONG; Jiazhen(洪嘉振); YANG; Hui(杨辉)

    2003-01-01

    Using a substructure synthesis method this paper studies the longitudinal compressive impact of a flexible bar with a rigid body. The crucial variable affecting the validity of the method is derived theoretically. By computational simulation tests, excellent agreement has been found between the solution of this model and the exact solution when the variable is chosen suitably. Considering both the computational efficiency and the accuracy of solutions obtained on the model in different engineering problems, several optimum values of the variable are suggested.

  4. Analysis of East Asia genetic substructure using genome-wide SNP arrays.

    Directory of Open Access Journals (Sweden)

    Chao Tian

    Full Text Available Accounting for population genetic substructure is important in reducing type 1 errors in genetic studies of complex disease. As efforts to understand complex genetic disease are expanded to different continental populations the understanding of genetic substructure within these continents will be useful in design and execution of association tests. In this study, population differentiation (Fst and Principal Components Analyses (PCA are examined using >200 K genotypes from multiple populations of East Asian ancestry. The population groups included those from the Human Genome Diversity Panel [Cambodian, Yi, Daur, Mongolian, Lahu, Dai, Hezhen, Miaozu, Naxi, Oroqen, She, Tu, Tujia, Naxi, Xibo, and Yakut], HapMap [ Han Chinese (CHB and Japanese (JPT], and East Asian or East Asian American subjects of Vietnamese, Korean, Filipino and Chinese ancestry. Paired Fst (Wei and Cockerham showed close relationships between CHB and several large East Asian population groups (CHB/Korean, 0.0019; CHB/JPT, 00651; CHB/Vietnamese, 0.0065 with larger separation with Filipino (CHB/Filipino, 0.014. Low levels of differentiation were also observed between Dai and Vietnamese (0.0045 and between Vietnamese and Cambodian (0.0062. Similarly, small Fst's were observed among different presumed Han Chinese populations originating in different regions of mainland of China and Taiwan (Fst's <0.0025 with CHB. For PCA, the first two PC's showed a pattern of relationships that closely followed the geographic distribution of the different East Asian populations. PCA showed substructure both between different East Asian groups and within the Han Chinese population. These studies have also identified a subset of East Asian substructure ancestry informative markers (EASTASAIMS that may be useful for future complex genetic disease association studies in reducing type 1 errors and in identifying homogeneous groups that may increase the power of such studies.

  5. Substructure Analysis of Selected Low Richness 2dFGRS Clusters of Galaxies

    CERN Document Server

    Burgett, W S; Davis, D S; Colless, M; De Propris, R; Baldry, I K; Baugh, C; Bland-Hawthorn, J; Bridges, T J; Cannon, R; Cole, S; Collins, C; Couch, W; Cross, N; Dalton, G B; Driver, S; Efstathiou, G P; Ellis, R; Frenk, C; Glazebrook, K; Hawkins, E; Jackson, C; Lahav, O; Lewis, I; Lumsden, S; Maddox, S; Madgwick, D; Norberg, P; Peacock, J A; Percival, W; Peterson, B; Sutherland, W; Taylor, K; Burgett, William S.; Vick, Michael M.; Davis, David S.; Colless, Matthew; Propris, Roberto De; Baldry, Ivan; Baugh, Carlton; Bland-Hawthorn, Joss; Bridges, Terry; Cannon, Russell; Cole, Shaun; Collins, Chris; Couch, Warrick; Cross, Nicholas; Dalton, Gavin; Driver, Simon; Efstathiou, George; Ellis, Richard; Frenk, Carlos; Glazebrook, Karl; Hawkins, Edward; Jackson, Carole; Lahav, Ofer; Lewis, Ian; Lumsden, Stuart; Maddox, Steve; Madgwick, Darren; Norberg, Peder; Peacock, John A.; Percival, Will; Peterson, Bruce; Sutherland, Will; Taylor, Keith

    2004-01-01

    Complementary one-, two-, and three-dimensional tests for detecting the presence of substructure in clusters of galaxies are applied to recently obtained data from the 2dF Galaxy Redshift Survey. The sample of 25 clusters used in this study includes 16 clusters not previously investigated for substructure. Substructure is detected at or greater than the 99% CL level in at least one test for 21 of the 25 clusters studied here. From the results, it appears that low richness clusters commonly contain subclusters participating in mergers. About half of the clusters have two or more components within 0.5 h^{-1} Mpc of the cluster centroid, and at least three clusters (Abell 1139, Abell 1663, and Abell S333) exhibit velocity-position characteristics consistent with the presence of possible cluster rotation, shear, or infall dynamics. The geometry of certain features is consistent with influence by the host supercluster environments. In general, our results support the hypothesis that low richness clusters relax to ...

  6. Dynamic analysis of structures with elastomers using substructuring with non-matched interfaces and improved modeling of elastomer properties

    Science.gov (United States)

    Lin, Hejie

    A variety of engineering structures are composed of linear structural components connected by elastomers. The components are commonly analyzed using large-scale finite element models. Examples include engine crankshafts with torsional dampers, engine structures with an elastomeric gasket between the head and the block, engine-vehicle structures using elastomeric engine mounts, etc. An analytical method is presented in this research for the dynamic analysis of large-scale structures with elastomers. The dissertation has two major parts. In the first part, a computationally efficient substructuring method is developed for substructures with non-matched interface meshes. The method is based on the conventional fixed-interface, Craig-Bampton component mode synthesis (CMS) method. However, its computational efficiency is greatly enhanced with the introduction of interface modes. Kriging interpolation at the interfaces between substructures ensures compatibility of deformation. In the second part, a series of dynamic measurements of mechanical properties of elastomers is presented. Dynamic stiffness as a function of frequency under controlled temperature and vibrational amplitude is measured. Also, the strain and stress relaxation behavior is tested to investigate the linearity and histeresis of an elastomer. The linearity of dynamic stiffness is studied and discussed in detail through the strain and stress relaxation test. The dynamic stiffness of elastomers is measured at different conditions such as temperature, frequency, and amplitude. The relationships between dynamic stiffness and temperature, and frequency and amplitude are discussed. After the dynamic properties of an elastomer are measured, a mathematical model is presented for characterizing the frequency and temperature-dependent properties of elastomers from the fundamental features of the molecular chains forming them. Experimental observations are used in the model development to greatly enhance the

  7. Global Profiling and Novel Structure Discovery Using Multiple Neutral Loss/Precursor Ion Scanning Combined with Substructure Recognition and Statistical Analysis (MNPSS): Characterization of Terpene-Conjugated Curcuminoids in Curcuma longa as a Case Study.

    Science.gov (United States)

    Qiao, Xue; Lin, Xiong-hao; Ji, Shuai; Zhang, Zheng-xiang; Bo, Tao; Guo, De-an; Ye, Min

    2016-01-05

    To fully understand the chemical diversity of an herbal medicine is challenging. In this work, we describe a new approach to globally profile and discover novel compounds from an herbal extract using multiple neutral loss/precursor ion scanning combined with substructure recognition and statistical analysis. Turmeric (the rhizomes of Curcuma longa L.) was used as an example. This approach consists of three steps: (i) multiple neutral loss/precursor ion scanning to obtain substructure information; (ii) targeted identification of new compounds by extracted ion current and substructure recognition; and (iii) untargeted identification using total ion current and multivariate statistical analysis to discover novel structures. Using this approach, 846 terpecurcumins (terpene-conjugated curcuminoids) were discovered from turmeric, including a number of potentially novel compounds. Furthermore, two unprecedented compounds (terpecurcumins X and Y) were purified, and their structures were identified by NMR spectroscopy. This study extended the application of mass spectrometry to global profiling of natural products in herbal medicines and could help chemists to rapidly discover novel compounds from a complex matrix.

  8. Chemical Security Analysis Center

    Data.gov (United States)

    Federal Laboratory Consortium — In 2006, by Presidential Directive, DHS established the Chemical Security Analysis Center (CSAC) to identify and assess chemical threats and vulnerabilities in the...

  9. Thermal substructure of hot deformed austenite substructure

    Energy Technology Data Exchange (ETDEWEB)

    Bernshtejn, M.L.; Kaputkina, L.M.; Nikishov, N.A. (Moskovskij Inst. Stali i Splavov (USSR))

    1982-01-01

    Effect of hot working different regimes on formation of austenite structure and substructure of the 60N20 and 60Kh5G6 steels and kinetics of softening processes at postdeformation isothermal (at deformation temperature) heating, is investigated. It is shown, that variation of hot working regimes permits to obtain a wide range of structural and substructural austenite conditions. Rate decrease and temperature increase promotes obtaining after hot working and conservation under cooling conditions of developed polygonized substructure. Similar polygonized isotropic substructure with a rather low density of dislocations inside of subgrains promotes decelerating of initial stages of recrystallization development under conditions of hot working and regulated post-deformation heatings. Alloying by carbide-forming elements (chromium and manganese) delays development of recrystallization (in comparison with alloying with nickel), even if the steel is in the condition of single-phase solid solution.

  10. Correlation between the sub-structure parameters and the manufacturing technologies of metal threads in historical textiles using X-ray line profile analysis

    Science.gov (United States)

    Csiszár, Gábor; Ungár, Tamás; Járó, Márta

    2013-06-01

    Micro-structure can talk when documentation is missing. In ancient Roman or medieval periods, kings, queens, or just rich people decorated their clothes or even their horse covers richly with miniature jewels or metal threads. The origin or the fabrication techniques of these ancient threads is often unknown. Thirteen thread samples made of gold or gilt silver manufactured during the last sixteen hundred years are investigated for the micro-structure in terms of dislocation density, crystallite size, and planar defects. In a few cases, these features are compared with sub-structure of similar metallic threads prepared in modern, twentieth century workshops. The sub-structure is determined by X-ray line profile analysis, using high resolution diffractograms with negligible instrumental broadening. On the basis of the sub-structure parameters, we attempt to assess the metal-threads manufacturing procedures on samples stemming from the fourth century A.D. until now.

  11. Correlation between the sub-structure parameters and the manufacturing technologies of metal threads in historical textiles using X-ray line profile analysis

    Energy Technology Data Exchange (ETDEWEB)

    Csiszar, Gabor; Ungar, Tamas [Eoetvoes University Budapest, Department of Materials Physics, Budapest (Hungary); Jaro, Marta [Hungarian National Museum, Budapest (Hungary)

    2013-06-15

    Micro-structure can talk when documentation is missing. In ancient Roman or medieval periods, kings, queens, or just rich people decorated their clothes or even their horse covers richly with miniature jewels or metal threads. The origin or the fabrication techniques of these ancient threads is often unknown. Thirteen thread samples made of gold or gilt silver manufactured during the last sixteen hundred years are investigated for the micro-structure in terms of dislocation density, crystallite size, and planar defects. In a few cases, these features are compared with sub-structure of similar metallic threads prepared in modern, twentieth century workshops. The sub-structure is determined by X-ray line profile analysis, using high resolution diffractograms with negligible instrumental broadening. On the basis of the sub-structure parameters, we attempt to assess the metal-threads manufacturing procedures on samples stemming from the fourth century A.D. until now. (orig.)

  12. Analysis of shape memory alloy sensory particles for damage detection via substructure and continuum damage modeling

    Science.gov (United States)

    Bielefeldt, Brent R.; Benzerga, A. Amine; Hartl, Darren J.

    2016-04-01

    The ability to monitor and predict the structural health of an aircraft is of growing importance to the aerospace industry. Currently, structural inspections and maintenance are based upon experiences with similar aircraft operating in similar conditions. While effective, these methods are time-intensive and unnecessary if the aircraft is not in danger of structural failure. It is imagined that future aircraft will utilize non-destructive evaluation methods, allowing for the near real-time monitoring of structural health. A particularly interesting method involves utilizing the unique transformation response of shape memory alloy (SMA) particles embedded in an aircraft structure. By detecting changes in the mechanical and/or electromagnetic responses of embedded particles, operators could detect the formation or propagation of fatigue cracks in the vicinity of these particles. This work focuses on a finite element model of SMA particles embedded in an aircraft wing using a substructure modeling approach in which degrees of freedom are retained only at specified points of connection to other parts or the application of boundary conditions, greatly reducing computational cost. Previous work evaluated isolated particle response to a static crack to numerically demonstrate and validate this damage detection method. This paper presents the implementation of a damage model to account for crack propagation and examine for the first time the effect of particle configuration and/or relative placement with respect to the ability to detect damage.

  13. Optical Substructures in 48 Galaxy Clusters

    CERN Document Server

    Girardi, M; Fadda, D; Giuricin, G; Mardirossian, F; Mezzetti, M

    1996-01-01

    We analyze the presence of substructures in a set of 48 galaxy clusters, by using galaxy positions and redshifts. We use a multi-scale analysis which couples kinematical estimators with the wavelet transform. 14% of our clusters are strongly substructured (i.e. they are bimodal or complex) and 24% of the remaining unimodal clusters contain substructures at small scales. Thus, in substantial agreement with previous studies, about one third of clusters show substructures. In unimodal clusters the presence of substructures does not affect the estimates of both virial masses and velocity dispersions, which are generally in good agreement with the X-ray temperatures. Thus, unimodal clusters are not too far from a status of dynamical equilibrium. On the contrary, velocity dispersions and masses for some bimodal or complex clusters strongly depend on whether they are treated as single systems or as sums of different clumps and X-ray temperatures and velocity dispersions may be very different.

  14. Population genetic analysis and sub-structuring of Theileria parva in the northern and eastern parts of Zambia

    Directory of Open Access Journals (Sweden)

    Muleya Walter

    2012-11-01

    Full Text Available Abstract Background Theileriosis, caused by Theileria parva, is an economically important disease in Africa. It is a major constraint to the development of the livestock industry in some parts of eastern, central and southern Africa. In Zambia, theileriosis causes losses of up to 10,000 cattle annually. Methods Cattle blood samples were collected for genetic analysis of Theileria parva from Isoka and Petauke districts in Zambia. Microsatellite analysis was then performed on all Theileria parva positive samples for PCR using a panel of 9 microsatellite markers. Microsatellite data was analyzed using microsatellite toolkit, GenAlEx ver. 6, Fstat ver. 2.9.3.2, and LIAN computer softwares. Results The combined percentage of positive samples in both districts determined by PCR using the p104 gene primers was 54.9% (95% CI: 46.7 – 63.1%, 78/142, while in each district, it was 44.8% (95% CI: 34.8 – 54.8% and 76.1% (95% CI = 63.9 – 88.4% for Isoka and Petauke districts, respectively. We analyzed the population genetic structure of Theileria parva from a total of 61 samples (33 from Isoka and 28 from Petauke using a panel of 9 microsatellite markers encompassing the 4 chromosomes of Theileria parva. Wright’s F index (FST = 0.178 showed significant differentiation between the Isoka and Petauke populations. Linkage disequilibrium was observed when populations from both districts were treated as a single population. When analyzed separately, linkage disequilibrium was observed in Kanyelele and Kalembe areas in Isoka district, Isoka district overall and in Petauke district. Petauke district had a higher multiplicity of infection than Isoka district. Conclusion Population genetic analyses of Theileria parva from Isoka and Petauke districts showed a low level of genotype exchange between the districts, but a high level of genetic diversity within each district population, implying genetic and geographic sub-structuring between the districts. The sub-structuring

  15. Jet substructure in ATLAS

    CERN Document Server

    Miller, David W

    2011-01-01

    Measurements are presented of the jet invariant mass and substructure in proton-proton collisions at $\\sqrt{s} = 7$ TeV with the ATLAS detector using an integrated luminosity of 37 pb$^{-1}$. These results exercise the tools for distinguishing the signatures of new boosted massive particles in the hadronic final state. Two "fat" jet algorithms are used, along with the filtering jet grooming technique that was pioneered in ATLAS. New jet substructure observables are compared for the first time to data at the LHC. Finally, a sample of candidate boosted top quark events collected in the 2010 data is analyzed in detail for the jet substructure properties of hadronic "top-jets" in the final state. These measurements demonstrate not only our excellent understanding of QCD in a new energy regime but open the path to using complex jet substructure observables in the search for new physics.

  16. Jet Substructure Without Trees

    Energy Technology Data Exchange (ETDEWEB)

    Jankowiak, Martin; Larkoski, Andrew J.; /SLAC /Stanford U., ITP

    2011-08-19

    We present an alternative approach to identifying and characterizing jet substructure. An angular correlation function is introduced that can be used to extract angular and mass scales within a jet without reference to a clustering algorithm. This procedure gives rise to a number of useful jet observables. As an application, we construct a top quark tagging algorithm that is competitive with existing methods. In preparation for the LHC, the past several years have seen extensive work on various aspects of collider searches. With the excellent resolution of the ATLAS and CMS detectors as a catalyst, one area that has undergone significant development is jet substructure physics. The use of jet substructure techniques, which probe the fine-grained details of how energy is distributed in jets, has two broad goals. First, measuring more than just the bulk properties of jets allows for additional probes of QCD. For example, jet substructure measurements can be compared against precision perturbative QCD calculations or used to tune Monte Carlo event generators. Second, jet substructure allows for additional handles in event discrimination. These handles could play an important role at the LHC in discriminating between signal and background events in a wide variety of particle searches. For example, Monte Carlo studies indicate that jet substructure techniques allow for efficient reconstruction of boosted heavy objects such as the W{sup {+-}} and Z{sup 0} gauge bosons, the top quark, and the Higgs boson.

  17. Algebraic sub-structuring for electromagnetic applications

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Chao; Gao, Weiguo; Bai, Zhaojun; Li, Xiaoye; Lee, Lie-Quan; Husbands, Parry; Ng, Esmond G.

    2004-09-14

    Algebraic sub-structuring refers to the process of applying matrix reordering and partitioning algorithms to divide a large sparse matrix into smaller submatrices from which a subset of spectral components are extracted and combined to form approximate solutions to the original problem. In this paper, we show that algebraic sub-structuring can be effectively used to solve generalized eigenvalue problems arising from the finite element analysis of an accelerator structure.

  18. Algebraic Sub-Structuring for Electromagnetic Applications

    Energy Technology Data Exchange (ETDEWEB)

    Yang, C.; Gao, W.G.; Bai, Z.J.; Li, X.Y.S.; Lee, L.Q.; Husbands, P.; Ng, E.G.; /LBL, Berkeley /UC, Davis /SLAC

    2006-06-30

    Algebraic sub-structuring refers to the process of applying matrix reordering and partitioning algorithms to divide a large sparse matrix into smaller submatrices from which a subset of spectral components are extracted and combined to form approximate solutions to the original problem. In this paper, they show that algebraic sub-structuring can be effectively used to solve generalized eigenvalue problems arising from the finite element analysis of an accelerator structure.

  19. Evolutionarily conserved substrate substructures for automated annotation of enzyme superfamilies.

    Directory of Open Access Journals (Sweden)

    Ranyee A Chiang

    Full Text Available The evolution of enzymes affects how well a species can adapt to new environmental conditions. During enzyme evolution, certain aspects of molecular function are conserved while other aspects can vary. Aspects of function that are more difficult to change or that need to be reused in multiple contexts are often conserved, while those that vary may indicate functions that are more easily changed or that are no longer required. In analogy to the study of conservation patterns in enzyme sequences and structures, we have examined the patterns of conservation and variation in enzyme function by analyzing graph isomorphisms among enzyme substrates of a large number of enzyme superfamilies. This systematic analysis of substrate substructures establishes the conservation patterns that typify individual superfamilies. Specifically, we determined the chemical substructures that are conserved among all known substrates of a superfamily and the substructures that are reacting in these substrates and then examined the relationship between the two. Across the 42 superfamilies that were analyzed, substantial variation was found in how much of the conserved substructure is reacting, suggesting that superfamilies may not be easily grouped into discrete and separable categories. Instead, our results suggest that many superfamilies may need to be treated individually for analyses of evolution, function prediction, and guiding enzyme engineering strategies. Annotating superfamilies with these conserved and reacting substructure patterns provides information that is orthogonal to information provided by studies of conservation in superfamily sequences and structures, thereby improving the precision with which we can predict the functions of enzymes of unknown function and direct studies in enzyme engineering. Because the method is automated, it is suitable for large-scale characterization and comparison of fundamental functional capabilities of both characterized

  20. Structural Modeling and Analysis of a Wave Energy Converter Applying Dynamical Substructuring Method

    DEFF Research Database (Denmark)

    Zurkinden, Andrew Stephen; Damkilde, Lars; Gao, Zhen

    2013-01-01

    This paper deals with structural modeling and analysis of a wave energy converter. The device, called Wavestar, is a bottom fixed structure, located in a shallow water environment at the Danish Northwest coast. The analysis is concentrated on a single float and its structural arm which connects...

  1. Dislocation substructure of mantle-derived olivine as revealed by selective chemical etching and transmission electron microscopy

    Science.gov (United States)

    Kirby, S.H.; Wegner, M.W.

    1978-01-01

    Cleaved and mechanically polished surfaces of olivine from peridotite xenoliths from San Carlos, Arizona, were chemically etched using the techniques of Wegner and Christie (1974). Dislocation etch pits are produced on all surface orientations and they tend to be preferentially aligned along the traces of subgrain boundaries, which are approximately parallel to (100), (010), and (001). Shallow channels were also produced on (010) surfaces and represent dislocations near the surface that are etched out along their lengths. The dislocation etch channel loops are often concentric, and emanate from (100) subgrain boundaries, which suggests that dislocation sources are in the boundaries. Data on subgrain misorientation and dislocation line orientation and arguments based on subgrain boundary energy minimization are used to characterize the dislocation structures of the subgrain boundaries. (010) subgrain boundaries are of the twist type, composed of networks of [100] and [001] screw dislocations. Both (100) and (001) subgrain boundaries are tilt walls composed of arrays of edge dislocation with Burgers vectors b=[100] and [001], respectively. The inferred slip systems are {001} ???100???, {100} ???001???, and {010} ???100??? in order of diminishing importance. Exploratory transmission electron microscopy is in accord with these identifications. The flow stresses associated with the development of the subgrain structure are estimated from the densities of free dislocations and from the subgrain dimensions. Inferred stresses range from 35 to 75 bars using the free dislocation densities and 20 to 100 bars using the subgrain sizes. ?? 1978 Springer-Verlag.

  2. Multivariate Quantitative Chemical Analysis

    Science.gov (United States)

    Kinchen, David G.; Capezza, Mary

    1995-01-01

    Technique of multivariate quantitative chemical analysis devised for use in determining relative proportions of two components mixed and sprayed together onto object to form thermally insulating foam. Potentially adaptable to other materials, especially in process-monitoring applications in which necessary to know and control critical properties of products via quantitative chemical analyses of products. In addition to chemical composition, also used to determine such physical properties as densities and strengths.

  3. A structural design decomposition method utilizing substructuring

    Science.gov (United States)

    Scotti, Stephen J.

    1994-01-01

    A new method of design decomposition for structural analysis and optimization is described. For this method, the structure is divided into substructures where each substructure has its structural response described by a structural-response subproblem, and its structural sizing determined from a structural-sizing subproblem. The structural responses of substructures that have rigid body modes when separated from the remainder of the structure are further decomposed into displacements that have no rigid body components, and a set of rigid body modes. The structural-response subproblems are linked together through forces determined within a structural-sizing coordination subproblem which also determines the magnitude of any rigid body displacements. Structural-sizing subproblems having constraints local to the substructures are linked together through penalty terms that are determined by a structural-sizing coordination subproblem. All the substructure structural-response subproblems are totally decoupled from each other, as are all the substructure structural-sizing subproblems, thus there is significant potential for use of parallel solution methods for these subproblems.

  4. Jet Substructure by Accident

    CERN Document Server

    Cohen, Timothy; Lisanti, Mariangela; Lou, Hou Keong

    2012-01-01

    We propose a new search strategy for high-multiplicity hadronic final states. When new particles are produced at threshold, the distribution of their decay products is approximately isotropic. If there are many partons in the final state, it is likely that several will be clustered into the same large-radius jet. The resulting jet exhibits substructure, even though the parent states are not boosted. This "accidental" substructure is a powerful discriminant against background because it is more pronounced for high-multiplicity signals than for QCD multijets. We demonstrate how to take advantage of accidental substructure to reduce backgrounds without relying on the presence of missing energy. As an example, we present the expected limits for several R-parity violating gluino decay topologies. This approach allows for the determination of QCD backgrounds using data-driven methods, which is crucial for the feasibility of any search that targets signatures with many jets and suppressed missing energy.

  5. Analysis of population substructure in two sympatric populations of Gran Chaco, Argentina.

    Science.gov (United States)

    Sevini, Federica; Yao, Daniele Yang; Lomartire, Laura; Barbieri, Annalaura; Vianello, Dario; Ferri, Gianmarco; Moretti, Edgardo; Dasso, Maria Cristina; Garagnani, Paolo; Pettener, Davide; Franceschi, Claudio; Luiselli, Donata; Franceschi, Zelda Alice

    2013-01-01

    Sub-population structure and intricate kinship dynamics might introduce biases in molecular anthropology studies and could invalidate the efforts to understand diseases in highly admixed populations. In order to clarify the previously observed distribution pattern and morbidity of Chagas disease in Gran Chaco, Argentina, we studied two populations (Wichí and Criollos) recruited following an innovative bio-cultural model considering their complex cultural interactions. By reconstructing the genetic background and the structure of these two culturally different populations, the pattern of admixture, the correspondence between genealogical and genetic relationships, this integrated perspective had the power to validate data and to link the gap usually relying on a singular discipline. Although Wichí and Criollos share the same area, these sympatric populations are differentiated from the genetic point of view as revealed by Non Recombinant Y Chromosome genotyping resulting in significantly high Fst values and in a lower genetic variability in the Wichí population. Surprisingly, the Amerindian and the European components emerged with comparable amounts (20%) among Criollos and Wichí respectively. The detailed analysis of mitochondrial DNA showed that the two populations have as much as 87% of private haplotypes. Moreover, from the maternal perspective, despite a common Amerindian origin, an Andean and an Amazonian component emerged in Criollos and in Wichí respectively. Our approach allowed us to highlight that quite frequently there is a discrepancy between self-reported and genetic kinship. Indeed, if self-reported identity and kinship are usually utilized in population genetics as a reliable proxy for genetic identity and parental relationship, in our model populations appear to be the result not only and not simply of the genetic background but also of complex cultural determinants. This integrated approach paves the way to a rigorous reconstruction of

  6. Mass Substructure in Abell 3128

    Science.gov (United States)

    McCleary, J.; dell'Antonio, I.; Huwe, P.

    2015-05-01

    We perform a detailed two-dimensional weak gravitational lensing analysis of the nearby (z = 0.058) galaxy cluster Abell 3128 using deep ugrz imaging from the Dark Energy Camera (DECam). We have designed a pipeline to remove instrumental artifacts from DECam images and stack multiple dithered observations without inducing a spurious ellipticity signal. We develop a new technique to characterize the spatial variation of the point-spread function that enables us to circularize the field to better than 0.5% and thereby extract the intrinsic galaxy ellipticities. By fitting photometric redshifts to sources in the observation, we are able to select a sample of background galaxies for weak-lensing analysis free from low-redshift contaminants. Photometric redshifts are also used to select a high-redshift galaxy subsample with which we successfully isolate the signal from an interloping z = 0.44 cluster. We estimate the total mass of Abell 3128 by fitting the tangential ellipticity of background galaxies with the weak-lensing shear profile of a Navarro-Frenk-White (NFW) halo and also perform NFW fits to substructures detected in the 2D mass maps of the cluster. This study yields one of the highest resolution mass maps of a low-z cluster to date and is the first step in a larger effort to characterize the redshift evolution of mass substructures in clusters.

  7. MASS SUBSTRUCTURE IN ABELL 3128

    Energy Technology Data Exchange (ETDEWEB)

    McCleary, J.; Dell’Antonio, I.; Huwe, P., E-mail: Jacqueline_McCleary@brown.edu [Department of Physics, Brown University, Box 1843, Providence, RI 02912 (United States)

    2015-05-20

    We perform a detailed two-dimensional weak gravitational lensing analysis of the nearby (z = 0.058) galaxy cluster Abell 3128 using deep ugrz imaging from the Dark Energy Camera (DECam). We have designed a pipeline to remove instrumental artifacts from DECam images and stack multiple dithered observations without inducing a spurious ellipticity signal. We develop a new technique to characterize the spatial variation of the point-spread function that enables us to circularize the field to better than 0.5% and thereby extract the intrinsic galaxy ellipticities. By fitting photometric redshifts to sources in the observation, we are able to select a sample of background galaxies for weak-lensing analysis free from low-redshift contaminants. Photometric redshifts are also used to select a high-redshift galaxy subsample with which we successfully isolate the signal from an interloping z = 0.44 cluster. We estimate the total mass of Abell 3128 by fitting the tangential ellipticity of background galaxies with the weak-lensing shear profile of a Navarro–Frenk–White (NFW) halo and also perform NFW fits to substructures detected in the 2D mass maps of the cluster. This study yields one of the highest resolution mass maps of a low-z cluster to date and is the first step in a larger effort to characterize the redshift evolution of mass substructures in clusters.

  8. Safety Evaluation of a Hybrid Substructure for Offshore Wind Turbine

    Directory of Open Access Journals (Sweden)

    Min-Su Park

    2016-01-01

    Full Text Available Towers and rotor-nacelles are being enlarged to respond to the need for higher gross generation of the wind turbines. However, the accompanying enlargement of the substructure supporting these larger offshore wind turbines makes it strongly influenced by the effect of wave forces. In the present study, the hybrid substructure is suggested to reduce the wave forces by composing a multicylinder having different radii near free surface and a gravity substructure at the bottom of the multicylinder. In addition, the reaction forces acting on the substructure due to the very large dead load of the offshore wind turbine require very firm foundations. This implies that the dynamic pile-soil interaction has to be fully considered. Therefore, ENSOFT Group V7.0 is used to calculate the stiffness matrices on the pile-soil interaction conditions. These matrices are then used together with the loads at TP (Transition Piece obtained from GH-Bladed for the structural analysis of the hybrid substructure by ANSYS ASAS. The structural strength and deformation are evaluated to derive an ultimate structural safety of the hybrid substructure for various soil conditions and show that the first few natural frequencies of the substructure are heavily influenced by the wind turbine. Therefore, modal analysis is carried out through GH-Bladed to examine the resonance between the wind turbine and the hybrid substructure.

  9. Cluster X-Ray Substructure and Radio Galaxy Correlations

    Science.gov (United States)

    Ledlow, M. J.; Burns, J. O.

    1994-12-01

    Current wisdom suggests that X-ray substructure in the intracluster medium (ICM) is fairly common in galaxy clusters. This substructure takes the form of elongations, isophotal twisting, asymmetries, and sub-clumping. Substructure is also frequently present in kinematical analysis of the galaxy velocity and spatial distributions. These features include bimodality, kurtosis or skewness, and non-Gaussian velocity distributions. Consistent with the observations, Hydro/N-Body simulations suggest that cluster-subcluster mergers may be the culprit to explain these features in the ICM gas distribution, and would indicate that many clusters, even at the present epoch, are still undergoing significant dynamical evolution. From a sample of X-ray images from the Einstein satellite and, more recently, the ROSAT mission, Burns et al. (1994) found a significant correlation between the positions of radio galaxies and subclumps within the cluster-scale X-ray emission. Burns et al. have suggested that radio galaxies reside in the residue of cluster/sub-cluster merging sites, and may therefore act as pointers to clusters with ongoing and intersting dynamical activity. We are following up these ideas with a detailed substructure analysis, and a comparison to a sample of clusters without radio galaxies. In order to determine the signficance of substructure, we have reanalyzed the X-ray images using a Bootstrap-Resampling Monte-Carlo technique. In this method, asymmetries, elongations, and other forms of substructure are evaluated using a moment-analysis similar to M{o}hr et al. (1994), with the advantage that we need not assume apriori any specific substructure-free model for the source (\\ie\\ a Beta-model). The significance of individual features is determined solely from a comparison to statistical fluctuations (including noise) of the actual data. Using this technique, we place limits on the fraction of clusters with significant substructure and test the radio galaxy/substructure

  10. Composite Octet Searches with Jet Substructure

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Yang; /SLAC; Shelton, Jessie; /Yale U.

    2012-02-14

    Many new physics models with strongly interacting sectors predict a mass hierarchy between the lightest vector meson and the lightest pseudoscalar mesons. We examine the power of jet substructure tools to extend the 7 TeV LHC sensitivity to these new states for the case of QCD octet mesons, considering both two gluon and two b-jet decay modes for the pseudoscalar mesons. We develop both a simple dijet search using only the jet mass and a more sophisticated jet substructure analysis, both of which can discover the composite octets in a dijet-like signature. The reach depends on the mass hierarchy between the vector and pseudoscalar mesons. We find that for the pseudoscalar-to-vector meson mass ratio below approximately 0.2 the simple jet mass analysis provides the best discovery limit; for a ratio between 0.2 and the QCD-like value of 0.3, the sophisticated jet substructure analysis has the best discovery potential; for a ratio above approximately 0.3, the standard four-jet analysis is more suitable.

  11. Chemical Analysis Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: Uses state-of-the-art instrumentation for qualitative and quantitative analysis of organic and inorganic compounds, and biomolecules from gas, liquid, and...

  12. Functional group and substructure searching as a tool in metabolomics.

    Directory of Open Access Journals (Sweden)

    Masaaki Kotera

    Full Text Available BACKGROUND: A direct link between the names and structures of compounds and the functional groups contained within them is important, not only because biochemists frequently rely on literature that uses a free-text format to describe functional groups, but also because metabolic models depend upon the connections between enzymes and substrates being known and appropriately stored in databases. METHODOLOGY: We have developed a database named "Biochemical Substructure Search Catalogue" (BiSSCat, which contains 489 functional groups, >200,000 compounds and >1,000,000 different computationally constructed substructures, to allow identification of chemical compounds of biological interest. CONCLUSIONS: This database and its associated web-based search program (http://bisscat.org/ can be used to find compounds containing selected combinations of substructures and functional groups. It can be used to determine possible additional substrates for known enzymes and for putative enzymes found in genome projects. Its applications to enzyme inhibitor design are also discussed.

  13. 基于MATLAB的间接逆子结构动态分析软件实现%Software Implementation of Indirect Inverse Sub-structure Dynamic Analysis Based on MATLAB

    Institute of Scientific and Technical Information of China (English)

    周斌; 吕广庆; 江满华

    2013-01-01

    Inverse sub-structure dynamic analysis of structural dynamics is a technical theory and analysis method recently developed,but it requires large amounts of data for analysis and calculation.In order to analysis efficiently,here comes the development of a indirect inverse sub-structure dynamic quality detection software.Calculated based on the the indirect inverse sub-structure theory,based on the indirect inverse sub the discretization packaging coupled dynamic stiffness structural analysis calculation method and mode shapes combined method.Using Matlab graphical user interface (GUI),data importing,processing,mapping and other operations can be easily implemented,while the use of Matlab powerful matrix computing power to quickly calculate the required results for professionals to analyze.%逆子结构动态分析是结构动力学的新近发展的一项技术理论和分析方法,但逆子结构动态分析需要对大量的数据进行分析计算.为了更有效率地分析,开发了间接逆子结构动态质量检测技术软件.基于间接逆子结构理论,依据离散化包装耦合体动刚度的间接逆子结构分析计算方法和振型组合方法进行计算.利用Matlab的图形用户界面(GUI),可以方便地实现对数据的导入、处理、作图等操作,同时利用Matlab强大的矩阵运算能力,快速地计算出所需要的结果以供专业人员分析使用.

  14. Quantifying the Significance of Substructure in Coronal Loops

    Science.gov (United States)

    McKeough, K. B. D.; Kashyap, V.; McKillop, S.

    2014-12-01

    A method to infer the presence of small-scale substructure in SDO/AIA (Atmospheric Imaging Assembly on the Solar Dynamics Observatory) images of coronal loops is developed. We can classify visible loop structure based on this propensity to show substructure which puts constraints on contemporary solutions to the coronal heating problem. The method uses the Bayesian algorithm Low-count Image Reconstruction and Analysis (LIRA) to infer the multi-scale component of the loops which describes deviations from a smooth model. The increase in contrast of features in this multi-scale component is determined using a statistic that estimates the sharpness across the image. Regions with significant substructure are determined using p-value upper bounds. We are able to locate substructure visible in Hi-C (High-Resolution Coronal Imager) data that are not salient features in the corresponding AIA image. Looking at coronal loops at different regions of the Sun (e.g., low-lying structure and loops in the upper corona) we are able to map where detectable substructure exists and thus the influence of the nanoflare heating process. We acknowledge support from AIA under contract SP02H1701R from Lockheed-Martin to SAO.

  15. The Cluster Substructure - Alignment Connection

    OpenAIRE

    Plionis, Manolis

    2001-01-01

    Using the APM cluster data we investigate whether the dynamical status of clusters is related to the large-scale structure of the Universe. We find that cluster substructure is strongly correlated with the tendency of clusters to be aligned with their nearest neighbour and in general with the nearby clusters that belong to the same supercluster. Furthermore, dynamically young clusters are more clustered than the overall cluster population. These are strong indications that cluster develop in ...

  16. Contribution to Structural Elucidation: Behaviours of Substructures Partially Defined from 2D NMR

    Institute of Scientific and Technical Information of China (English)

    EPOUHE, Celine; FAN, Bo-Tao; YUAN, Shen-Gang; PANAYE, A.; DOUCET, J. P

    2003-01-01

    Structural elucidation (automatic determination of the structure of a molecule from its spectra) is frequently hampered by combinatorial explosion when trying to assemble the identified substructures. We devised a new method which can avoid this pitfall by a systematic examination of allowed 13C chemical shifts ranges for all substructures chemically possible and combined with a progressive pruning thanks to neighbouring relationships appearing from 2D NMR. This method is explained by a detailed example.

  17. Substructured multibody molecular dynamics.

    Energy Technology Data Exchange (ETDEWEB)

    Grest, Gary Stephen; Stevens, Mark Jackson; Plimpton, Steven James; Woolf, Thomas B. (Johns Hopkins University, Baltimore, MD); Lehoucq, Richard B.; Crozier, Paul Stewart; Ismail, Ahmed E.; Mukherjee, Rudranarayan M. (Rensselaer Polytechnic Institute, Troy, NY); Draganescu, Andrei I.

    2006-11-01

    We have enhanced our parallel molecular dynamics (MD) simulation software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator, lammps.sandia.gov) to include many new features for accelerated simulation including articulated rigid body dynamics via coupling to the Rensselaer Polytechnic Institute code POEMS (Parallelizable Open-source Efficient Multibody Software). We use new features of the LAMMPS software package to investigate rhodopsin photoisomerization, and water model surface tension and capillary waves at the vapor-liquid interface. Finally, we motivate the recipes of MD for practitioners and researchers in numerical analysis and computational mechanics.

  18. Early dynamical evolution of young substructured clusters

    Science.gov (United States)

    Dorval, Julien; Boily, Christian

    2017-03-01

    Stellar clusters form with a high level of substructure, inherited from the molecular cloud and the star formation process. Evidence from observations and simulations also indicate the stars in such young clusters form a subvirial system. The subsequent dynamical evolution can cause important mass loss, ejecting a large part of the birth population in the field. It can also imprint the stellar population and still be inferred from observations of evolved clusters. Nbody simulations allow a better understanding of these early twists and turns, given realistic initial conditions. Nowadays, substructured, clumpy young clusters are usually obtained through pseudo-fractal growth and velocity inheritance. We introduce a new way to create clumpy initial conditions through a ''Hubble expansion'' which naturally produces self consistent clumps, velocity-wise. In depth analysis of the resulting clumps shows consistency with hydrodynamical simulations of young star clusters. We use these initial conditions to investigate the dynamical evolution of young subvirial clusters. We find the collapse to be soft, with hierarchical merging leading to a high level of mass segregation. The subsequent evolution is less pronounced than the equilibrium achieved from a cold collapse formation scenario.

  19. 子结构快速多极子边界元法声学迭代计算收敛特性分析%Convergence property analysis for acoustic iterative calculation of substructure FMBEM

    Institute of Scientific and Technical Information of China (English)

    崔晓兵

    2015-01-01

    Substructure FMBEM is developed by the application of substructure technique into Fast Multipole Boundary Element Method (FMBEM). It carries out the investigation and analysis of its iterative convergence situation and the inlfuence factors by complex structure acoustic ifeld calculation. It is found that the building of matrix equation, scale of interface and filling of the sound-absorbing material have significant influence on convergence speed when the problem is solved by the programs with FORTRAN language. Finally, the transmission loss of a silencer is calculated by the substructure FMBEM with comparison with conventional BEM in order to conifrm its correctness and accuracy.%将子结构技术应用到快速多极子边界元法中,形成子结构快速多极子边界元法。通过复杂结构声场计算,对该方法的迭代计算收敛情况以及影响收敛的因素进行研究分析。经研究发现,应用Fortran语言编程求解问题时,矩阵方程构建方式,交界面的规模以及是否填充吸声材料对迭代法的收敛速度有着重要影响。最后,以应用子结构快速多极子边界元法与传统边界元法计算消声器传递损失为例,对该方法的准确性和精度进行验证。

  20. Relational database cartridges and their efficiency in chemical sub-structure searching%子结构检索中关系数据库插件的使用和效率

    Institute of Scientific and Technical Information of China (English)

    王玉玲; 吴昊; 温浩

    2011-01-01

    采用关系数据库插件能够实现化合物描述符(FingerPrint)的生成、建立索引和化合物的子结构检索.本文以PubChem 有机化合物Molfile为数据源,在Oracle关系数据库上分别安装插件OrChem(JAVA)和Bingo(C++)构建了化合物分子结构数据库.本文从FingerPrint的构成和索引策略两方面讨论了OrChem和Bingo的主要差异,并选取10个特征化合物进行子结构检索测试.对存储40万种化合物的分子结构数据库的测试结果显示,OrChem可满足用户检索响应,Bingo则更为快捷.对于存储2600万种化合物的分子结构数据库,针对Bingo通过优化Oracle数据库内存管理、数据表结构、子结构预筛选参数,实现了满足用户的高效检索.%Relational database cartridge provides FingerPrint generation, indexing and molecular substructure searching. Two Oracle database cartridges, OrChem (JAVA) and Bingo (C++), are used in this work to develop the molecular structure database and its sub-structure search system with PubChem organic compound Molfile data. Differences between OrChem and Bingo on FingerPrint and Index strategy were discussed for 2-dimensional sub-structure searching. The efficiency of OrChem and Bingo on sub-structure searching was tested by using 10 typical query substructures on molecular structure databases of 400000 compounds and of 26000000 compounds, respectively. For the database of 400000 compounds, either OrChem or Bingo operates well enough for practical service, while Bingo shows higher efficiency. Bingo, for its capability on supporting the operation of larger database, operates successfully on the database of 26000000 compounds by configuration of memory management, table structure and sub-structure pre-screening parameters settings.

  1. Evolution variable dependence of jet substructure

    CERN Document Server

    Sakaki, Yasuhito

    2015-01-01

    Studies on jet substructure have evolved significantly in recent years. Jet substructure is essentially determined by QCD radiations and non-perturbative effects. Predictions of jet substructure are usually different among Monte Carlo event generators, and are governed by the parton shower algorithm implemented. For leading logarithmic parton shower, even though one of the core variables is the evolution variable, its choice is not unique. We examine evolution variable dependence of the jet substructure by developing a parton shower generator that interpolates between different evolution variables using a parameter $\\alpha$. Jet shape variables and associated jet rates for quark and gluon jets are used to demonstrate the $\\alpha$-dependence of the jet substructure. We find angular ordered shower predicts wider jets, while relative transverse momentum ($p_{\\bot}$) ordered shower predicts narrower jets. This is qualitatively in agreement with the missing phase space of $p_{\\bot}$ ordered showers. Such differenc...

  2. Gas phase chemical detection with an integrated chemical analysis system

    Energy Technology Data Exchange (ETDEWEB)

    CASALNUOVO,STEPHEN A.; FRYE-MASON,GREGORY CHARLES; KOTTENSTETTE,RICHARD; HELLER,EDWIN J.; MATZKE,CAROLYN M.; LEWIS,PATRICK R.; MANGINELL,RONALD P.; BACA,ALBERT G.; HIETALA,VINCENT M.

    2000-04-12

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample preconcentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described.

  3. Substructural Identification of Flexural Rigidity for Beam-Like Structures

    Directory of Open Access Journals (Sweden)

    Ki-Young Koo

    2015-01-01

    Full Text Available This study proposes a novel substructural identification method based on the Bernoulli-Euler beam theory with a single variable optimization scheme to estimate the flexural rigidity of a beam-like structure such as a bridge deck, which is one of the major structural integrity indices of a structure. In ordinary bridges, the boundary condition of a superstructure can be significantly altered by aging and environmental variations, and the actual boundary conditions are generally unknown or difficult to be estimated correctly. To efficiently bypass the problems related to boundary conditions, a substructural identification method is proposed to evaluate the flexural rigidity regardless of the actual boundary conditions by isolating an identification region within the internal substructure. The proposed method is very simple and effective as it utilizes the single variable optimization based on the transfer function formulated utilizing Bernoulli Euler beam theory for the inverse analysis to obtain the flexural rigidity. This novel method is also rigorously investigated by applying it for estimating the flexural rigidity of a simply supported beam model with different boundary conditions, a concrete plate-girder bridge model with different length of an internal substructure, a cantilever-type wind turbine tower structure with different type of excitation, and a steel box-girder bridge model with internal structural damages.

  4. [Laboratory chemical analysis in ascites].

    Science.gov (United States)

    Satz, N

    1991-04-13

    Chemical analysis of ascitic fluid may be helpful in determining the underlying disease. We discuss the diagnostic accuracy of the common and newer chemical parameters (protein, LDH, lactate, glucose, cholesterol, triglycerides, phospholipids, fibronectin, albumin gradient [value of serum minus value of ascites], ferritin, tumor markers, immunomodulators, leukocytes, bacterial and cytologic examinations). We also review the pathogenesis and clinical findings of the most frequent ascites forms (benign hepatic, infective, malignant ascites, ascites associated with liver metastases or hepatocellular carcinoma, cardiac and pancreatic ascites) and the most important diagnosis criteria. In the malignant ascites a high cholesterol, a narrow albumin gradient or a high ferritin value have high diagnostic accuracy, but diagnosis is by the finding of malignant cells. For the diagnosis of infective ascites, bacteriology is mandatory even though the results are negative in most cases, particularly in spontaneous bacterial peritonitis where diagnosis has to be established clinically, by a low pH or by a high leukocyte count. Benign hepatic ascites is diagnosed by demonstrating an underlying chronic liver disease and laboratory examinations of the peritoneal fluid to exclude other causes. The laboratory tests in ascites associated with liver metastases or with hepatocellular carcinoma were similar to those in benign hepatic ascites and the two ascites forms must be separated by other clinical and technical findings. Pancreatic ascites can easily be distinguished from the other forms by the high amylase and lipase content.

  5. Type Classes for Lightweight Substructural Types

    Directory of Open Access Journals (Sweden)

    Edward Gan

    2015-02-01

    Full Text Available Linear and substructural types are powerful tools, but adding them to standard functional programming languages often means introducing extra annotations and typing machinery. We propose a lightweight substructural type system design that recasts the structural rules of weakening and contraction as type classes; we demonstrate this design in a prototype language, Clamp. Clamp supports polymorphic substructural types as well as an expressive system of mutable references. At the same time, it adds little additional overhead to a standard Damas-Hindley-Milner type system enriched with type classes. We have established type safety for the core model and implemented a type checker with type inference in Haskell.

  6. Nonlinear signal-based control with an error feedback action for nonlinear substructuring control

    Science.gov (United States)

    Enokida, Ryuta; Kajiwara, Koichi

    2017-01-01

    A nonlinear signal-based control (NSBC) method utilises the 'nonlinear signal' that is obtained from the outputs of a controlled system and its linear model under the same input signal. Although this method has been examined in numerical simulations of nonlinear systems, its application in physical experiments has not been studied. In this paper, we study an application of NSBC in physical experiments and incorporate an error feedback action into the method to minimise the error and enhance the feasibility in practice. Focusing on NSBC in substructure testing methods, we propose nonlinear substructuring control (NLSC), that is a more general form of linear substructuring control (LSC) developed for dynamical substructured systems. In this study, we experimentally and numerically verified the proposed NLSC via substructuring tests on a rubber bearing used in base-isolated structures. In the examinations, NLSC succeeded in gaining accurate results despite significant nonlinear hysteresis and unknown parameters in the substructures. The nonlinear signal feedback action in NLSC was found to be notably effective in minimising the error caused by nonlinearity or unknown properties in the controlled system. In addition, the error feedback action in NLSC was found to be essential for maintaining stability. A stability analysis based on the Nyquist criterion, which is used particularly for linear systems, was also found to be efficient for predicting the instability conditions of substructuring tests with NLSC and useful for the error feedback controller design.

  7. The genetics of amphibian decline: population substructure and molecular differentiation in the Yosemite toad, Bufo canorus (Anura, Bufonidae) based on single-strand conformation polymorphism analysis (SSCP) and mitochondrial DNA sequence data

    Science.gov (United States)

    Shaffer, H. Bradley; Fellers, Gary M.; Magee, Allison; Voss, S. Randal

    2000-01-01

    We present a comprehensive survey of genetic variation across the range of the narrowly distributed endemic Yosemite toad Bufo canorus, a declining amphibian restricted to the Sierra Nevada of California. Based on 322 bp of mitochondrial cytochrome b sequence data, we found limited support for the monophyly of B. canorus and its closely related congener B. exsul to the exclusion of the widespread western toad B. boreas. However, B. exsul was always phylogenetically nested within B. canorus, suggesting that the latter may not be monophyletic. SSCP (single-strand conformation polymorphism) analysis of 372 individual B. canorus from 28 localities in Yosemite and Kings Canyon National Parks revealed no shared haplotypes among these two regions and lead us to interpret these two parks as distinct management units for B. canorus. Within Yosemite, we found significant genetic substructure both at the level of major drainages and among breeding ponds. Kings Canyon samples show a different pattern, with substantial variation among breeding sites, but no substructure among drainages. Across the range of B. canorus as well as among Yosemite ponds, we found an isolation-by-distance pattern suggestive of a stepping stone model of migration. However, in Kings Canyon we found no hint of such a pattern, suggesting that movement patterns of toads may be quite different in these nearby parklands. Our data imply that management for B. canorus should focus at the individual pond level, and effective management may necessitate reintroductions if local extirpations occur. A brief review of other pond-breeding anurans suggests that highly structured populations are often the case, and thus that our results for B. canorus may be general for other species of frogs and toads.

  8. A Unified Approach to Substructuring and Structural Modification Problems

    Directory of Open Access Journals (Sweden)

    Walter D’Ambrogio

    2004-01-01

    Full Text Available Substructures coupling is still an important tool in several applications of modal analysis, especially structural modification and structures assembling. The subject is particularly relevant in virtual prototyping of complex systems and responds to actual industrial needs. This paper analyzes the possibility of assembling together different substructures' models. The important role of rotational DoFs is highlighted, underlying the difficulty of assembling theoretical and experimental models, for which, usually, the rotational DoFs are not available. Expansion techniques can be used to provide this information as well as appropriate modelling of joints. With this information FRF models, modal models and FE models can be appropriately combined together and solutions for several cases of practical interest are presented. The analyzed procedures are tested on purpose-built benchmarks, showing limits and capabilities of each of them.

  9. Particle Reconstruction at the LHC using Jet Substructure Algorithms

    CERN Document Server

    Rathjens, Denis

    2012-01-01

    The LHC-era with √ s = 7 TeV allows for a new energy-regime to be accessed. Heavy mass-resonances up to 3.5 TeV/c 2 are in reach. If such heavy particles decay hadronically to much lighter Standard Model particles such as top, Z or W, the jets of the decay products have a sizeable probability to be merged into a single jet. The result is a boosted jet with substructure. This diploma thesis deals with the phenomena of boosted jets, algorithms to distinguish substructure in these jets from normal hadronization and methods to further improve searches with boosted jets. The impact of such methods is demonstrated in an example analysis of a Z’→ tt¯-scenario on 2 fb −1 of data.

  10. Tracing the Cosmic Web substructure with Lagrangian submanifold

    CERN Document Server

    Shandarin, Sergei F

    2014-01-01

    A new computational paradigm for the analysis of substructure of the Cosmic Web in cosmological cold dark matter simulations is proposed. We introduce a new data-field --- the flip-flop field ---which carries wealth of information about the history and dynamics of the structure formation in the universe. The flip-flop field is an ordered data set in Lagrangian space representing the number of turns inside out sign reversals of an elementary volume of each collisionless fluid element represented by a computational particle in a N-body simulation. This field is computed using the Lagrangian submanifold, i.e. the three-dimensional dark matter sheet in the six-dimensional space formed by three Lagrangian and three Eulerian coordinates of the simulation particles. It is demonstrated that the very rich substructure of dark matter haloes and the void regions can be reliably and unambiguously recovered from the flip-flop field.

  11. A NEW METHOD TO QUANTIFY X-RAY SUBSTRUCTURES IN CLUSTERS OF GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Andrade-Santos, Felipe; Lima Neto, Gastao B.; Lagana, Tatiana F. [Departamento de Astronomia, Instituto de Astronomia, Geofisica e Ciencias Atmosfericas, Universidade de Sao Paulo, Geofisica e Ciencias Atmosfericas, Rua do Matao 1226, Cidade Universitaria, 05508-090 Sao Paulo, SP (Brazil)

    2012-02-20

    We present a new method to quantify substructures in clusters of galaxies, based on the analysis of the intensity of structures. This analysis is done in a residual image that is the result of the subtraction of a surface brightness model, obtained by fitting a two-dimensional analytical model ({beta}-model or Sersic profile) with elliptical symmetry, from the X-ray image. Our method is applied to 34 clusters observed by the Chandra Space Telescope that are in the redshift range z in [0.02, 0.2] and have a signal-to-noise ratio (S/N) greater than 100. We present the calibration of the method and the relations between the substructure level with physical quantities, such as the mass, X-ray luminosity, temperature, and cluster redshift. We use our method to separate the clusters in two sub-samples of high- and low-substructure levels. We conclude, using Monte Carlo simulations, that the method recuperates very well the true amount of substructure for small angular core radii clusters (with respect to the whole image size) and good S/N observations. We find no evidence of correlation between the substructure level and physical properties of the clusters such as gas temperature, X-ray luminosity, and redshift; however, analysis suggest a trend between the substructure level and cluster mass. The scaling relations for the two sub-samples (high- and low-substructure level clusters) are different (they present an offset, i.e., given a fixed mass or temperature, low-substructure clusters tend to be more X-ray luminous), which is an important result for cosmological tests using the mass-luminosity relation to obtain the cluster mass function, since they rely on the assumption that clusters do not present different scaling relations according to their dynamical state.

  12. Using Network Methodology to Infer Population Substructure.

    Directory of Open Access Journals (Sweden)

    Dmitry Prokopenko

    Full Text Available One of the main caveats of association studies is the possible affection by bias due to population stratification. Existing methods rely on model-based approaches like structure and ADMIXTURE or on principal component analysis like EIGENSTRAT. Here we provide a novel visualization technique and describe the problem of population substructure from a graph-theoretical point of view. We group the sequenced individuals into triads, which depict the relational structure, on the basis of a predefined pairwise similarity measure. We then merge the triads into a network and apply community detection algorithms in order to identify homogeneous subgroups or communities, which can further be incorporated as covariates into logistic regression. We apply our method to populations from different continents in the 1000 Genomes Project and evaluate the type 1 error based on the empirical p-values. The application to 1000 Genomes data suggests that the network approach provides a very fine resolution of the underlying ancestral population structure. Besides we show in simulations, that in the presence of discrete population structures, our developed approach maintains the type 1 error more precisely than existing approaches.

  13. 基于阻抗耦合子结构法的电主轴固有特性求解%Inherent characteristic solution of motorized spindle based on receptance coupling substructure analysis

    Institute of Scientific and Technical Information of China (English)

    汪博; 孙伟; 闻邦椿

    2012-01-01

    根据阻抗耦合子结构法的基本原理,提出基于阻抗耦合子结构法求解电主轴固有特性的流程,包括电主轴轴段的划分、根据Timoshenko梁理论求解各轴段固有频率和各轴段频响函数、电主轴的阻抗耦合、结果分析等步骤。以某立式加工中心电主轴为研究对象,应用所提出的方法,对该电主轴的固有特性进行求解,并与有限元分析结果对比,证明了该方法的有效性。%Based on the theory of receptance coupling substructure analysis, the solving process of inherent characteristics were proposed, which included the division of spindle shaft segment, the inherent frequency and frequency re sponse function in each segment solved by Timoshenko beam theory, the impedance coupling of the spindle, result analysis and so on. By taking the motorized spindle of a vertical machining center as object, its inherent characteristics were solved by proposed method. The result revealed the effectiveness of the method by comparing with finite element analysis.

  14. The Singular Behavior of Jet Substructure Observables

    CERN Document Server

    Larkoski, Andrew J

    2016-01-01

    Jet substructure observables play a central role at the Large Hadron Collider for identifying the boosted hadronic decay products of electroweak scale resonances. The complete description of these observables requires understanding both the limit in which hard substructure is resolved, as well as the limit of a jet with a single hard core. In this paper we study in detail the perturbative structure of two prominent jet substructure observables, $N$-subjettiness and the energy correlation functions, as measured on background QCD jets. In particular, we focus on the distinction between the limits in which two-prong structure is resolved or unresolved. Depending on the choice of subjet axes, we demonstrate that at fixed order, $N$-subjettiness can manifest myriad behaviors in the unresolved region: smooth tails, end-point singularities, or singularities in the physical region. The energy correlation functions, by contrast, only have non-singular perturbative tails extending to the end point. We discuss the effec...

  15. Optical MEMS for chemical analysis and biomedicine

    CERN Document Server

    Jiang, Hongrui

    2016-01-01

    This book describes the current state of optical MEMS in chemical and biomedical analysis and brings together current trends and highlights topics representing the most exciting progress in recent years in the field.

  16. Functional Analysis for Chemical Engineers.

    Science.gov (United States)

    Ramkrishna, D.

    1979-01-01

    Described is a graduate level engineering course on functional analysis offered at Purdue University. The course restricts itself to linear problems, specifically analysis of linear operators on vector spaces. Key applications in the course demonstrating the utility of abstract formulations are presented. (BT)

  17. Spectroscopic Chemical Analysis Methods and Apparatus

    Science.gov (United States)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor); Bhartia, Rohit (Inventor); Lane, Arthur L. (Inventor)

    2017-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted along with photoluminescence spectroscopy (i.e. fluorescence and/or phosphorescence spectroscopy) to provide high levels of sensitivity and specificity in the same instrument.

  18. Substructure formation during pattern transposition from substrate into polymer blend film

    NARCIS (Netherlands)

    Cyganik, P; Budkowski, A; Steiner, U; Rysz, J; Bernasik, A; Walheim, S; Postawa, Z; Raczkowska, J

    2003-01-01

    A chemical pattern on a substrate is transposed into thin films of a ternary polymer blend during spin-casting from a common solvent. One of the blend components intercalates at interfaces between the other two phases to reduce their interfacial energy. As a result, an extensive substructure is form

  19. Halo Substructure Towards the Galactic Center

    Science.gov (United States)

    Amy, Paul Martin; Martin, Charles; Newberg, Heidi Jo; Shelton, Siddartha; Carlin, Jeffrey L.; Willett, Benjamin A.

    2017-01-01

    We measure the velocity substructure of blue horizontal branch stars in Data Release 10 of the Sloan Digital Sky Survey, particularly in the regions of the Hermus Stream, the Hyllus Stream, and the Hercules-Aquila Cloud. These stars are concentrated at lower latitudes (b Research.

  20. MAPPING THE GALACTIC HALO. VIII. QUANTIFYING SUBSTRUCTURE

    NARCIS (Netherlands)

    Starkenburg, Else; Helmi, Amina; Morrison, Heather L.; Harding, Paul; van Woerden, Hugo; Mateo, Mario; Olszewski, Edward W.; Sivarani, Thirupathi; Norris, John E.; Freeman, Kenneth C.; Shectman, Stephen A.; Dohm-Palmer, R. C.; Frey, Lucy; Oravetz, Dan

    2009-01-01

    We have measured the amount of kinematic substructure in the Galactic halo using the final data set from the Spaghetti project, a pencil-beam high-latitude sky survey. Our sample contains 101 photometrically selected and spectroscopically confirmed giants with accurate distance, radial velocity, and

  1. THE UNORTHODOX ORBITS OF SUBSTRUCTURE HALOS

    NARCIS (Netherlands)

    Ludlow, Aaron D.; Navarro, Julio F.; Springel, Volker; Jenkins, Adrian; Frenk, Carlos S.; Helmi, Amina

    2009-01-01

    We use a suite of cosmological N-body simulations to study the properties of substructure halos (subhalos) in galaxy-sized cold dark matter halos. We extend prior work on the subject by considering the whole population of subhalos physically associated with the main system. These are defined as subh

  2. Chemical sensing in process analysis.

    Science.gov (United States)

    Hirschfeld, T; Callis, J B; Kowalski, B R

    1984-10-19

    Improvements in process control, which determine production efficiency and product quality, are critically dependent upon on-line process analysis. The technology of the required instrumentation will be substantially expanded by advances in sensing devices. In the future, the hardware will consist of sensor arrays and miniaturized instruments fabricated by microlithography and silicon micromachining. Chemometrics will be extensively used in software to provide error detection, selfcalibration, and correction as well as multivariate data analysis for the determination of anticipated and unanticipated species. A number of examples of monolithically fabricated sensors now exist and more will be forthcoming as the new paradigms and new tools are widely adopted. A trend toward not only on-line but even in-product sensors is becoming discernible.

  3. 40 CFR 761.253 - Chemical analysis.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Chemical analysis. 761.253 Section 761.253 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT... analysis. (a) Extract PCBs from the standard wipe sample collection medium and clean-up the extracted...

  4. Chemical analysis of aquatic pheromones in fish.

    Science.gov (United States)

    Stewart, Michael; Baker, Cindy F; Sorensen, Peter W

    2013-01-01

    Pheromones are chemicals that pass between members of the same species that have inherent meaning. In the case of fish, pheromones are water-soluble and found in low concentrations. As such, sensitive and selective methods are needed to separate and analyze these pheromones from an environmental matrix that may contain many other chemicals. This chapter describes a generic method used to concentrate and identify these chemicals and two extremely sensitive and selective methods for analysis, namely, mass spectrometry and enzyme-linked immunosorbent assay.

  5. Boosted objects and jet substructure at the LHC

    CERN Document Server

    Altheimer, A.; Asquith, L.; Backus Mayes, J.; Bergeaas Kuutmann, E.; Berger, J.; Bjergaard, D.; Bryngemark, L.; Buckley, A.; Butterworth, J.; Cacciari, M.; Campanelli, M.; Carli, T.; Chala, M.; Chen, C.; Chou, J.P.; Cornelissen, Th.; Curtin, D.; Dasgupta, M.; Davison, A.; De Almeida Dias, F.; De Cosa, A.; De Roeck, A.; Debenedetti, C.; Doglioni, C.; Ellis, S.D.; Fassi, F.; Ferrando, J.; Fleischmann, S.; Freytsis, M.; Gonzalez Silva, M.L.; Gonzalez de la Hoz, S.; Guescini, F.; Han, Z.; Hook, A.; Hornig, A.; Izaguirre, E.; Jankowiak, M.; Juknevich, J.; Kaci, M.; Kar, D.; Kasieczka, G.; Kogler, R.; Larkoski, A.; Loch, P.; Lopez Mateos, D.; Marzani, S.; Masetti, L.; Mateu, V.; Miller, D.W.; Mishra, K.; Nef, P.; Nordstrom, K.; Oliver Garcia, E.; Penwell, J.; Pilot, J.; Plehn, T.; Rappoccio, S.; Rizzi, A.; Rodrigo, G.; Safonov, A.; Salam, G.P.; Salt, J.; Schaetzel, S.; Schioppa, M.; Schmidt, A.; Scholtz, J.; Schwartzman, A.; Schwartz, M.; Segala, M.; Son, M.; Soyez, G.; Spannowsky, M.; Stewart, I.; Strom, D.; Swiatlowski, M.; Sanchez Martinez, V.; Takeuchi, M.; Thaler, J.; Thompson, E.; Tran, N.V.; Vermilion, C.; Villaplana, M.; Vos, M.; Wacker, J.; Walsh, J.

    2014-01-01

    This report of the BOOST2012 workshop presents the results of four working groups that studied key aspects of jet substructure. We discuss the potential of the description of jet substructure in first-principle QCD calculations and study the accuracy of state-of-the-art Monte Carlo tools. Experimental limitations of the ability to resolve substructure are evaluated, with a focus on the impact of additional proton proton collisions on jet substructure performance in future LHC operating scenarios. A final section summarizes the lessons learnt during the deployment of substructure analyses in searches for new physics in the production of boosted top quarks.

  6. THE ORIGIN OF THE VIRGO STELLAR SUBSTRUCTURE

    Energy Technology Data Exchange (ETDEWEB)

    Carlin, Jeffrey L.; Yam, William; Willett, Benjamin A.; Newberg, Heidi J. [Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY 12180 (United States); Casetti-Dinescu, Dana I.; Girard, Terrence M. [Astronomy Department, Yale University, P.O. Box 208101, New Haven, CT 06520-8101 (United States); Majewski, Steven R., E-mail: carlij@rpi.edu [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States)

    2012-07-10

    We present three-dimensional space velocities of stars selected to be consistent with membership in the Virgo stellar substructure. Candidates were selected from SA 103, a single 40' Multiplication-Sign 40' field from our proper-motion (PM) survey in Kapteyn's Selected Areas (SAs), based on the PMs, Sloan Digital Sky Survey (SDSS) photometry, and follow-up spectroscopy of 215 stars. The signature of the Virgo substructure is clear in the SDSS color-magnitude diagram (CMD) centered on SA 103, and 16 stars are identified that have high Galactocentric-frame radial velocities (V{sub GSR} > 50 km s{sup -1}) and lie near the CMD locus of Virgo. The implied distance to the Virgo substructure from the candidates is 14 {+-} 3 kpc. We derive mean kinematics from these 16 stars, finding a radial velocity V{sub GSR} = 153 {+-} 22 km s{sup -1} and proper motions ({mu}{sub {alpha}}cos {delta}, {mu}{sub {delta}}) = (- 5.24, -0.91) {+-} (0.43, 0.46) mas yr{sup -1}. From the mean kinematics of these members, we determine that the Virgo progenitor was on an eccentric (e {approx} 0.8) orbit that recently passed near the Galactic center (pericentric distance R{sub p} {approx} 6 kpc). This destructive orbit is consistent with the idea that the substructure(s) in Virgo originated in the tidal disruption of a Milky Way satellite. N-body simulations suggest that the entire cloud-like Virgo substructure (encompassing the 'Virgo Overdensity' and the 'Virgo Stellar Stream') is likely the tidal debris remnant from a recently disrupted massive ({approx}10{sup 9} M{sub Sun }) dwarf galaxy. The model also suggests that some other known stellar overdensities in the Milky Way halo (e.g., the Pisces Overdensity and debris near NGC 2419 and SEGUE 1) are explained by the disruption of the Virgo progenitor.

  7. An online substructure identification method for local structural health monitoring

    Science.gov (United States)

    Hou, Jilin; Jankowski, Łukasz; Ou, Jinping

    2013-09-01

    This paper proposes a substructure isolation method, which uses time series of measured local response for online monitoring of substructures. The proposed monitoring process consists of two key steps: construction of the isolated substructure, and its identification. The isolated substructure is an independent virtual structure, which is numerically isolated from the global structure by placing virtual supports on the interface. First, the isolated substructure is constructed by a specific linear combination of time series of its measured local responses. Then, the isolated substructure is identified using its local natural frequencies extracted from the combined responses. The substructure is assumed to be linear; the outside part of the global structure can have any characteristics. The method has no requirements on the initial state of the structure, and so the process can be carried out repetitively for online monitoring. Online isolation and monitoring is illustrated in a numerical example with a frame model, and then verified in a cantilever beam experiment.

  8. Chemical and instrumental approaches to cheese analysis.

    Science.gov (United States)

    Subramanian, Anand; Rodriguez-Saona, Luis

    2010-01-01

    Overcoming the complexity of cheese matrix to reliably analyze cheese composition, flavor, and ripening changes has been a challenge. Several sample isolation or fractionation methods, chemical and enzymatic assays, and instrumental methods have been developed over the decades. While some of the methods are well established standard methods, some still need to be researched and improved. This chapter reviews the chemical and instrumental methods available to determine cheese composition and monitor biochemical events (e.g., glycolysis, lipolysis, and proteolysis) during cheese ripening that lead to the formation of cheese flavor. Chemical and enzymatic methods available for analysis of cheese composition (fat, protein, lactose, salt, nitrogen content, moisture, etc.) are presented. Electrophoretic, chromatographic, and spectroscopic techniques are also reviewed in the light of their application to monitor cheese ripening and flavor compounds. Novel instrumental methods based on Fourier-transform infrared spectroscopy that are currently being researched and applied to cheese analysis are introduced.

  9. Smart variations: Functional substructures for part compatibility

    KAUST Repository

    Zheng, Youyi

    2013-05-01

    As collections of 3D models continue to grow, reusing model parts allows generation of novel model variations. Naïvely swapping parts across models, however, leads to implausible results, especially when mixing parts across different model families. Hence, the user has to manually ensure that the final model remains functionally valid. We claim that certain symmetric functional arrangements (sFarr-s), which are special arrangements among symmetrically related substructures, bear close relation to object functions. Hence, we propose a purely geometric approach based on such substructures to match, replace, and position triplets of parts to create non-trivial, yet functionally plausible, model variations. We demonstrate that starting even from a small set of models such a simple geometric approach can produce a diverse set of non-trivial and plausible model variations. © 2013 The Author(s) Computer Graphics Forum © 2013 The Eurographics Association and Blackwell Publishing Ltd.

  10. Towards an understanding of jet substructure

    CERN Document Server

    Dasgupta, Mrinal; Marzani, Simone; Salam, Gavin P

    2013-01-01

    We present first analytic, resummed calculations of the rates at which widespread jet substructure tools tag QCD jets. As well as considering trimming, pruning and the mass-drop tagger, we introduce modified tools with improved analytical and phenomenological behaviours. Most taggers have double logarithmic resummed structures. The modified mass-drop tagger is special in that it involves only single logarithms, and is free from a complex class of terms known as non-global logarithms. The modification of pruning brings an improved ability to discriminate between the different colour structures that characterise signal and background. As we outline in an extensive phenomenological discussion, these results provide valuable insight into the performance of existing tools and help lay robust foundations for future substructure studies.

  11. Tagging Partially Reconstructed Objects with Jet Substructure

    CERN Document Server

    Freytsis, Marat; Walsh, Jonathan R

    2014-01-01

    We present a new tagger which aims at identifying partially reconstructed objects, in which only some of the constituents are collected in a single jet. As an example, we focus on top decays in which either part of the hadronically decaying W or the b jet is soft or falls outside of the top jet cone. We construct an observable to identify remnant substructure from the decay and employ aggressive jet grooming to reject QCD backgrounds. The tagger is complementary to existing ones and works well in the intermediate boost regime where jet substructure techniques usually fail. It is anticipated that a similar tagger can be used to identify non-QCD hadronic jets, such as those expected from hidden valleys.

  12. Simulations of substructures in relativistic jets

    CERN Document Server

    Garcia, R O

    2016-01-01

    We present a set of simulations of relativistic jets from accretion disk initial setup with a new code in Fortran 90 to get numerical solutions of a system of General Relativistic Magnetohydrodynamics (GRMHD) partial differential equations in a fixed Black Hole (BH) spacetime which is able to show substructures formations inside the jet as well as a lobe formation on the disk. For this, a central scheme of finite volume method without dimensional split and no Riemann solvers (a Nessyahu-Tadmor method) was implemented. Thus, we were able to obtain stable numerical solutions with spurious oscillations under control and no excessive numerical dissipation. We setup a magnetized accretion disk uncharged plasma surrounding a central Schwarzschild BH immersed in a magnetosphere which evolve to the ejection of matter in the form of jet with its substructures over a distance of almost twenty times the BH radius.

  13. Multilocus analysis indicates that Trypanosoma cruzi I genetic substructure associated with sylvatic and domestic cycles is not an attribute conserved throughout Colombia.

    Science.gov (United States)

    Gómez-Palacio, Andrés; Lopera, Juan; Rojas, Winston; Bedoya, Gabriel; Cantillo-Barraza, Omar; Marín-Suarez, Johana; Triana-Chávez, Omar; Mejía-Jaramillo, Ana

    2016-03-01

    Trypanosoma cruzi, the causative agent of Chagas disease, has been classified into six discrete typing units (DTUs) named TcI to TcVI. Furthermore, subcontinental scale studies based on analysis of the splice leader intergenic region (SL-IR) of the mini-exon gene have subdivided TcI in five genetic groups (Ia-Ie) related to the domestic and non-domestic cycles. However, a current review of this marker among all the sequences deposited in the GenBank demonstrates no correlation between the genetic structure and the eco-epidemiological features of parasite transmission. In this study, we performed a multilocus analysis of TcI isolates from a diverse array of hosts and vectors in a wide eco-geographical area of Colombia. Sequences from SL-IR and mitochondrial cyt b genes as well as PCR-RFLP profiles for four nuclear genes were analyzed. Multilocus analysis indicates that genetic structuration associated with sylvatic and domestic cycles in Colombia is not an attribute conserved across the entire eco-geography where TcI can be found.

  14. Property Graph vs RDF Triple Store: A Comparison on Glycan Substructure Search.

    Directory of Open Access Journals (Sweden)

    Davide Alocci

    Full Text Available Resource description framework (RDF and Property Graph databases are emerging technologies that are used for storing graph-structured data. We compare these technologies through a molecular biology use case: glycan substructure search. Glycans are branched tree-like molecules composed of building blocks linked together by chemical bonds. The molecular structure of a glycan can be encoded into a direct acyclic graph where each node represents a building block and each edge serves as a chemical linkage between two building blocks. In this context, Graph databases are possible software solutions for storing glycan structures and Graph query languages, such as SPARQL and Cypher, can be used to perform a substructure search. Glycan substructure searching is an important feature for querying structure and experimental glycan databases and retrieving biologically meaningful data. This applies for example to identifying a region of the glycan recognised by a glycan binding protein (GBP. In this study, 19,404 glycan structures were selected from GlycomeDB (www.glycome-db.org and modelled for being stored into a RDF triple store and a Property Graph. We then performed two different sets of searches and compared the query response times and the results from both technologies to assess performance and accuracy. The two implementations produced the same results, but interestingly we noted a difference in the query response times. Qualitative measures such as portability were also used to define further criteria for choosing the technology adapted to solving glycan substructure search and other comparable issues.

  15. Property Graph vs RDF Triple Store: A Comparison on Glycan Substructure Search.

    Science.gov (United States)

    Alocci, Davide; Mariethoz, Julien; Horlacher, Oliver; Bolleman, Jerven T; Campbell, Matthew P; Lisacek, Frederique

    2015-01-01

    Resource description framework (RDF) and Property Graph databases are emerging technologies that are used for storing graph-structured data. We compare these technologies through a molecular biology use case: glycan substructure search. Glycans are branched tree-like molecules composed of building blocks linked together by chemical bonds. The molecular structure of a glycan can be encoded into a direct acyclic graph where each node represents a building block and each edge serves as a chemical linkage between two building blocks. In this context, Graph databases are possible software solutions for storing glycan structures and Graph query languages, such as SPARQL and Cypher, can be used to perform a substructure search. Glycan substructure searching is an important feature for querying structure and experimental glycan databases and retrieving biologically meaningful data. This applies for example to identifying a region of the glycan recognised by a glycan binding protein (GBP). In this study, 19,404 glycan structures were selected from GlycomeDB (www.glycome-db.org) and modelled for being stored into a RDF triple store and a Property Graph. We then performed two different sets of searches and compared the query response times and the results from both technologies to assess performance and accuracy. The two implementations produced the same results, but interestingly we noted a difference in the query response times. Qualitative measures such as portability were also used to define further criteria for choosing the technology adapted to solving glycan substructure search and other comparable issues.

  16. The Origin of the Virgo Stellar Substructure

    CERN Document Server

    Carlin, Jeffrey L; Casetti-Dinescu, Dana I; Willett, Benjamin A; Newberg, Heidi J; Majewski, Steven R; Girard, Terrence M

    2012-01-01

    We present three-dimensional space velocities of stars selected to be consistent with membership in the Virgo stellar substructure. Candidates were selected from SA 103, a single 40x40 arcmin field from our proper motion (PM) survey in Kapteyn's Selected Areas (SAs), based on the PMs, SDSS photometry, and follow-up spectroscopy of 215 stars. The signature of the Virgo substructure is clear in the SDSS color-magnitude diagram (CMD) centered on SA 103, and 16 stars are identified that have high Galactocentric-frame radial velocities (V_GSR > 50 km/s) and lie near the CMD locus of Virgo. The implied distance to the Virgo substructure from the candidates is 14+/-3 kpc. We derive mean kinematics from these 16 stars, finding a radial velocity V_GSR = 153+/-22 km/s and proper motions (mu_alpha*cos(delta), mu_delta) = (-5.24, -0.91)+/-(0.43, 0.46) mas/yr. From the mean kinematics of these members, we determine that the Virgo progenitor was on an eccentric (e ~ 0.8) orbit that recently passed near the Galactic center ...

  17. Identifying a new particle with jet substructures

    CERN Document Server

    Lim, Sung Hak; Kim, Doojin; Kim, Minho; Kong, Kyoungchul; Park, Myeonghun

    2017-01-01

    We investigate a potential of measuring properties of a heavy resonance X, exploiting jet substructure techniques. Motivated by heavy higgs boson searches, we focus on the decays of X into a pair of (massive) electroweak gauge bosons. More specifically, we consider a hadronic Z boson, which makes it possible to determine properties of X at an earlier stage. For $m_X$ of O(1) TeV, two quarks from a Z boson would be captured as a "merged jet" in a significant fraction of events. The use of the merged jet enables us to consider a Z-induced jet as a reconstructed object without any combinatorial ambiguity. We apply a conventional jet substructure method to extract four-momenta of subjets from a merged jet. We find that jet substructure procedures may enhance features in some kinematic observables formed with subjets. Subjet momenta are fed into the matrix element associated with a given hypothesis on the nature of X, which is further processed to construct a matrix element method (MEM)-based observable. For both ...

  18. Simulations of Strong Gravitational Lensing with Substructure

    CERN Document Server

    Amara, A; Cox, T J; Ostriker, J P; Amara, Adam; Cox, Thomas J.; Ostriker, Jeremiah P.

    2004-01-01

    Galactic sized gravitational lenses are simulated by combining a cosmological N-body simulation and models for the baryonic component of the galaxy. The lens caustics, critical curves, image locations and magnification ratios are calculated by ray-shooting on an adaptive grid. It is found that the simulations do not cause the observed number of violations of the cusp caustic magnification relation. A part of this may be due to an insufficient amount of substructure but even for unsmoothed simulations (with maximal substructure) the factor of three increase in the number of violations still did not match the data. This suggests that other factors play an important role. These may include lensing by structure outside the halo, selection bias and the possibility that a randomly selected galaxy halo may be more irregular, for example due to recent mergers, than the isolated halo used in this study. It is also shown that, with the computed level of substructure, the image magnifications of the Einstein cross type ...

  19. Identifying a new particle with jet substructures

    CERN Document Server

    Lim, Sung Hak; Kim, Doojin; Kim, Minho; Kong, Kyoungchul; Park, Myeonghun

    2016-01-01

    We investigate a potential of measuring properties of a heavy resonance X, exploiting jet substructure techniques. Motivated by heavy higgs boson searches, we focus on the decays of X into a pair of (massive) electroweak gauge bosons. More specifically, we consider a hadronic Z boson, which makes it possible to determine properties of X at an earlier stage. For $m_X$ of O(1) TeV, two quarks from a Z boson would be captured as a "merged jet" in a significant fraction of events. The use of the merged jet enables us to consider a Z-induced jet as a reconstructed object without any combinatorial ambiguity. We apply a conventional jet substructure method to extract four-momenta of subjets from a merged jet. We find that jet substructure procedures may enhance features in some kinematic observables formed with subjets. Subjet momenta are fed into the matrix element associated with a given hypothesis on the nature of X, which is further processed to construct a matrix element method (MEM)-based observable. For both ...

  20. Unexpected relationships of substructured populations in Chinese Locusta migratoria

    Directory of Open Access Journals (Sweden)

    Ji Ya-Jie

    2009-06-01

    Full Text Available Abstract Background Highly migratory species are usually expected to have minimal population substructure because strong gene flow has the effect of homogenizing genetic variation over geographical populations, counteracting random drift, selection and mutation. The migratory locust Locusta migratoria belongs to a monotypic genus, and is an infamous pest insect with exceptional migratory ability – with dispersal documented over a thousand kilometers. Its distributional area is greater than that of any other locust or grasshopper, occurring in practically all the temperate and tropical regions of the eastern hemisphere. Consequently, minimal population substructuring is expected. However, in marked contrast to its high dispersal ability, three geographical subspecies have been distinguished in China, with more than nine being biologically and morphologically identified in the world. Such subspecies status has been under considerable debate. Results By multilocus microsatellite genotyping analysis, we provide ample genetic evidence for strong population substructure in this highly migratory insect that conforms to geography. More importantly, our genetic data identified an unexpected cryptic subdivision and demonstrated a strong affiliation of the East China locusts to those in Northwest/Northern China. The migratory locusts in China formed three distinct groups, viz. (1 the Tibetan group, comprising locusts from Tibet and nearby West China high mountain regions; this is congruent with the previously recognized Tibetan subspecies, L. m. tibetensis; (2 the South China group, containing locusts from the Hainan islands; this corresponds to the Southeast Asia oriental tropical subspecies L. m. manilensis; (3 the North China group, including locusts from the Northwest and Northern China (the Asiatic subspecies L. m. migratoria, Central China and Eastern China regions. Therefore, the traditional concept on Locusta subspecies status established from

  1. Exploring the reality of density substructures in the Palomar 5 stellar stream

    CERN Document Server

    Thomas, Guillaume F; Famaey, Benoit; Martin, Nicolas F; Lewis, Geraint F

    2016-01-01

    We present an analysis of the presence of substructures in the stellar stream of the Palomar 5 globular cluster, as derived from Sloan Digital Sky Survey data. Using a matched filter technique, we recover the positions and sizes of overdensities reported in previous studies. To explore the reality of these structures, we also create an artificial model of the stream, in which we construct a realistic background on top of which we add a perfectly smooth stream structure, taking into account the effects of photometric completeness and interstellar extinction. We find that the smooth artificial stream then shows similarly-pronounced substructures as the real structure. Interestingly, our best-fit N-body simulation does display real projected density variations linked to stellar epicyclic motions, but these become less significant when taking into account the SDSS star-count constraints. The substructures found when applying our matched filter technique to the N-body particles converted into observable stars are ...

  2. Chemical abundance analysis of 19 barium stars

    CERN Document Server

    Yang, G C; Spite, M; Chen, Y Q; Zhao, G; Zhang, B; Liu, G Q; Liu, Y J; Liu, N; Deng, L C; Spite, F; Hill, V; Zhang, C X

    2016-01-01

    We aim at deriving accurate atmospheric parameters and chemical abundances of 19 barium (Ba) stars, including both strong and mild Ba stars, based on the high signal-to-noise ratio and high resolution Echelle spectra obtained from the 2.16 m telescope at Xinglong station of National Astronomical Observatories, Chinese Academy of Sciences. The chemical abundances of the sample stars were obtained from an LTE, plane-parallel and line-blanketed atmospheric model by inputting the atmospheric parameters (effective temperatures, surface gravities, metallicity and microturbulent velocity) and equivalent widths of stellar absorption lines. These samples of Ba stars are giants indicated by atmospheric parameters, metallicities and kinematic analysis about UVW velocity. Chemical abundances of 17 elements were obtained for these Ba stars. Their light elements (O, Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn and Ni) are similar to the solar abundances. Our samples of Ba stars show obvious overabundances of neutron-capture (n-ca...

  3. Free-Interface Modal Synthesis Based Substructural Damage Detection Method

    Directory of Open Access Journals (Sweden)

    Shanghong Chen

    2014-01-01

    Full Text Available Free-interface modal synthesis method is applied to civil structure, and a substructure method is proposed by introducing the method into global sensitivity method. The substructure expression of the derivatives of eigenvalues and eigenvectors with respect to elemental parameters is obtained. The accuracy of the application of free-interface modal synthesis method is evaluated with different retained modes in substructure, and then the effectiveness of the proposed substructure sensitivity method is illustrated through an 11-storey building under both single- and multidamage cases. Both the damage locations and the extent can be effectively identified. By comparing it with the identical results of global sensitivity method, the proposed method can be faster in detecting the damage location and more stable under multidamage cases. Since this substructure sensitivity method only needs to update sensitivity matrix in the substructure with relative small number of DOFs, it may save much computation effort and become more efficient.

  4. The development of microtextures and dislocation substructures in naturally deformed olivines from various geological environments

    NARCIS (Netherlands)

    Buiskool Toxopeus, J.M.A.

    1978-01-01

    High voltage electron microscopy and petrofabric analysis techniques are used to distinguish dislocation substructures and preferred orientation patterns of the mineral olivine in naturally deformed peridotites. In order to obtain information over a wide field in which different types of deformation

  5. Quantum Chemical Strain Analysis For Mechanochemical Processes.

    Science.gov (United States)

    Stauch, Tim; Dreuw, Andreas

    2017-03-24

    The use of mechanical force to initiate a chemical reaction is an efficient alternative to the conventional sources of activation energy, i.e., heat, light, and electricity. Applications of mechanochemistry in academic and industrial laboratories are diverse, ranging from chemical syntheses in ball mills and ultrasound baths to direct activation of covalent bonds using an atomic force microscope. The vectorial nature of force is advantageous because specific covalent bonds can be preconditioned for rupture by selective stretching. However, the influence of mechanical force on single molecules is still not understood at a fundamental level, which limits the applicability of mechanochemistry. As a result, many chemists still resort to rules of thumb when it comes to conducting mechanochemical syntheses. In this Account, we show that comprehension of mechanochemistry at the molecular level can be tremendously advanced by quantum chemistry, in particular by using quantum chemical force analysis tools. One such tool is the JEDI (Judgement of Energy DIstribution) analysis, which provides a convenient approach to analyze the distribution of strain energy in a mechanically deformed molecule. Based on the harmonic approximation, the strain energy contribution is calculated for each bond length, bond angle and dihedral angle, thus providing a comprehensive picture of how force affects molecules. This Account examines the theoretical foundations of quantum chemical force analysis and provides a critical overview of the performance of the JEDI analysis in various mechanochemical applications. We explain in detail how this analysis tool is to be used to identify the "force-bearing scaffold" of a distorted molecule, which allows both the rationalization and the optimization of diverse mechanochemical processes. More precisely, we show that the inclusion of every bond, bending and torsion of a molecule allows a particularly insightful discussion of the distribution of mechanical

  6. Structural integrity of Offshore Wind Power Substructures

    OpenAIRE

    Imafidon, Oliver Osazee

    2010-01-01

    Offshore wind turbine structures are now being developed in relatively deep waters with the purpose of capturing and utilizing the strong winds at sea. The structures must be robust in order to resist extreme loads. To be competitive, a cost reduction in fabrication and installation of wind substructures is necessary and the use of high strength steel has been suggested as one way of achieving this through the design of light-weight structures.The thesis gives an overview of offshore wind tur...

  7. Substructurability: the effect of interface location on a real-time dynamic substructuring test

    Science.gov (United States)

    Terkovics, N.; Neild, S. A.; Lowenberg, M.; Szalai, R.; Krauskopf, B.

    2016-08-01

    A full-scale experimental test for large and complex structures is not always achievable. This can be due to many reasons, the most prominent one being the size limitations of the test. Real-time dynamic substructuring is a hybrid testing method where part of the system is modelled numerically and the rest of the system is kept as the physical test specimen. The numerical-physical parts are connected via actuators and sensors and the interface is controlled by advanced algorithms to ensure that the tested structure replicates the emulated system with sufficient accuracy. The main challenge in such a test is to overcome the dynamic effects of the actuator and associated controller, that inevitably introduce delay into the substructured system which, in turn, can destabilize the experiment. To date, most research concentrates on developing control strategies for stable recreation of the full system when the interface location is given a priori. Therefore, substructurability is mostly studied in terms of control. Here, we consider the interface location as a parameter and study its effect on the stability of the system in the presence of delay due to actuator dynamics and define substructurability as the system's tolerance to delay in terms of the different interface locations. It is shown that the interface location has a major effect on the tolerable delays in an experiment and, therefore, careful selection of it is necessary.

  8. Identifying a New Particle with Jet Substructures

    CERN Document Server

    Han, Chengcheng; Kim, Minho; Kong, Kyoungchul; Lim, Sung Hak; Park, Myeonghun

    2016-01-01

    We investigate a potential of determining properties of a new heavy resonance of mass $\\mathcal{O}(1)$ TeV which decays to collimated jets via heavy Standard Model intermediary states, exploiting jet substructure techniques. Employing the $Z$ gauge boson as a concrete example for the intermediary state, we utilize a ``merged jet'' defined by a large jet size to capture the two quarks from its decay. The use of the merged jet benefits the identification of a $Z$-induced jet as a single, reconstructed object without any combinatorial ambiguity. We find that jet substructure procedures may enhance features in some kinematic observables formed with subjet four-momenta extracted from a merged jet. This observation motivates us to feed subjet momenta into the matrix elements associated with plausible hypotheses on the nature of the heavy resonance, which are further processed to construct a matrix element method (MEM)-based observable. For both moderately and highly boosted $Z$ bosons, we demonstrate that the ME...

  9. Substructure of fuzzy dark matter halos

    CERN Document Server

    Du, Xiaolong; Niemeyer, Jens C

    2016-01-01

    We derive the halo mass function (HMF) for fuzzy dark matter (FDM) by solving the excursion set problem explicitly with a mass-dependent barrier function, which has not been done before. We find that compared to the naive approach of the Sheth-Tormen HMF for FDM the one we obtain has a higher cut off mass and the cut off mass change less strongly with redshifts. Using merger trees constructed with a modified version of the Lacey & Cole formalism that accounts for suppressed small scale power and the scale-dependent growth of FDM halos and the semi-analytic Galacticus code, we study the statistics of halo substructure including the effects from dynamical friction and tidal stripping. We find that if the dark matter is a mixture of cold dark matter (CDM) and FDM, there will be a suppression on the halo substructure on small scales which may be able to solve the Missing Satellites Problem faced by the pure CDM model. The suppression becomes stronger with increasing FDM fraction or decreasing FDM mass. Thus i...

  10. Cold Dark Matter Substructure and Galactic Disks

    CERN Document Server

    Kazantzidis, Stelios; Bullock, James S

    2008-01-01

    We perform a set of high-resolution, dissipationless N-body simulations to investigate the influence of cold dark matter (CDM) substructure on the dynamical evolution of thin galactic disks. Our method combines cosmological simulations of galaxy-sized CDM halos to derive the properties of substructure populations and controlled numerical experiments of consecutive subhalo impacts onto initially-thin, fully-formed disk galaxies. We demonstrate that close encounters between massive subhalos and galactic disks since z~1 should be common occurrences in LCDM models. In contrast, extremely few satellites in present-day CDM halos are likely to have a significant impact on the disk structure. One typical host halo merger history is used to seed controlled N-body experiments of subhalo-disk encounters. As a result of these accretion events, the disk thickens considerably at all radii with the disk scale height increasing in excess of a factor of 2 in the solar neighborhood. We show that interactions with the subhalo p...

  11. Substructure of fuzzy dark matter haloes

    Science.gov (United States)

    Du, Xiaolong; Behrens, Christoph; Niemeyer, Jens C.

    2017-02-01

    We derive the halo mass function (HMF) for fuzzy dark matter (FDM) by solving the excursion set problem explicitly with a mass-dependent barrier function, which has not been done before. We find that compared to the naive approach of the Sheth-Tormen HMF for FDM, our approach has a higher cutoff mass and the cutoff mass changes less strongly with redshifts. Using merger trees constructed with a modified version of the Lacey & Cole formalism that accounts for suppressed small-scale power and the scale-dependent growth of FDM haloes and the semi-analytic GALACTICUS code, we study the statistics of halo substructure including the effects from dynamical friction and tidal stripping. We find that if the dark matter is a mixture of cold dark matter (CDM) and FDM, there will be a suppression on the halo substructure on small scales which may be able to solve the missing satellites problem faced by the pure CDM model. The suppression becomes stronger with increasing FDM fraction or decreasing FDM mass. Thus, it may be used to constrain the FDM model.

  12. VALIDATION GUIDELINES FOR LABORATORIES PERFORMING FORENSIC ANALYSIS OF CHEMICAL TERRORISM

    Science.gov (United States)

    The Scientific Working Group on Forensic Analysis of Chemical Terrorism (SWGFACT) has developed the following guidelines for laboratories engaged in the forensic analysis of chemical evidence associated with terrorism. This document provides a baseline framework and guidance for...

  13. A New Method to Quantify X-ray Substructures in Clusters of Galaxies

    CERN Document Server

    Andrade-Santos, Felipe; Laganá, Tatiana Ferraz

    2011-01-01

    We present a new method to quantify substructures in clusters of galaxies, based on the analysis of the intensity of structures. This analysis is done in a residual image that is the result of the subtraction of a surface brightness model, obtained by fitting a two-dimensional analytical model (beta-model or S\\'ersic profile) with elliptical symmetry, from the X-ray image. Our method is applied to 34 clusters observed by the Chandra Space Telescope that are in the redshift range 0.02substructure level with physical quantities, such as the mass, X-ray luminosity, temperature, and cluster redshift. We use our method to separate the clusters in two sub-samples of high and low substructure levels. We conclude, using Monte Carlo simulations, that the method recuperates very well the true amount of substructure for small angular core radii clusters (with respect to the whole image s...

  14. Systems analysis of past, present, and future chemical terrorism scenarios.

    Energy Technology Data Exchange (ETDEWEB)

    Hoette, Trisha Marie

    2012-03-01

    Throughout history, as new chemical threats arose, strategies for the defense against chemical attacks have also evolved. As a part of an Early Career Laboratory Directed Research and Development project, a systems analysis of past, present, and future chemical terrorism scenarios was performed to understand how the chemical threats and attack strategies change over time. For the analysis, the difficulty in executing chemical attack was evaluated within a framework of three major scenario elements. First, historical examples of chemical terrorism were examined to determine how the use of chemical threats, versus other weapons, contributed to the successful execution of the attack. Using the same framework, the future of chemical terrorism was assessed with respect to the impact of globalization and new technologies. Finally, the efficacy of the current defenses against contemporary chemical terrorism was considered briefly. The results of this analysis justify the need for continued diligence in chemical defense.

  15. The Unorthodox Orbits of Substructure Halos

    CERN Document Server

    Ludlow, Aaron D; Springel, Volker; Jenkins, Adrian; Frenk, Carlos S; Helmi, Amina

    2008-01-01

    We use numerical simulations to study the properties of substructure within galaxy-sized dark matter halos. Our study extends previous work by considering the whole population of subhalos physically associated with the main system; these are subhalos that have at some time been within the virial radius of the main progenitor and have survived as self-bound entities to z=0. We find that this population extends beyond three times the virial radius and contains objects on extreme orbits. We trace the origin of these unorthodox orbits to multiple-body interactions acting during the tidal dissociation of bound groups. Multiple-body interactions affect primarily low-mass subhalos and push them onto higher energy orbits, resulting in a strong mass-dependent bias in the spatial distribution and kinematics of associated subhalos: the lower the subhalo mass at accretion time, the less concentrated and kinematically hotter their descendant population. Our findings imply that subhalos identified within the virial radius ...

  16. Factorization for substructures of boosted Higgs jets

    CERN Document Server

    Isaacson, Joshua; Li, Zhao; Yuan, C -P

    2015-01-01

    We present a perturbative QCD factorization formula for substructures of an energetic Higgs jet, taking the energy profile resulting from the $H\\to b\\bar b$ decay as an example. The formula is written as a convolution of a hard Higgs decay kernel with two $b$-quark jet functions and a soft function that links the colors of the two $b$ quarks. We derive an analytical expression to approximate the energy profile within a boosted Higgs jet, which significantly differs from those of ordinary QCD jets. This formalism also extends to boosted $W$ and $Z$ bosons in their hadronic decay modes, allowing an easy and efficient discrimination of fat jets produced from different processes.

  17. Substructure System Identification for Finite Element Model Updating

    Science.gov (United States)

    Craig, Roy R., Jr.; Blades, Eric L.

    1997-01-01

    This report summarizes research conducted under a NASA grant on the topic 'Substructure System Identification for Finite Element Model Updating.' The research concerns ongoing development of the Substructure System Identification Algorithm (SSID Algorithm), a system identification algorithm that can be used to obtain mathematical models of substructures, like Space Shuttle payloads. In the present study, particular attention was given to the following topics: making the algorithm robust to noisy test data, extending the algorithm to accept experimental FRF data that covers a broad frequency bandwidth, and developing a test analytical model (TAM) for use in relating test data to reduced-order finite element models.

  18. Substructuring by Lagrange multipliers for solids and plates

    Energy Technology Data Exchange (ETDEWEB)

    Mandel, J.; Tezaur, R. [Univ. of Colorado, Denver, CO (United States); Farhat, C. [Univ. of Colorado, Boulder, CO (United States)

    1996-12-31

    We present principles and theoreretical foundation of a substructuring method for large structural problems. The algorithm is preconditioned conjugate gradients on a subspace for the dual problem. The preconditioning is proved asymptotically optimal and the method is shown to be parallel scalable, i.e., the condition number is bounded independently of the number of substructures. For plate problems, a special modification is needed that retains continuity of the displacement solution at substructure crosspoints, resulting in an asymptically optimal method. The results are confirmed by numerical experiments.

  19. Signatures of LCDM substructure in tidal debris

    CERN Document Server

    Siegal-Gaskins, Jennifer M

    2007-01-01

    In the past decade, surveys of the stellar component of the Galaxy such as SDSS and 2MASS have revealed a number of stellar streams. Current and future observations are rapidly increasing the precision and quantity of data available, raising the possibility of using tidal streams to constrain the distribution of dark matter in the halo. Simulations of hierarchical structure formation in LCDM cosmologies predict that the dark matter halo of a galaxy like the Milky Way contains a smooth component as well as hundreds of subhalos with masses of ~10^8 solar masses and greater, and it has been suggested that the existence of coherent tidal streams is incompatible with the expected abundance of substructure. We investigate the properties of tidal streams arising from the disruption of satellites in a variety of dark matter halo models. In general, we find that the halo shape and the specific orbital path more strongly determine the degree of disruption of the satellite than does the presence or absence of substructu...

  20. Is there substructure around M87?

    Science.gov (United States)

    Oldham, L. J.; Evans, N. W.

    2016-10-01

    We present a general method to identify infalling substructure in discrete data sets with position and line-of-sight velocity data. We exploit the fact that galaxies falling on to a brightest cluster galaxy (BCG) in a virialized cluster, or dwarf satellites falling on to a central galaxy like the Milky Way, follow nearly radial orbits. If the orbits are exactly radial, we show how to find the probability distribution for a satellite's energy, given a tracer density for the satellite population, by solving an Abel integral equation. This is an extension of Eddington's classical formula for the isotropic distribution function. When applied to a system of galaxies, clustering in energy space can then be quantified using the Kullback-Leibler divergence, and groups of objects can be identified which, though separated in the sky, may be falling in on the same orbit. This method is tested using mock data and applied to the satellite galaxy population around M87, the BCG in Virgo, and a number of associations that are found, which may represent infalling galaxy groups.

  1. Substructures formation induced by gravitational tides?

    CERN Document Server

    Renaud, F; Naab, T; Boily, C M

    2009-01-01

    Physics lectures always refer to the tides as a disruptive effect. However, tides can also be compressive. When the potential of two galaxies overlap, as happens during a merger, fully compressive tides can develop and have a strong impact on the dynamics of substructures such as star clusters or tidal dwarf galaxies. Using N-body simulations of a large set of mergers, we noticed the importance of these tidal modes at cluster scale. With a model of the Antennae galaxies, we conclude that the positions and timescales of these tidal modes match the actual distribution of young clusters. A detailed study of the statistics of the compressive tides shows a stunning correlation between this purely gravitational effect and the observed properties of the star clusters. In this contribution, we introduce the concept of compressive tide and show its relevance in the special case of the Antennae galaxies. We extend our conclusions to a broad range of parameters and discuss their implications on several critical points s...

  2. A new interface element for connecting independently modeled substructures

    Science.gov (United States)

    Ransom, Jonathan B.; Mccleary, Susan L.; Aminpour, Mohammad A.

    1993-01-01

    A new interface element based on the hybrid variational formulation is presented and demonstrated. The element provides a means of connecting independently modeled substructures whose nodes along the common boundary need not be coincident. The interface element extends previous work to include connecting an arbitrary number of substructures, the use of closed and generally curved interfaces, and the use of multiple, possibly nested, interfaces. Several applications of the element are presented and aspects of the implementation are discussed.

  3. THE SEGUE K GIANT SURVEY. III. QUANTIFYING GALACTIC HALO SUBSTRUCTURE

    Energy Technology Data Exchange (ETDEWEB)

    Janesh, William; Morrison, Heather L.; Ma, Zhibo; Harding, Paul [Department of Astronomy, Case Western Reserve University, Cleveland, OH 44106 (United States); Rockosi, Constance [UCO/Lick Observatory, University of California, Santa Cruz, 1156 High Street, Santa Cruz, CA 95064 (United States); Starkenburg, Else [Department of Physics and Astronomy, University of Victoria, P.O. Box 1700, STN CSC, Victoria BC V8W 3P6 (Canada); Xue, Xiang Xiang; Rix, Hans-Walter [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany); 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); Johnson, Jennifer [Department of Astronomy, Ohio State University, 140 West 18th Avenue, Columbus, OH 43210 (United States); Lee, Young Sun [Department of Astronomy and Space Science, Chungnam National University, Daejeon 34134 (Korea, Republic of); Schneider, Donald P. [Department of Astronomy and Astrophysics, The Pennsylvania State University, University Park, PA 16802 (United States)

    2016-01-10

    We statistically quantify the amount of substructure in the Milky Way stellar halo using a sample of 4568 halo K giant stars at Galactocentric distances ranging over 5–125 kpc. These stars have been selected photometrically and confirmed spectroscopically as K giants from the Sloan Digital Sky Survey’s Sloan Extension for Galactic Understanding and Exploration project. Using a position–velocity clustering estimator (the 4distance) and a model of a smooth stellar halo, we quantify the amount of substructure in the halo, divided by distance and metallicity. Overall, we find that the halo as a whole is highly structured. We also confirm earlier work using blue horizontal branch (BHB) stars which showed that there is an increasing amount of substructure with increasing Galactocentric radius, and additionally find that the amount of substructure in the halo increases with increasing metallicity. Comparing to resampled BHB stars, we find that K giants and BHBs have similar amounts of substructure over equivalent ranges of Galactocentric radius. Using a friends-of-friends algorithm to identify members of individual groups, we find that a large fraction (∼33%) of grouped stars are associated with Sgr, and identify stars belonging to other halo star streams: the Orphan Stream, the Cetus Polar Stream, and others, including previously unknown substructures. A large fraction of sample K giants (more than 50%) are not grouped into any substructure. We find also that the Sgr stream strongly dominates groups in the outer halo for all except the most metal-poor stars, and suggest that this is the source of the increase of substructure with Galactocentric radius and metallicity.

  4. Analysis, synthesis and design of chemical processes

    Energy Technology Data Exchange (ETDEWEB)

    Turton, R. [West Virginia Univ., Morgantown, WV (United States); Bailie, R.C.; Whiting, W.B.

    1998-12-31

    The book illustrates key concepts through a running example from the real world: the manufacture of benzene; covers design, economic considerations, troubleshooting and health/environmental safety; and includes exclusive software for estimating chemical manufacturing equipment capital costs. This book will help chemical engineers optimize the efficiency of production processes, by providing both a philosophical framework and detailed information about chemical process design. Design is the focal point of the chemical engineering practice. This book helps engineers and senior-level students hone their design skills through process design rather than simply plant design. It introduces all the basics of process simulation. Learn how to size equipment, optimize flowsheets, evaluate the economics of projects, and plan the operation of processes. Learn how to use Process Flow Diagrams; choose the operating conditions for a process; and evaluate the performance of existing processes and equipment. Finally, understand how chemical process design impacts health, safety, the environment and the community.

  5. The Aspen Framework for Dark Matter Substructure Inference from Strong Gravitational Lensing Observations

    Science.gov (United States)

    Moustakas, Leonidas A.; Cyr-Racine, Francis-Yan; Keeton, Charles R.

    2016-01-01

    The properties of the dark matter particle or particles lead to different small scale halo populations, distributions, and evolution over cosmic time. We introduce a new method for characterizing the properties of substructure within galaxies through the power spectrum of potential fluctuations, and demonstrate how complete sets of multiwavelength imaging and time domain observations can be processed directly to infer all facets of the strong gravitational lensing components and source properties, including the dark matter substructure power spectrum constraints. We are able to take advantage of analysis parallels with cosmic background radiation techniques, and furthermore demonstrate how this technique, dubbed The Aspen Framework, reduces to the long-standing approach of working with reduced or derived observable quantities in lensing.

  6. Ring and jet study on the azimuthal substructure of pions at CERN SPS energy

    Indian Academy of Sciences (India)

    Prabir Kumar Haldar; Sanjib Kumar Manna; Prosenjit Saha; Dipak Ghosh

    2013-04-01

    We have presented an investigation on the ring- and jet-like azimuthal angle sub-structures in the emission of secondary charged hadrons coming from 32S–Ag/Br interactions at 200 A GeV/c. Nuclear photographic emulsion technique has been employed to collect the experimental data. The presence of such substructures, their average behaviour, their size, and their position of occurrence have been examined. The experimental results have also been compared with the results simulated by Monte-Carlo method. The analysis strongly indicates the presence of ring- and jet-like structures in the experimental distributions of particles beyond statistical noise. The experimental results are in good agreement with I M Dremin idea, that the phenomenon is similar to the emission of Cherenkov electromagnetic radiation.

  7. Jet substructure and probes of CP violation in Vh production

    CERN Document Server

    Godbole, Rohini M; Mohan, Kirtimaan A; White, Christopher D

    2014-01-01

    We analyse the hVV (V = W, Z) vertex in a model independent way using Vh production. To that end , we consider possible corrections to the Standard Model Higgs Lagrangian, in the form of higher dimensional operators which parametrise the effects of new physics. In our analysis, we pay special attention to linear observables that can be used to probe CP violation in the same. By considering the associated production of a Higgs boson with a vector boson (W or Z), we use jet substructure methods to define angular observables which are sensitive to new physics effects, including an asymmetry which is linearly sensitive to the presence of CP odd effects. We demonstrate how to use these observables to place bounds on the presence of higher dimensional operators, and quantify these statements using a log likelihood analysis. Our approach allows one to probe separately the hZZ and hWW vertices, involving arbitrary combinations of BSM operators, at the Large Hadron Collider.

  8. Chemical Engineering Data Analysis Made Easy with DataFit

    Science.gov (United States)

    Brenner, James R.

    2006-01-01

    The outline for half of a one-credit-hour course in analysis of chemical engineering data is presented, along with a range of typical problems encountered later on in the chemical engineering curriculum that can be used to reinforce the data analysis skills learned in the course. This mini course allows students to be exposed to a variety of ChE…

  9. Indirect Inverse Substructuring Method for Multibody Product Transport System with Rigid and Flexible Coupling

    Directory of Open Access Journals (Sweden)

    Jun Wang

    2015-01-01

    Full Text Available The aim of this paper is to develop a new frequency response function- (FRF- based indirect inverse substructuring method without measuring system-level FRFs in the coupling DOFs for the analysis of the dynamic characteristics of a three-substructure coupled product transport system with rigid and flexible coupling. By enforcing the dynamic equilibrium conditions at the coupling coordinates and the displacement compatibility conditions, a closed-form analytical solution to inverse substructuring analysis of multisubstructure coupled product transport system is derived based on the relationship of easy-to-monitor component-level FRFs and the system-level FRFs at the coupling coordinates. The proposed method is validated by a lumped mass-spring-damper model, and the predicted coupling dynamic stiffness is compared with the direct computation, showing exact agreement. The method developed offers an approach to predict the unknown coupling dynamic stiffness from measured FRFs purely. The suggested method may help to obtain the main controlling factors and contributions from the various structure-borne paths for product transport system.

  10. Exploring Milkyway Halo Substructures with Large-Area Sky Surveys

    Energy Technology Data Exchange (ETDEWEB)

    Li, Ting [Texas A & M Univ., College Station, TX (United States)

    2016-01-01

    Over the last two decades, our understanding of the Milky Way has been improved thanks to large data sets arising from large-area digital sky surveys. The stellar halo is now known to be inhabited by a variety of spatial and kinematic stellar substructures, including stellar streams and stellar clouds, all of which are predicted by hierarchical Lambda Cold Dark Matter models of galaxy formation. In this dissertation, we first present the analysis of spectroscopic observations of individual stars from the two candidate structures discovered using an M-giant catalog from the Two Micron All-Sky Survey. The follow-up observations show that one of the candidates is a genuine structure which might be associated with the Galactic Anticenter Stellar Structure, while the other one is a false detection due to the systematic photometric errors in the survey or dust extinction in low Galactic latitudes. We then presented the discovery of an excess of main sequence turn-off stars in the direction of the constellations of Eridanus and Phoenix from the first-year data of the Dark Energy Survey (DES) – a five-year, 5,000 deg2 optical imaging survey in the Southern Hemisphere. The Eridanus-Phoenix (EriPhe) overdensity is centered around l ~ 285° and b ~ -60° and the Poisson significance of the detection is at least 9σ. The EriPhe overdensity has a cloud-like morphology and the extent is at least ~ 4 kpc by ~ 3 kpc in projection, with a heliocentric distance of about d ~ 16 kpc. The EriPhe overdensity is morphologically similar to the previously-discovered Virgo overdensity and Hercules-Aquila cloud. These three overdensities lie along a polar plane separated by ~ 120° and may share a common origin. In addition to the scientific discoveries, we also present the work to improve the photometric calibration in DES using auxiliary calibration systems, since the photometric errors can cause false detection in first the halo substructure. We present a detailed description of the two

  11. Substructures developed during creep and cyclic tests of type 304 stainless steel (heat 9T2796)

    Energy Technology Data Exchange (ETDEWEB)

    Swindeman, R.W.; Bhargava, R.K.; Sikka, V.K.; Moteff, J.

    1977-09-01

    Substructures developed in tested specimens of a reference heat of type 304 stainless steel (heat 9T2796) are examined. Data include dislocation densities, cell and subgrain sizes, and carbide precipitate sizes. Testing conditions range for temperatures from 482 to 649/sup 0/C, for stresses from 28 to 241 MPa, and for times from 4 to 15,000 hr. As expected, it is observed that temperature, stress, and time have strong influences on substructure. The change in the dislocation density is too small to measure for conditions which produce less than 1 percent monotonic strain. No cells form, and the major alteration of substructure is the precipitation of M/sub 23/C/sub 6/ carbides on grain boundaries, on twin boundaries, and on some dislocations. At stresses ranging from 69 to 172 MPa and at temperatures ranging from 482 to 593/sup 0/C, the dislocation density increases with increasing stress and is generally higher than expected from studies made at higher temperatures. Dislocations are arranged in fine networks stabilized by carbides. At stresses above 172 MPa and temperatures to 649/sup 0/C, the dislocation density is too great to measure. Cells develop which are finer in size than cells developed at similar stresses but at higher temperatures. Dislocation densities and cell sizes for cyclic specimens are comparable to data for creep-tested specimens. On the basis of the observed substructures, recommendations are made regarding further studies which would assist in the development of constitutive equations for high-temperature inelastic analysis of reactor components.

  12. The SEGUE K Giant Survey. III. Quantifying Galactic Halo Substructure

    CERN Document Server

    Janesh, William; Ma, Zhibo; Harding, Paul; Rockosi, Constance; Starkenburg, Else; Xue, Xiang Xiang; Rix, Hans-Walter; Beers, Timothy C; Johnson, Jennifer; Lee, Young Sun; Schneider, Donald P

    2015-01-01

    We statistically quantify the amount of substructure in the Milky Way stellar halo using a sample of 4568 halo K giant stars at Galactocentric distances ranging over 5-125 kpc. These stars have been selected photometrically and confirmed spectroscopically as K giants from the Sloan Digital Sky Survey's SEGUE project. We use a position-velocity clustering estimator (the 4distance) and a smooth stellar halo model to quantify the amount of substructure in the halo. Overall, we find that the halo as a whole is highly structured, and confirm earlier work using BHB stars which showed that there is an increasing amount of substructure with increasing Galactocentric radius. In addition, we find that the amount of substructure in the halo increases with increasing metallicity, and that the K giant sample shows significantly stronger substructure than the BHB stars, which only sample the most metal poor stars. Using a friends-of-friends algorithm to identify groups, we find that a large fraction ($\\sim 33\\%$) of the st...

  13. Dynamic substructure model for multiple impact responses of micro/nano piezoelectric precision drive system

    Institute of Scientific and Technical Information of China (English)

    SHEN YuNian; YIN XiaoChun

    2009-01-01

    A dynamic substructure technique which considers the electromechanlcal coupling effect of the PZT and the inertial effect of flexible components is presented to study the multiple impact dynamic be-havior of micro/nano piezoelectric impact drive systems. It can investigate the step-like motion of ob-ject body and the multiple impacts behaviors reasonably by the comparison of the experimental data and the numerical solution of the spring-mass model. It is expected to have higher accuracy in the numerical simulations of the motion and the responses, especially to high frequency pulse voltage excitations. The present dynamic substructure technique has firstly studied reasonably the propaga-tions of piezoelectric-induced transient waves and impact-induced transient waves. It is helpful to the failure analysis and the design of piezoelectric stack and flexible components. The present dynamic substructure technique can be applied to the transient dynamics optimization design and the precision control of the micro/nano piezoelectric impact drive systems.

  14. Major Substructure in the M31 Outer Halo: the East Cloud

    CERN Document Server

    McMonigal, B; Conn, A R; Mackey, A D; Lewis, G F; Irwin, M J; Martin, N F; McConnachie, A W; Ferguson, A M N; Ibata, R A; Huxor, A P

    2015-01-01

    We present the first detailed analysis of the East Cloud, a highly disrupted diffuse stellar substructure in the outer halo of M31. The core of the substructure lies at a projected distance of $\\sim100$ kpc from the centre of M31 in the outer halo, with possible extensions reaching right into the inner halo. Using Pan-Andromeda Archaeological Survey photometry of red giant branch stars, we measure the distance, metallicity and brightness of the cloud. Using Hubble Space Telescope data, we independently measure the distance and metallicity to the two globular clusters coincident with the East Cloud core, PA-57 and PA-58, and find their distances to be consistent with the cloud. Four further globular clusters coincident with the substructure extensions are identified as potentially associated. Combining the analyses, we determine a distance to the cloud of $814^{+20}_{-9}$ kpc, a metallicity of $[Fe/H] = -1.2\\pm0.1$, and a brightness of $M_V = -10.7\\pm0.4$ mag. Even allowing for the inclusion of the potential e...

  15. Dynamic substructure model for multiple impact responses of micro/nano piezoelectric precision drive system

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    A dynamic substructure technique which considers the electromechanical coupling effect of the PZT and the inertial effect of flexible components is presented to study the multiple impact dynamic be- havior of micro/nano piezoelectric impact drive systems. It can investigate the step-like motion of ob- ject body and the multiple impacts behaviors reasonably by the comparison of the experimental data and the numerical solution of the spring-mass model. It is expected to have higher accuracy in the numerical simulations of the motion and the responses, especially to high frequency pulse voltage excitations. The present dynamic substructure technique has firstly studied reasonably the propaga- tions of piezoelectric-induced transient waves and impact-induced transient waves. It is helpful to the failure analysis and the design of piezoelectric stack and flexible components. The present dynamic substructure technique can be applied to the transient dynamics optimization design and the precision control of the micro/nano piezoelectric impact drive systems.

  16. Current trends of the development of chemical analysis

    Directory of Open Access Journals (Sweden)

    Rema Matakova

    2014-12-01

    Full Text Available This paper presents dynamics of the development of all stages of chemical analysis during last 15 years. The ways of the quality improvement of chemical analysis and its considerable advancement into the field of trace concentrations of substances are shown. Features of development of analytical methods, modern techniques for concentration and separation of substances, as well as chemomerrical processing of results are analyzed. Huge importance of computerization and automation of the analysis is shown.

  17. Textual and chemical information processing: different domains but similar algorithms

    Directory of Open Access Journals (Sweden)

    Peter Willett

    2000-01-01

    Full Text Available This paper discusses the extent to which algorithms developed for the processing of textual databases are also applicable to the processing of chemical structure databases, and vice versa. Applications discussed include: an algorithm for distribution sorting that has been applied to the design of screening systems for rapid chemical substructure searching; the use of measures of inter-molecular structural similarity for the analysis of hypertext graphs; a genetic algorithm for calculating term weights for relevance feedback searching for determining whether a molecule is likely to exhibit biological activity; and the use of data fusion to combine the results of different chemical similarity searches.

  18. Chemical Diversity, Origin, and Analysis of Phycotoxins

    DEFF Research Database (Denmark)

    Rasmussen, Silas Anselm; Andersen, Aaron John Christian; Andersen, Nikolaj Gedsted;

    2016-01-01

    Microalgae, particularly those from the lineage Dinoflagellata, are very well-known for their ability to produce phycotoxins that may accumulate in the marine food chain and eventually cause poisoning in humans. This includes toxins accumulating in shellfish, such as saxitoxin, okadaic acid......, yessotoxins, azaspiracids, brevetoxins, and pinnatoxins. Other toxins, such as ciguatoxins and maitotoxins, accumulate in fish, where, as is the case for the latter compounds, they can be metabolized to even more toxic metabolites. On the other hand, much less is known about the chemical nature of compounds...... complex natural compounds known to mankind, with chemical structures that show no resemblance to what has been characterized from plants, fungi, or bacteria. In addition, it will summarize algal species known to be related to fish-killing blooms, but from which ichthyotoxins are yet to be characterized....

  19. Quantifying chemical reactions by using mixing analysis.

    Science.gov (United States)

    Jurado, Anna; Vázquez-Suñé, Enric; Carrera, Jesús; Tubau, Isabel; Pujades, Estanislao

    2015-01-01

    This work is motivated by a sound understanding of the chemical processes that affect the organic pollutants in an urban aquifer. We propose an approach to quantify such processes using mixing calculations. The methodology consists of the following steps: (1) identification of the recharge sources (end-members) and selection of the species (conservative and non-conservative) to be used, (2) identification of the chemical processes and (3) evaluation of mixing ratios including the chemical processes. This methodology has been applied in the Besòs River Delta (NE Barcelona, Spain), where the River Besòs is the main aquifer recharge source. A total number of 51 groundwater samples were collected from July 2007 to May 2010 during four field campaigns. Three river end-members were necessary to explain the temporal variability of the River Besòs: one river end-member is from the wet periods (W1) and two are from dry periods (D1 and D2). This methodology has proved to be useful not only to compute the mixing ratios but also to quantify processes such as calcite and magnesite dissolution, aerobic respiration and denitrification undergone at each observation point.

  20. Tribology analysis of chemical-mechanical polishing

    Energy Technology Data Exchange (ETDEWEB)

    Runnels, S.R.; Eyman, L.M. (Sematech, Austin, TX (United States))

    1994-06-01

    To better understand the variation of material removal rate on a wafer during chemical-mechanical polishing (CMP), knowledge of the stress distribution on the wafer surface is required. The difference in wafer-surface stress distributions could be considerable depending on whether or not the wafer hydroplanes during polishing. This study analyzes the fluid film between the wafer and pad and demonstrates that hydroplaning is possible for standard CMP processes. The importance of wafer curvature, slurry viscosity, and rotation speed on the thickness of the fluid film is also demonstrated.

  1. Substructure method in high-speed monorail dynamic problems

    Science.gov (United States)

    Ivanchenko, I. I.

    2008-12-01

    combined schemes modeling a strained elastic compound moving structure and a monorail elevated track. The problems of development of methods for dynamic analysis of monorails are very topical, especially because of increasing speeds of the rolling stock motion. These structures are studied in [16-18]. In the present paper, the above problem is solved by using the method for the moving load analysis and a step procedure of integration with respect to time, which were proposed in [9, 19], respectively. Further, these components are used to enlarge the possibilities of the substructure method in problems of dynamics. In the approach proposed for moving load analysis of structures, for a substructure (having the shape of a boundary element or a superelement) we choose an object moving at a constant speed (a monorail rolling stock); in this case, we use rod boundary elements of large length, which are gathered in a system modeling these objects. In particular, sets of such elements form a model of a monorail rolling stock, namely, carriage hulls, wheeled carts, elements of the wheel spring suspension, models of continuous beams of monorail ways and piers with foundations admitting emergency subsidence and unilateral links. These specialized rigid finite elements with linear and nonlinear links, included into the set of earlier proposed finite elements [14, 19], permit studying unsteady vibrations in the "monorail train-elevated track" (MTET) system taking into account various irregularities on the beam-rail, the pier emergency subsidence, and their elastic support by the basement. In this case, a high degree of the structure spatial digitization is obtained by using rods with distributed parameters in the analysis. The displacements are approximated by linear functions and trigonometric Fourier series, which, as was already noted, permits increasing the number of degrees of freedom of the system under study simultaneously preserving the order of the resolving system of

  2. Floating substructure flexibility of large-volume 10MW offshore wind turbine platforms in dynamic calculations

    DEFF Research Database (Denmark)

    Borg, Michael; Hansen, Anders Melchior; Bredmose, Henrik

    2016-01-01

    Designing floating substructures for the next generation of 10MW and larger wind turbines has introduced new challenges in capturing relevant physical effects in dynamic simulation tools. In achieving technically and economically optimal floating substructures, structural flexibility may increase...

  3. Biologically relevant chemical space navigator: from patent and structure-activity relationship analysis to library acquisition and design.

    Science.gov (United States)

    Rabal, Obdulia; Oyarzabal, Julen

    2012-12-21

    A new and versatile visualization tool, based on a descriptor accounting for ligand-receptor interactions (LiRIf), is introduced for guiding medicinal chemists in analyzing the R-groups from a congeneric series. Analysis is performed in a reference-independent scenario where the whole biologically relevant chemical space (BRCS) is represented. Using a real project-based data set, we show the impact of this tool on four key navigation strategies for the drug discovery process. First, this navigator analyzes competitors' patents, including a comparison of patents coverage and the identification of the most frequent fragments. Second, the tool analyzes the structure-activity relationship (SAR) leading to the representation of reference-independent activity landscapes that enable the identification not only of critical ligand-receptor interactions (LRI) and substructural features but also of activity cliffs. Third, this navigator enables comparison of libraries, thus selecting commercially available molecules that complement unexplored spaces or areas of interest. Finally, this tool also enables the design of new analogues, which is based on reaction types and the exploration purpose (focused or diverse), selecting the most appropriate reagents.

  4. Substructure in the Stellar Halos of the Aquarius Simulations

    NARCIS (Netherlands)

    Helmi, Amina; Cooper, A. P.; White, S. D. M.; Cole, S.; Frenk, C. S.; Navarro, J. F.

    2011-01-01

    We characterize the substructure in the simulated stellar halos of Cooper et al. which were formed by the disruption of satellite galaxies within the cosmological N-body simulations of galactic halos of the Aquarius project. These stellar halos exhibit a wealth of tidal features: broad overdensities

  5. Small scale substructure, collapse time and dynamical friction

    CERN Document Server

    Gambera, M

    1996-01-01

    We solve numerically the equations of motion for the collapse of a shell of baryonic matter, made of galaxies and substructure of $ 10^{6} M_{\\odot} \\div 10^{9} M_{\\odot}$, taking into account the dynamical friction and the parameters on which it depends: the peaks' height $\

  6. Analysis of blood spots for polyfluoroalkyl chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Kayoko; Wanigatunga, Amal A.; Needham, Larry L. [Division of Laboratory Sciences, National Center for Environmental Health, Centers for Disease Control and Prevention, Atlanta, GA (United States); Calafat, Antonia M., E-mail: acalafat@cdc.gov [Division of Laboratory Sciences, National Center for Environmental Health, Centers for Disease Control and Prevention, Atlanta, GA (United States)

    2009-12-10

    Polyfluoroalkyl chemicals (PFCs) have been detected in humans, in the environment, and in ecosystems around the world. The potential for developmental and reproductive toxicities of some PFCs is of concern especially to children's health. In the United States, a sample of a baby's blood, called a 'dried blood spot' (DBS), is obtained from a heel stick within 48 h of a child's birth. DBS could be useful for assessing prenatal exposure to PFCs. We developed a method based on online solid phase extraction coupled with high performance liquid chromatography-isotope dilution tandem mass spectrometry for measuring four PFCs in DBS, perfluorooctane sulfonate (PFOS), perfluorohexane sulfonate, perfluorooctanoate (PFOA), and perfluorononanoate. The analytical limits of detection using one whole DBS ({approx}75 {mu}L of blood) were <0.5 ng mL{sup -1}. To validate the method, we analyzed 98 DBS collected in May 2007 in the United States. PFOS and PFOA were detected in all DBS at concentrations in the low ng mL{sup -1} range. These data suggest that DBS may be a suitable matrix for assessing perinatal exposure to PFCs, but additional information related to sampling and specimen storage is needed to demonstrate the utility of these measures for assessing exposure.

  7. Surface chemical composition analysis of heat-treated bamboo

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Fan-dan, E-mail: fandan_meng@163.com [MOE Key Laboratory of Wooden Material Science and Application, Beijing Forestry University, 35 Qinghua East Road, Haidian District, Beijing 100083 (China); Yu, Yang-lun, E-mail: yuyanglun@caf.ac.cn [Research Institute of Wood Industry, Chinese Academy of Forestry, No 1 Dongxiaofu, Haidian District, Beijing 100091 (China); Zhang, Ya-mei, E-mail: zhangyamei@caf.ac.cn [Research Institute of Wood Industry, Chinese Academy of Forestry, No 1 Dongxiaofu, Haidian District, Beijing 100091 (China); Yu, Wen-ji, E-mail: yuwenji@caf.ac.cn [Research Institute of Wood Industry, Chinese Academy of Forestry, No 1 Dongxiaofu, Haidian District, Beijing 100091 (China); Gao, Jian-min, E-mail: gaojm@bjfu.edu.cn [MOE Key Laboratory of Wooden Material Science and Application, Beijing Forestry University, 35 Qinghua East Road, Haidian District, Beijing 100083 (China)

    2016-05-15

    Highlights: • Investigate the detailed chemical components contents change of bamboo due to heating. • Chemical analysis of bamboo main components during heating. • Identify the connection between the oxygen to carbon atomic ratio changes and chemical degradation. - Abstract: In this study, the effect of heat treatment on the chemical composition of bamboo slivers was studied. The chemical properties of the samples were examined by chemical analysis. Results showed a decrease in the contents of holocellulose and α-cellulose, as well as an increase in the contents of lignin and extractives. Changes in the chemical structure of bamboo components were analyzed by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). FTIR spectroscopy results indicated that hemicellulose contents decrease, whereas lignin contents increase after heat treatment. Ester formation linked to lignin decreased the hygroscopicity of the bamboo samples and consequently improved their dimensional stability and durability. XPS spectroscopy results showed that hemicelluloses and celluloses are relatively more sensitive to the heating process than lignin. As a consequence, hemicellulose and cellulose contents decreased, whereas lignin contents increased during heat treatment. The results obtained in this study provide useful information for the future utilization of heat-treated bamboo.

  8. Arrays in biological and chemical analysis

    DEFF Research Database (Denmark)

    Christensen, Claus Bo Vöge

    2002-01-01

    Recently a dramatic change has happened for biological and biochemical analysis. Originally developed as an academic massive parallel screening tool, industry has caught the idea as well of performing all kinds of assays in the new format of microarrays. From food manufacturers over water supply...... plants to the omnipresent pharmaceutical industry, the buzz-word is bioarrays, attracting scientific funding and investor capital. Although only few commercial products are currently out in the research laboratorium, hospital clinic or at the local doctor, there are high expectations for arrays screening...... predispositions and following therapy, monitoring the amount of bacteria in food stuff, measuring the small signs from cardiac arrest before it happens, analysing the toxin level in a water sample (preferentially on-line) or deciphering the identity of an infecting bug. (C) 2002 Elsevier Science B.V. All rights...

  9. Appendix C. Collection of Samples for Chemical Agent Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Koester, C; Thompson, C; Doerr, T; Scripsick, R

    2005-09-23

    This chapter describes procedures for the collection and analysis of samples of various matrices for the purpose of determining the presence of chemical agents in a civilian setting. This appendix is intended to provide the reader with sufficient information to make informed decisions about the sampling and analysis process and to suggest analytical strategies that might be implemented by the scientists performing sampling and analysis. This appendix is not intended to be used as a standard operating procedure to provide detailed instructions as to how trained scientists should handle samples. Chemical agents can be classified by their physical and chemical properties. Table 1 lists the chemical agents considered by this report. In selecting sampling and analysis methods, we have considered procedures proposed by the Organization for Prohibition of Chemical Weapons (OPCW), the U. S. Environmental Protection Agency (EPA), and peer-reviewed scientific literature. EPA analytical methods are good resources describing issues of quality assurance with respect to chain-of-custody, sample handling, and quality control requirements.

  10. Black tea: chemical analysis and stability.

    Science.gov (United States)

    Li, Shiming; Lo, Chih-Yu; Pan, Min-Hsiung; Lai, Ching-Shu; Ho, Chi-Tang

    2013-01-01

    Tea is the most popular flavored and functional drink worldwide. The nutritional value of tea is mostly from the tea polyphenols that are reported to possess a broad spectrum of biological activities, including anti-oxidant properties, reduction of various cancers, inhibition of inflammation, and protective effects against diabetes, hyperlipidemia and obesity. Tea polyphenols include catechins and gallic acid in green and white teas, and theaflavins and thearubigins as well as other catechin polymers in black and oolong teas. Accurate analysis of black tea polyphenols plays a significant role in the identification of black tea contents, quality control of commercial tea beverages and extracts, differentiation of various contents of theaflavins and catechins and correlations of black tea identity and quality with biological activity, and most importantly, the establishment of the relationship between quantitative tea polyphenol content and its efficacy in animal or human studies. Global research in tea polyphenols has generated much in vitro and in vivo data rationally correlating tea polyphenols with their preventive and therapeutic properties in human diseases such as cancer, and metabolic and cardiovascular diseases etc. Based on these scientific findings, numerous tea products have been developed including flavored tea drinks, tea-based functional drinks, tea extracts and concentrates, and dietary supplements and food ingredients, demonstrating the broad applications of tea and its extracts, particularly in the field of functional food.

  11. Floating substructure flexibility of large-volume 10MW offshore wind turbine platforms in dynamic calculations

    Science.gov (United States)

    Borg, Michael; Melchior Hansen, Anders; Bredmose, Henrik

    2016-09-01

    Designing floating substructures for the next generation of 10MW and larger wind turbines has introduced new challenges in capturing relevant physical effects in dynamic simulation tools. In achieving technically and economically optimal floating substructures, structural flexibility may increase to the extent that it becomes relevant to include in addition to the standard rigid body substructure modes which are typically described through linear radiation-diffraction theory. This paper describes a method for the inclusion of substructural flexibility in aero-hydro-servo-elastic dynamic simulations for large-volume substructures, including wave-structure interactions, to form the basis of deriving sectional loads and stresses within the substructure. The method is applied to a case study to illustrate the implementation and relevance. It is found that the flexible mode is significantly excited in an extreme event, indicating an increase in predicted substructure internal loads.

  12. A review of chemical gradient systems for cell analysis.

    Science.gov (United States)

    Somaweera, Himali; Ibraguimov, Akif; Pappas, Dimitri

    2016-02-11

    Microfluidic spatial and temporal gradient generators have played an important role in many biological assays such as in the analysis of wound healing, inflammation, and cancer metastasis. Chemical gradient systems can also be applied to other fields such as drug design, chemical synthesis, chemotaxis, etc. Microfluidic systems are particularly amenable to gradient formation, as the length scales used in chips enable fluid processes that cannot be conducted in bulk scale. In this review we discuss new microfluidic devices for gradient generation and applications of those systems in cell analysis.

  13. ANALYSIS OF SAMPLES FROM TANK 5F CHEMICAL CLEANING

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, M.; Fink, S.

    2011-03-07

    The Savannah River Site (SRS) is preparing Tank 5F for closure. The first step in preparing the tank for closure is mechanical sludge removal. Following mechanical sludge removal, SRS performed chemical cleaning with oxalic acid to remove the sludge heel. Personnel are currently assessing the effectiveness of the chemical cleaning. SRS personnel collected liquid samples during chemical cleaning and submitted them to Savannah River National Laboratory (SRNL) for analysis. Following chemical cleaning, they collected a solid sample (also known as 'process sample') and submitted it to SRNL for analysis. The authors analyzed these samples to assess the effectiveness of the chemical cleaning process. The conclusions from this work are: (1) With the exception of iron, the dissolution of sludge components from Tank 5F agreed with results from the actual waste demonstration performed in 2007. The fraction of iron removed from Tank 5F by chemical cleaning was significantly less than the fraction removed in the SRNL demonstrations. The likely cause of this difference is the high pH following the first oxalic acid strike. (2) Most of the sludge mass remaining in the tank is iron and nickel. (3) The remaining sludge contains approximately 26 kg of barium, 37 kg of chromium, and 37 kg of mercury. (4) Most of the radioactivity remaining in the residual material is beta emitters and {sup 90}Sr. (5) The chemical cleaning removed more than {approx} 90% of the uranium isotopes and {sup 137}Cs. (6) The chemical cleaning removed {approx} 70% of the neptunium, {approx} 83% of the {sup 90}Sr, and {approx} 21% of the {sup 60}Co. (7) The chemical cleaning removed less than 10% of the plutonium, americium, and curium isotopes. (8) The chemical cleaning removed more than 90% of the aluminium, calcium, and sodium from the tank. (9) The cleaning operations removed 61% of lithium, 88% of non-radioactive strontium, and 65% of zirconium. The {sup 90}Sr and non-radioactive strontium were

  14. Surface chemical composition analysis of heat-treated bamboo

    Science.gov (United States)

    Meng, Fan-dan; Yu, Yang-lun; Zhang, Ya-mei; Yu, Wen-ji; Gao, Jian-min

    2016-05-01

    In this study, the effect of heat treatment on the chemical composition of bamboo slivers was studied. The chemical properties of the samples were examined by chemical analysis. Results showed a decrease in the contents of holocellulose and α-cellulose, as well as an increase in the contents of lignin and extractives. Changes in the chemical structure of bamboo components were analyzed by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). FTIR spectroscopy results indicated that hemicellulose contents decrease, whereas lignin contents increase after heat treatment. Ester formation linked to lignin decreased the hygroscopicity of the bamboo samples and consequently improved their dimensional stability and durability. XPS spectroscopy results showed that hemicelluloses and celluloses are relatively more sensitive to the heating process than lignin. As a consequence, hemicellulose and cellulose contents decreased, whereas lignin contents increased during heat treatment. The results obtained in this study provide useful information for the future utilization of heat-treated bamboo.

  15. Gradient Bundle Analysis: A Full Topological Approach to Chemical Bonding

    CERN Document Server

    Morgenstern, Amanda

    2016-01-01

    The "chemical bond" is a central concept in molecular sciences, but there is no consensus as to what a bond actually is. Therefore, a variety of bonding models have been developed, each defining the structure of molecules in a different manner with the goal of explaining and predicting chemical properties. This thesis describes the initial development of gradient bundle analysis (GBA), a chemical bonding model that creates a high resolution picture of chemical interactions within the charge density framework. GBA is based on concepts from the quantum theory of atoms in molecules (QTAIM), but uses a more complete picture of the topology and geometry of the electron charge density to understand and predict bonding interactions. Gradient bundles are defined as volumes bounded by zero-flux surfaces (ZFSs) in the gradient of the charge density with well-defined energies. The structure of gradient bundles provides an avenue for detecting the locations of valence electrons, which correspond to reactive regions in a ...

  16. Towards an Understanding of the Correlations in Jet Substructure

    CERN Document Server

    Adams, D; Asquith, L.; Backovic, M.; Barillari, T.; Berta, P.; Bertolini, D.; Buckley, A.; Butterworth, J.; Camacho Toro, R.C.; Caudron, J.; Chien, Y.T.; Cogan, J.; Cooper, B.; Curtin, D.; Debenedetti, C.; Dolen, J.; Eklund, M.; El Hedri, S.; Ellis, S.D.; Embry, T.; Ferencek, D.; Ferrando, J.; Fleischmann, S.; Freytsis, M.; Giulini, M.; Han, Z.; Hare, D.; Harris, P.; Hinzmann, A.; Hoing, R.; Hornig, A.; Jankowiak, M.; Johns, K.; Kasieczka, G.; Kogler, R.; Lampl, W.; Larkoski, A.J.; Lee, C.; Leone, R.; Loch, P.; Lopez Mateos, D.; Lou, H.K.; Low, M.; Maksimovic, P.; Marchesini, I.; Marzani, S.; Masetti, L.; McCarthy, R.; Menke, S.; Miller, D.W.; Mishra, K.; Nachman, B.; Nef, P.; O'Grady, F.T.; Ovcharova, A.; Picazio, A.; Pollard, C.; Potter-Landua, B.; Potter, C.; Rappoccio, S.; Rojo, J.; Rutherfoord, J.; Salam, G.P.; Schabinger, R.M.; Schwartzman, A.; Schwartz, M.D.; Shuve, B.; Sinervo, P.; Soper, D.; Sosa Corral, D.E.; Spannowsky, M.; Strauss, E.; Swiatlowski, M.; Thaler, J.; Thomas, C.; Thompson, E.; Tran, N.V.; Tseng, J.; Usai, E.; Valery, L.; Veatch, J.; Vos, M.; Waalewijn, W.; Wacker, J.; Young, C.

    2015-01-01

    Over the past decade, a large number of jet substructure observables have been proposed in the literature, and explored at the LHC experiments. Such observables attempt to utilize the internal structure of jets in order to distinguish those initiated by quarks, gluons, or by boosted heavy objects, such as top quarks and W bosons. This report, originating from and motivated by the BOOST2013 workshop, presents original particle-level studies that aim to improve our understanding of the relationships between jet substructure observables, their complementarity, and their dependence on the underlying jet properties, particularly the jet radius and jet transverse momentum. This is explored in the context of quark/gluon discrimination, boosted W boson tagging and boosted top quark tagging.

  17. Towards an understanding of the correlations in jet substructure

    Energy Technology Data Exchange (ETDEWEB)

    Adams, D. [Brookhaven National Laboratory, Upton, NY (United States); Arce, A. [Duke University, Durham, NC (United States); Asquith, L. [University of Sussex, Brighton (United Kingdom); Backovic, M. [CP3, Universite catholique du Louvain, Louvain-la-Neuve (Belgium); Barillari, T.; Menke, S. [Max-Planck-Institute fuer Physik, Munich (Germany); Berta, P. [Charles University in Prague, FMP, Prague (Czech Republic); Bertolini, D. [University of California, Berkeley, CA (United States); Buckley, A.; Ferrando, J.; Pollard, C. [University of Glasgow, G12 8QQ (United Kingdom); Butterworth, J.; Cooper, B. [University College London, WC1E 6BT (United Kingdom); Camacho Toro, R.C.; Picazio, A. [University of Geneva, Geneva 4 (Switzerland); Caudron, J.; El Hedri, S.; Masetti, L. [Universitaet Mainz (Germany); Chien, Y.T.; Hornig, A.; Lee, C. [Los Alamos National Laboratory, Los Alamos, NM (United States); Cogan, J.; Nachman, B.; Nef, P.; Schwartzman, A.; Strauss, E.; Swiatlowski, M. [SLAC National Accelerator Laboratory, Menlo Park, CA (United States); Curtin, D. [University of Maryland, College Park, MD (United States); Debenedetti, C. [University of California, Santa Cruz, CA (United States); Dolen, J.; Rappoccio, S. [University at Buffalo, Buffalo, NY (United States); Eklund, M.; Embry, T.; Johns, K.; Lampl, W.; Leone, R.; Loch, P.; O' Grady, F.T.; Rutherfoord, J.; Veatch, J. [University of Arizona, Tucson, AZ (United States); Ellis, S.D. [University of Washington, Seattle, WA (United States); Ferencek, D. [Rutgers University, Piscataway, NJ (United States); Fleischmann, S. [Bergische Universitaet Wuppertal, Wuppertal (Germany); Freytsis, M.; Lopez Mateos, D.; Schwartz, M.D. [Harvard University, Cambridge, MA (United States); Giulini, M.; Sosa Corral, D.E. [Universitaet Heidelberg, Heidelberg (Germany); Han, Z.; Soper, D. [University of Oregon, Eugene, OR (United States); Hare, D.; Mishra, K.; Tran, N.V. [Fermi National Accelerator Laboratory, Batavia, IL (United States); Harris, P.; Potter-Landua, B.; Potter, C.; Thomas, C.; Young, C. [CERN, Geneva 23 (Switzerland); Hinzmann, A. [Universitaet Zuerich, Zurich (Switzerland); Hoing, R.; Kogler, R.; Marchesini, I.; Usai, E. [Universitaet Hamburg, Hamburg (Germany); Jankowiak, M. [New York University, New York, NY (United States); Kasieczka, G. [ETH Zuerich, Zurich (Switzerland); Larkoski, A.J.; Marzani, S.; Thaler, J. [Massachusetts Institute of Technology, Cambridge, MA (United States); Lou, H.K. [Princeton University, Princeton, NJ (United States); Low, M.; Miller, D.W. [University of Chicago, Zurich, IL (United States); Maksimovic, P. [Johns Hopkins University, Baltimore, MD (United States); McCarthy, R. [YITP, Stony Brook University, Stony Brook, NY (United States); Ovcharova, A. [University of California, Berkeley National Laboratory, Berkeley, CA (United States); Rojo, J.; Tseng, J. [University of Oxford, Oxford (United Kingdom); Salam, G.P. [CERN, Geneva 23 (Switzerland); LPTHE, UPMC Univ. Paris 6 and CNRS UMR, Paris (France); Schabinger, R.M. [Universidad Autonoma de Madrid, Madrid (Spain); Shuve, B. [Perimeter Institute for Theoretical Physics, ON (Canada); Sinervo, P. [University of Toronto, Toronto, ON (Canada); Spannowsky, M. [University of Durham, IPPP, Durham (United Kingdom); Thompson, E. [Columbia University, New York, NY (United States); Valery, L. [LPC Clermont-Ferrand, Aubiere Cedex (France); Vos, M. [Instituto de Fisica Corpuscular, IFIC/CSIC-UVEG, Valencia (Spain); Waalewijn, W. [University of Amsterdam, Amsterdam (Netherlands); Wacker, J. [Stanford Institute for Theoretical Physics, Stanford, CA (United States)

    2015-09-15

    Over the past decade, a large number of jet substructure observables have been proposed in the literature, and explored at the LHC experiments. Such observables attempt to utilize the internal structure of jets in order to distinguish those initiated by quarks, gluons, or by boosted heavy objects, such as top quarks and W bosons. This report, originating from and motivated by the BOOST2013 workshop, presents original particle-level studies that aim to improve our understanding of the relationships between jet substructure observables, their complementarity, and their dependence on the underlying jet properties, particularly the jet radius and jet transverse momentum. This is explored in the context of quark/gluon discrimination, boosted W boson tagging and boosted top quark tagging. (orig.)

  18. Searches for Exotic Physics in ATLAS using substructure techniques

    CERN Document Server

    Behr, Janna Katharina; The ATLAS collaboration

    2016-01-01

    The significant increase of the centre-of-mass energy of the Large Hadron Collider (LHC) from 8 to 13 TeV has allowed the experiments at the LHC to explore previously inaccessible kinematic regimes in their search for phenomena beyond the Standard Model of Particle Physics. The sensitivity of these searches depends crucially on the efficient reconstruction and identification of hadronic decays of highly energetic (boosted) objects, the decay products of which are typically collimated into a single large jet with a characteristic substructure. In this contribution, I review the searches conducted by the ATLAS experiment on data recorded during 2015 and 2016 that rely on substructure techniques to identify signatures of interest. A particular emphasis is placed on recent developments in the rapidly evolving field of boosted object tagging.

  19. Searches for Exotic Physics in ATLAS using Substructure Techniques

    CERN Document Server

    Behr, Janna Katharina; The ATLAS collaboration

    2017-01-01

    The significant increase of the centre-of-mass energy of the Large Hadron Collider (LHC) from 8 to 13 TeV has allowed the LHC experiments to explore previously inaccessible kinematic regimes in their search for phenomena beyond the Standard Model. The sensitivity of these searches depends crucially on the efficient reconstruction and identification of hadronic decays of highly energetic (boosted) objects, the decay products of which are typically collimated into a single large jet with a characteristic substructure. In this contribution, the searches conducted by the ATLAS experiment on data recorded during 2015 and 2016 that rely on jet substructure techniques to identify signatures of interest are reviewed. A particular emphasis is placed on recent developments in the rapidly evolving field of boosted object tagging.

  20. Stick-slip substructure in rapid tape peeling

    KAUST Repository

    Thoroddsen, Sigurdur T.

    2010-10-15

    The peeling of adhesive tape is known to proceed with a stick-slip mechanism and produces a characteristic ripping sound. The peeling also produces light and when peeled in a vacuum, even X-rays have been observed, whose emissions are correlated with the slip events. Here we present direct imaging of the detachment zone when Scotch tape is peeled off at high speed from a solid surface, revealing a highly regular substructure, during the slip phase. The typical 4-mm-long slip region has a regular substructure of transverse 220 μm wide slip bands, which fracture sideways at speeds over 300 m/s. The fracture tip emits waves into the detached section of the tape at ∼100 m/s, which promotes the sound, so characteristic of this phenomenon.

  1. Constraining the Milky Way potential using the dynamical kinematic substructures

    Directory of Open Access Journals (Sweden)

    Antoja T.

    2012-02-01

    Full Text Available We present a method to constrain the potential of the non-axisymmetric components of the Galaxy using the kinematics of stars in the solar neighborhood. The basic premise is that dynamical substructures in phase-space (i.e. due to the bar and/or spiral arms are associated with families of periodic or irregular orbits, which may be easily identified in orbital frequency space. We use the “observed” positions and velocities of stars as initial conditions for orbital integrations in a variety of gravitational potentials. We then compute their characteristic frequencies, and study the structure present in the frequency maps. We find that the distribution of dynamical substructures in velocity- and frequency-space is best preserved when the integrations are performed in the “true” gravitational potential.

  2. Computational singular perturbation analysis of stochastic chemical systems with stiffness

    Science.gov (United States)

    Wang, Lijin; Han, Xiaoying; Cao, Yanzhao; Najm, Habib N.

    2017-04-01

    Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non-negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to not only construct accurately and efficiently the numerical solutions to stiff stochastic chemical reaction systems, but also analyze the dynamics of the reduced stochastic reaction systems. The algorithm is illustrated by an application to a benchmark stochastic differential equation model, and numerical experiments are carried out to demonstrate the effectiveness of the construction.

  3. LSENS - GENERAL CHEMICAL KINETICS AND SENSITIVITY ANALYSIS CODE

    Science.gov (United States)

    Bittker, D. A.

    1994-01-01

    LSENS has been developed for solving complex, homogeneous, gas-phase, chemical kinetics problems. The motivation for the development of this program is the continuing interest in developing detailed chemical reaction mechanisms for complex reactions such as the combustion of fuels and pollutant formation and destruction. A reaction mechanism is the set of all elementary chemical reactions that are required to describe the process of interest. Mathematical descriptions of chemical kinetics problems constitute sets of coupled, nonlinear, first-order ordinary differential equations (ODEs). The number of ODEs can be very large because of the numerous chemical species involved in the reaction mechanism. Further complicating the situation are the many simultaneous reactions needed to describe the chemical kinetics of practical fuels. For example, the mechanism describing the oxidation of the simplest hydrocarbon fuel, methane, involves over 25 species participating in nearly 100 elementary reaction steps. Validating a chemical reaction mechanism requires repetitive solutions of the governing ODEs for a variety of reaction conditions. Analytical solutions to the systems of ODEs describing chemistry are not possible, except for the simplest cases, which are of little or no practical value. Consequently, there is a need for fast and reliable numerical solution techniques for chemical kinetics problems. In addition to solving the ODEs describing chemical kinetics, it is often necessary to know what effects variations in either initial condition values or chemical reaction mechanism parameters have on the solution. Such a need arises in the development of reaction mechanisms from experimental data. The rate coefficients are often not known with great precision and in general, the experimental data are not sufficiently detailed to accurately estimate the rate coefficient parameters. The development of a reaction mechanism is facilitated by a systematic sensitivity analysis

  4. Abell 2744: Too much substructure for Lambda CDM?

    CERN Document Server

    Schwinn, J; Baugh, C M; Bartelmann, M; Eckert, D; Harvey, D; Natarajan, P; Massey, R

    2016-01-01

    The massive substructures found in Abell 2744 by Jauzac et al. (2016) present a challenge to the cold dark matter paradigm due to their number and proximity to the cluster centre. We use one of the biggest N-body simulations, the Millennium XXL, to investigate the substructure in a large sample of massive dark matter haloes. A range of effects which influence the comparison with the observations is considered, extending the preliminary evaluation carried out by Jauzac et al. (2016). There are many tens of haloes in the simulation with a total mass comparable with or larger than that of Abell 2744. However, we find no haloes with a number and distribution of massive substructures (> 5 10^13 Msun) that is close to that inferred from the observations of Abell 2744. The application of extreme value statistics suggests that we would need a simulation of at least ten times the volume of the Millennium XXL to find a single dark matter halo with a similar internal structure to Abell 2744. Explaining the distribution ...

  5. Trans-Dimensional Bayesian Inference for Gravitational Lens Substructures

    CERN Document Server

    Brewer, Brendon J; Lewis, Geraint F

    2015-01-01

    We introduce a Bayesian solution to the problem of inferring the density profile of strong gravitational lenses when the lens galaxy may contain multiple dark or faint substructures. The source and lens models are based on a superposition of an unknown number of non-negative basis functions (or "blobs") whose form was chosen with speed as a primary criterion. The prior distribution for the blobs' properties is specified hierarchically, so the mass function of substructures is a natural output of the method. We use reversible jump Markov Chain Monte Carlo (MCMC) within Diffusive Nested Sampling (DNS) to sample the posterior distribution and evaluate the marginal likelihood of the model, including the summation over the unknown number of blobs in the source and the lens. We demonstrate the method on a simulated data set with a single substructure, which is recovered well with moderate uncertainties. We also apply the method to the g-band image of the "Cosmic Horseshoe" system, and find some hints of potential s...

  6. Chemical analysis of Ginkgo biloba leaves and extracts

    NARCIS (Netherlands)

    Beek, van T.A.

    2002-01-01

    The chemical analysis and quality control of Ginkgo leaves and extracts is reviewed. Important constituents present in the medicinally used leaves are the terpene trilactones, i.e., ginkgolides A, B, C, J and bilobalide, many flavonol glycosides, biflavones, proanthocyanidins, alkylphenols, simple p

  7. Spectangular - Spectral Disentangling For Detailed Chemical Analysis Of Binaries

    Science.gov (United States)

    Sablowski, Daniel

    2016-08-01

    Disentangling of spectra helps to improve the orbit parameters and allows detailed chemical analysis. Spectangular is a GUI program written in C++ for spectral disentangling of spectra of SB1 and SB2 systems. It is based on singular value decomposition in the wavelength space and is coupled to an orbital solution.The results are the component spectra and the orbital parameters.

  8. The Extraordinary Amount of Substructure in the Hubble Frontier Fields Cluster Abell 2744

    CERN Document Server

    Jauzac, M; Schwinn, J; Harvey, D; Baugh, C M; Robertson, A; Bose, S; Massey, R; Owers, M; Ebeling, H; Shan, H Y; Jullo, E; Kneib, J -P; Richard, J; Atek, H; Clément, B; Egami, E; Israel, H; Knowles, K; Limousin, M; Natarajan, P; Rexroth, M; Taylor, P; Tchernin, C

    2016-01-01

    We present a joint optical/X-ray analysis of the massive galaxy cluster Abell 2744 (z=0.308). Our strong- and weak-lensing analysis within the central region of the cluster, i.e., at R<1Mpc from the brightest cluster galaxy, reveals eight substructures, including the main core. All of these dark-matter halos are detected with a significance of at least 5sigma and feature masses ranging from 0.5 to 1.4x10^{14}Msun within R<150kpc. Merten et al. (2011) and Medezinski et al. (2016) substructures are also detected by us. We measure a slightly higher mass for the main core component than reported previously and attribute the discrepancy to the inclusion of our tightly constrained strong-lensing mass model built on Hubble Frontier Fields data. X-ray data obtained by XMM-Newton reveal four remnant cores, one of them a new detection, and three shocks. Unlike Merten et al. (2011), we find all cores to have both dark and luminous counterparts. A comparison with clusters of similar mass in the MXXL simulations yie...

  9. Motion and deformation estimation from medical imagery by modeling sub-structure interaction and constraints

    KAUST Repository

    Sundaramoorthi, Ganesh

    2012-09-13

    This paper presents a novel medical image registration algorithm that explicitly models the physical constraints imposed by objects or sub-structures of objects that have differing material composition and border each other, which is the case in most medical registration applications. Typical medical image registration algorithms ignore these constraints and therefore are not physically viable, and to incorporate these constraints would require prior segmentation of the image into regions of differing material composition, which is a difficult problem in itself. We present a mathematical model and algorithm for incorporating these physical constraints into registration / motion and deformation estimation that does not require a segmentation of different material regions. Our algorithm is a joint estimation of different material regions and the motion/deformation within these regions. Therefore, the segmentation of different material regions is automatically provided in addition to the image registration satisfying the physical constraints. The algorithm identifies differing material regions (sub-structures or objects) as regions where the deformation has different characteristics. We demonstrate the effectiveness of our method on the analysis of cardiac MRI which includes the detection of the left ventricle boundary and its deformation. The experimental results indicate the potential of the algorithm as an assistant tool for the quantitative analysis of cardiac functions in the diagnosis of heart disease.

  10. Forensic analysis of bicomponent fibers using infrared chemical imaging.

    Science.gov (United States)

    Flynn, Katherine; O'Leary, Robyn; Roux, Claude; Reedy, Brian J

    2006-05-01

    The application of infrared chemical imaging to the analysis of bicomponent fibers was evaluated. Eleven nominally bicomponent fibers were examined either side-on or in cross-section. In six of the 11 samples, infrared chemical imaging was able to spatially resolve two spectroscopically distinct regions when the fibers were examined side-on. As well as yielding characteristic infrared spectra of each component, the technique also provided images that clearly illustrated the side-by-side configuration of these components in the fiber. In one case it was possible to prepare and image a cross-section of the fiber, but in general the preparation of fiber cross-sections proved very difficult. In five of the 11 samples, the infrared spectra could be used to identify the overall chemical composition of the fibers, according to a published classification scheme, but the fiber components could not be spatially resolved. Difficulties that are inherent to conventional "single-point" infrared spectroscopy, such as interference fringing and sloping baselines, particularly when analyzing acrylic type fibers, were also encountered in the infrared chemical image analysis of bicomponent fibers. A number of infrared sampling techniques were investigated to overcome these problems, and recommendations for the best sampling technique are given. Chemical imaging results were compared with those obtained using conventional fiber microscopy techniques.

  11. Near-field Optical Imagigng and Chemical Analysis

    Science.gov (United States)

    Andres, La Rosa

    1998-03-01

    Identification of molecular structures in complex mixtures represents a major challenge in chemical research today. Microfabricated devices or lab-on-a-chip that perform chemical analysis allows dynamic sampling of picoliter microenvironments and separation. The long-term goals of nanochemistry down to the femtoliter scale involve refinement of the detection limit to single-molecule. Our approach consists in designing a very sensitive near-field optical microscope (NSOM-SIAM) to explore the mesoscopic properties of organic compounds. The validity, sensitivity and unique spatial resolution of this system will be discussed for multiple analyte chemosensing.

  12. Chemical analysis of plasma-assisted antimicrobial treatment on cotton

    Science.gov (United States)

    Kan, C. W.; Lam, Y. L.; Yuen, C. W. M.; Luximon, A.; Lau, K. W.; Chen, K. S.

    2013-06-01

    This paper explores the use of plasma treatment as a pretreatment process to assist the application of antimicrobial process on cotton fabric with good functional effect. In this paper, antimicrobial finishing agent, Microfresh Liquid Formulation 9200-200 (MF), and a binder (polyurethane dispersion, Microban Liquid Formulation R10800-0, MB) will be used for treating the cotton fabric for improving the antimicrobial property and pre-treatment of cotton fabric by plasma under atmospheric pressure will be employed to improve loading of chemical agents. The chemical analysis of the treated cotton fabric will be conducted by Fourier transform Infrared Spectroscopy.

  13. An Extended Algorithm of Flexibility Analysis in Chemical Engineering Processes

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    An extended algorithm of flexibility analysis with a local adjusting method for flexibility region of chemical processes, which is based on the active constraint strategy, is proposed, which fully exploits the flexibility region of the process system operation. The hyperrectangular flexibility region determined by the extended algorithm is larger than that calculated by the previous algorithms. The limitation of the proposed algorithm due to imperfect convexity and its corresponding verification measure are also discussed. Both numerical and actual chemical process examples are presented to demonstrate the effectiveness of the new algorithm.

  14. The Impact of Flow Injection on Modern Chemical Analysis

    DEFF Research Database (Denmark)

    Hansen, Elo Harald

    There is no doubt that Flow Injection Analysis (FIA) has had a profound impact on the ways and means that modern analytical chemical procedures are performed. This is amply reflected in the voluminous scientific literature, which by the middle of 2004 passed more than 14,500 FIA-publications in i......There is no doubt that Flow Injection Analysis (FIA) has had a profound impact on the ways and means that modern analytical chemical procedures are performed. This is amply reflected in the voluminous scientific literature, which by the middle of 2004 passed more than 14,500 FIA...... and preconcentration procedures. In recent years, FIA has been supplemented by Sequential Injection Analysis (SIA) and the Lab-on-Valve (LOV) approach. Following a brief historic introduction and an account of the impact of FIA in academia, the lecture will describe these two new generations of FIA, accompanied...

  15. Finding nonoverlapping substructures of a sparse matrix

    Energy Technology Data Exchange (ETDEWEB)

    Pinar, Ali; Vassilevska, Virginia

    2004-08-09

    Many applications of scientific computing rely on computations on sparse matrices, thus the design of efficient implementations of sparse matrix kernels is crucial for the overall efficiency of these applications. Due to the high compute-to-memory ratio and irregular memory access patterns, the performance of sparse matrix kernels is often far away from the peak performance on a modern processor. Alternative data structures have been proposed, which split the original matrix A into A{sub d} and A{sub s}, so that A{sub d} contains all dense blocks of a specified size in the matrix, and A{sub s} contains the remaining entries. This enables the use of dense matrix kernels on the entries of A{sub d} producing better memory performance. In this work, we study the problem of finding a maximum number of non overlapping rectangular dense blocks in a sparse matrix, which has not been studied in the sparse matrix community. We show that the maximum non overlapping dense blocks problem is NP-complete by using a reduction from the maximum independent set problem on cubic planar graphs. We also propose a 2/3-approximation algorithm for 2 times 2 blocks that runs in linear time in the number of nonzeros in the matrix. We discuss alternatives to rectangular blocks such as diagonal blocks and cross blocks and present complexity analysis and approximation algorithms.

  16. Mass spectrometric analysis of chemical warfare agents in support of a chemical terrorist event

    Energy Technology Data Exchange (ETDEWEB)

    Hancock, J.R.; D' Agostino, P.A.; Chenier, C.L. [Defence R and D Canada Suffield, Medicine Hat, AB (Canada)

    2003-07-01

    Chemical warfare (CW) agents are considered to be any chemicals which, through their chemical action on life processes can cause death, temporary incapacitation or permanent harm to humans or animals. In Canada, the probability of a CW terrorist attack is low despite the catastrophic consequences that would result from such an attack. The three levels of government would be responding to such an event. CW agent response training for all levels of government is offered at Defence R and D Canada-Suffield. Appropriate samples must be collected for analysis in a laboratory, as such an event would lead to a criminal investigation. Research into new methods for the identification of CW agents is being conducted by the analytical laboratory at Defence R and D Canada-Suffield. Gas chromatography and mass spectrometry (GC-MS) are being used extensively to separate and characterize CW agents in organic extracts. In the case of aqueous samples, another method might be more appropriate, since additional sample handling is required before GC-MS analysis can be performed. Minimal sample handling is required when using liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) for direct analysis of CW agents. The authors demonstrated the use of LC-ESI-MS for analyzing CW agents and their hydrolysis products in aqueous samples. For the analysis of nerve agents and phosphonic acids in soil, comparable or superior results to organic extraction and GC-MS were obtained for aqueous extractions followed by LC-ESI-MS. The combination of GC-MS and LC-ESI-MS for the analysis of mustard related compounds in soil extracts from a former mustard storage area showed that the two methods are complementary in this situation. 9 refs., 3 tabs., 5 figs.

  17. A Synoptic Map of Halo Substructures from the Pan-STARRS1 3\\pi\\ Survey

    CERN Document Server

    Bernard, Edouard J; Schlafly, Edward F; Martin, Nicolas F; Rix, Hans-Walter; Bell, Eric F; Finkbeiner, Douglas P; Goldman, Bertrand; Martinez-Delgado, David; Sesar, Branimir; Wyse, Rosemary F G; Burgett, William S; Chambers, Kenneth C; Draper, Peter W; Hodapp, Klaus W; Kudritzki, Rolf-Peter; Magnier, Eugene A; Metcalfe, Nigel; Wainscoat, Richard J; Waters, Christopher

    2016-01-01

    We present a panoramic map of the entire Milky Way halo north of dec~-30 degrees (~30,000 deg^2), constructed by applying the matched-filter technique to the Pan-STARRS1 3Pi Survey dataset. Using single-epoch photometry reaching to g~22, we are sensitive to stellar substructures with heliocentric distances between 3.5 and ~35 kpc. We recover almost all previously-reported streams in this volume and demonstrate that several of these are significantly more extended than earlier datasets have indicated. In addition, we also report five new candidate stellar streams. One of these features appears significantly broader and more luminous than the others and is likely the remnant of a dwarf galaxy. The other four streams are consistent with a globular cluster origin, and three of these are rather short in projection (<10 degrees), suggesting that streams like Ophiuchus may not be that rare. Finally, a significant number of more marginal substructures are also revealed by our analysis; many of these features can a...

  18. Mexican mestizo population sub-structure: effects on genetic and forensic statistical parameters.

    Science.gov (United States)

    Noris, Gino; Santana, Carla; Meraz-Ríos, Marco Antonio; de Lourdes Munoz, María; Majluf-Cruz, Abraham; Magaña, Jonathan J; Granados, Julio; Quezada, Rosa; Revilla, María Cristina; Martínez-Salas, Sergio; Xihuitl, Salvador; Martínez de la Escalera, Gonzalo; Díaz-Badillo, Alvaro; Calderon-Aranda, Emma S; Gómez, Rocío

    2012-12-01

    Since Mexican mestizos are an admixed population, it is necessary to determine the effects that the substructure of the population has on genetic and forensic parameters. With this aim, a study was performed with 15 STR loci (CODIS plus D2S1338 and D19S433) on 1,640 unrelated Mexican mestizos. We determine allele and genotypic frequencies observing departure from Hardy-Weinberg expectation (12 out of 15 loci, with an excess of homozygotes, Fis > 0), as well as pairs of loci in an apparent linkage disequilibrium (13 of 92 loci). We conducted a test for genetic population stratification, the results show that the Mexican mestizo population is substructured into three subgroups, which are in HW and linkage equilibrium. The combination of the 15 loci in the whole population has high forensic efficiency with the capacity to genetically discriminate one individual in one quintillion (1/10(18)). Our data potentially validates the use of these 15 STR loci to establish forensic identity and parentage testing for legal purposes, and offers a powerful tool for genetic variation analysis. However, given that the population is stratified, we highly recommend applying a correction with the inbreeding coefficient in calculations of paternity and forensic studies to avoid erroneous assumptions.

  19. Statistics and implications of substructure detected in a representative sample of X-ray clusters

    CERN Document Server

    Chon, Gayoung; Smith, Graham

    2012-01-01

    We present a morphological study of 35 X-ray luminous galaxy clusters at 0.15Substructure Survey (LoCuSS), for which deep XMM-Newton observations are available. We characterise the structure of the X-ray surface brightness distribution of each cluster by measuring both their power ratios and centroid shift, and thus rank the clusters by the degree of substructure. These complementary probes give a consistent description of the cluster morphologies with some well understood exceptions. We find a remarkably tight correlation of regular morphology with the occurrence of cool cores in clusters. We also compare our measurements of X-ray morphology with measurements of the luminosity gap statistics and ellipticity of the brightest cluster galaxy (BCG). We check how our new X-ray morphological analysis maps onto cluster scaling relations, finding that (i) clusters with relatively undisturbed X-ray morphologies are on average more luminous at fixed X-ray...

  20. A Synoptic Map of Halo Substructures from the Pan-STARRS1 3π Survey

    Science.gov (United States)

    Bernard, Edouard J.; Ferguson, Annette M. N.; Schlafly, Edward F.; Martin, Nicolas F.; Rix, Hans-Walter; Bell, Eric F.; Finkbeiner, Douglas P.; Goldman, Bertrand; Martínez-Delgado, David; Sesar, Branimir; Wyse, Rosemary F. G.; Burgett, William S.; Chambers, Kenneth C.; Draper, Peter W.; Hodapp, Klaus W.; Kaiser, Nicholas; Kudritzki, Rolf-Peter; Magnier, Eugene A.; Metcalfe, Nigel; Wainscoat, Richard J.; Waters, Christopher

    2016-08-01

    We present a panoramic map of the entire Milky Way halo north of δ ˜ -30° (˜ 30,000 deg2), constructed by applying the matched-filter technique to the Pan-STARRS1 3π Survey dataset. Using single-epoch photometry reaching to g ˜22, we are sensitive to stellar substructures with heliocentric distances between 3.5 and ˜35 kpc. We recover almost all previously-reported streams in this volume and demonstrate that several of these are significantly more extended than earlier datasets have indicated. In addition, we also report five new candidate stellar streams. One of these features appears significantly broader and more luminous than the others and is likely the remnant of a dwarf galaxy. The other four streams are consistent with a globular cluster origin, and three of these are rather short in projection (≲ 10°), suggesting that streams like Ophiuchus may not be that rare. Finally, a significant number of more marginal substructures are also revealed by our analysis; many of these features can also be discerned in matched-filter maps produced by other authors from SDSS data, and hence they are very likely to be genuine. However, the extant 3π data is currently too shallow to determine their properties or produce convincing CMDs. The global view of the Milky Way provided by Pan-STARRS1 provides further evidence for the important role of both globular cluster disruption and dwarf galaxy accretion in building the Milky Way's stellar halo.

  1. The investigation of dynamic behaviour of a structure using wave-based substructuring method

    Directory of Open Access Journals (Sweden)

    Ahmad Basri Ahmad Burhani

    2017-01-01

    Full Text Available There is an increasing need for accurate, efficient and economical methods for the investigation of the dynamic behaviour of large complex structures within the engineering community. The component mode synthesis (CMS has been perceived by the community to be an attractive efficient method for the investigation. However, the method has substantial shortcomings, particularly in analysing a structure having a large number of interface degrees of freedom (DOFs between substructures. This paper puts forward a method, based upon the wave-based substructuring (WBS for the investigation of the dynamic behaviour of a structure with a large number of interface DOFs. The finite element method is used to construct the full finite element model of the structure and NASTRAN 103 is used for the normal modes analysis. A new finite element model of the structure with reduced interface DOFs is constructed based on the WBS. The measurement of the dynamic behaviour of the structure is carried out using free-free boundary conditions and an impact hammer test. The predicted results of the proposed method are then compared with those from the full finite element model and experimental counterparts. The accuracy and efficiency of the proposed method are discussed and illustrated with two different case studies.

  2. Development of microfluidic devices for chemical analysis and fluid handling

    OpenAIRE

    Egidi, Giovanni; de Rooij, Nicolas F

    2004-01-01

    Miniaturization of chemical analysis and synthesis systems improve throughput, performance and accessibility, and lead to significantly reduced costs. In this work are described several components that find place in the process of miniaturization. This work is developed in the frame of the project CREAM (Cartridges with molecularly imprinted Recognition Elements for Antibiotic residues Monitoring in Milk). Antibiotics are widely used to treat cows' diseases, and traces can be found in milk so...

  3. GLAST And Dark Matter Substructure in the Milky Way

    Energy Technology Data Exchange (ETDEWEB)

    Kuhlen, Michael; /Princeton, Inst. Advanced Study; Diemand, Jurg; /UC, Santa Cruz, Astron. Astrophys.; Madau, Piero; /UC, Santa Cruz, Astron. Astrophys. /Garching, Max Planck Inst.

    2011-11-29

    We discuss the possibility of GLAST detecting gamma-rays from the annihilation of neutralino dark matter in the Galactic halo. We have used 'Via Lactea', currently the highest resolution simulation of cold dark matter substructure, to quantify the contribution of subhalos to the annihilation signal. We present a simulated allsky map of the expected gamma-ray counts from dark matter annihilation, assuming standard values of particle mass and cross section. In this case GLAST should be able to detect the Galactic center and several individual subhalos. One of the most exciting discoveries that the Gamma-ray Large Area Space Telescope (GLAST) could make, is the detection of gamma-rays from the annihilation of dark matter (DM). Such a measurement would directly address one of the major physics problems of our time: the nature of the DM particle. Whether or not GLAST will actually detect a DM annihilation signal depends on both unknown particle physics and unknown astrophysics theory. Particle physics uncertainties include the type of particle (axion, neutralino, Kaluza-Klein particle, etc.), its mass, and its interaction cross section. From the astrophysical side it appears that DM is not smoothly distributed throughout the Galaxy halo, but instead exhibits abundant clumpy substructure, in the form of thousands of so-called subhalos. The observability of DM annihilation radiation originating in Galactic DM subhalos depends on their abundance, distribution, and internal properties. Numerical simulations have been used in the past to estimate the annihilation flux from DM substructure, but since the subhalo properties, especially their central density profile, which determines their annihilation luminosity, are very sensitive to numerical resolution, it makes sense to re-examine their contribution with higher resolution simulations.

  4. Fatigue reassessment for lifetime extension of offshore wind monopile substructures

    Science.gov (United States)

    Ziegler, Lisa; Muskulus, Michael

    2016-09-01

    Fatigue reassessment is required to decide about lifetime extension of aging offshore wind farms. This paper presents a methodology to identify important parameters to monitor during the operational phase of offshore wind turbines. An elementary effects method is applied to analyze the global sensitivity of residual fatigue lifetimes to environmental, structural and operational parameters. Therefore, renewed lifetime simulations are performed for a case study which consists of a 5 MW turbine with monopile substructure in 20 m water depth. Results show that corrosion, turbine availability, and turbulence intensity are the most influential parameters. This can vary strongly for other settings (water depth, turbine size, etc.) making case-specific assessments necessary.

  5. Electrochemical approaches for chemical and biological analysis on Mars

    Science.gov (United States)

    Kounaves, Samuel P.

    2003-01-01

    Obtaining in situ chemical data from planetary bodies such as Mars or Europa can present significant challenges. The one analytical technique that has many of the requisite characteristics to meet such a challenge is electroanalysis. Described here are three electroanalytical devices designed for in situ geochemical and biological analysis on Mars. The Mars Environmental Compatibility Assessment (MECA) was built and flight qualified for the now cancelled NASA Mars 2001 Lander. Part of MECA consisted of four "cells" containing arrays of electrochemical based sensors for measuring the ionic species in soil samples. A next-generation MECA, the Robotic Chemical Analysis Laboratory (RCAL), uses a carousel-type system to allow for greater customization of analytical procedures. A second instrument, proposed as part of the 2007 CryoScout mission, consists of a flow-through inorganic chemical analyzer (MICA). CryoScout is a torpedo-like device designed for subsurface investigation of the stratigraphic climate record embedded in Mars' north polar cap. As the CryoScout melts its way through the ice cap, MICA will collect and analyze the meltwater for a variety of inorganics and chemical parameters. By analyzing the chemistry locked in the layers of dust, salt, and ice, geologists will be able to determine the recent history of climate, water, and atmosphere on Mars and link it to the past. Finally, electroanalysis shows its abilities in the detection of possible microorganism on Mars or elsewhere in the solar system. To identify an unknown microorganism, one that may not even use Earth-type biochemistry, requires a detection scheme which makes minimal assumptions and looks for the most general features. Recent work has demonstrated that the use of an array of electrochemical sensors which monitors the changes in a solution via electrical conductivity, pH, and ion selective electrodes, can be used to detect minute chemical perturbations caused by the growth of bacteria and

  6. The SLUGGS Survey: Globular cluster system kinematics and substructure in NGC 4365

    CERN Document Server

    Blom, Christina; Brodie, Jean P; Foster, Caroline; Romanowsky, Aaron J; Spitler, Lee R; Strader, Jay

    2012-01-01

    We present a kinematic analysis of the globular cluster (GC) system of the giant elliptical galaxy NGC 4365 and find several distinct kinematic substructures. This analysis is carried out using radial velocities for 269 GCs, obtained with the DEIMOS instrument on the Keck II telescope as part of the SAGES Legacy Unifying Globulars and Galaxies Survey (SLUGGS). We find that each of the three (formerly identified) GC colour subpopulations reveal distinct rotation properties. The rotation of the green GC subpopulation is consistent with the bulk of NGC 4365's stellar light, which `rolls' about the photometric major axis. The blue and red GC subpopulations show `normal' rotation about the minor axis. We also find that the red GC subpopulation is rotationally dominated beyond 2.5 arcmin (~17 kpc) and that the root mean squared velocity of the green subpopulation declines sharply with radius suggesting a possible bias towards radial orbits relative to the other GC subpopulations. Additionally, we find a population ...

  7. Chemical Abundance Analysis of Moving Group W11450 (Latham 1)

    CERN Document Server

    O'Connell, Julia E; Frinchaboy, Peter M

    2016-01-01

    We present elemental abundances for all seven stars in Moving Group W11450 (Latham 1) to determine if they may be chemically related. These stars appear to be both spatially and kinematically related, but no spectroscopic abundance analysis exists in literature. Abundances for eight elements were derived via equivalent width analyses of high resolution (R $\\sim$60,000), high signal-to-noise ratio ($\\langle$SNR$\\rangle\\sim$100) spectra obtained with the Otto Struve 2.1m telescope and Sandiford Echelle Spectrograph at McDonald Observatory. The large star-to-star scatter in metallicity, -0.55 $\\leq$ [Fe/H] $\\leq$ 0.06 dex ($\\sigma$= 0.25), implies these stars were not produced from the same chemically homogeneous molecular cloud, and are therefore not part of a remnant or open cluster as previously proposed. Prior to this analysis, it was suggested that two stars in the group, W11449 & W11450, are possible wide binaries. The candidate wide binary pair show similar chemical abundance patterns with not only ir...

  8. Proximate analysis, backwards stepwise regression between gross calorific value, ultimate and chemical analysis of wood.

    Science.gov (United States)

    Telmo, C; Lousada, J; Moreira, N

    2010-06-01

    The gross calorific value (GCV), proximate, ultimate and chemical analysis of debark wood in Portugal were studied, for future utilization in wood pellets industry and the results compared with CEN/TS 14961. The relationship between GCV, ultimate and chemical analysis were determined by multiple regression stepwise backward. The treatment between hardwoods-softwoods did not result in significant statistical differences for proximate, ultimate and chemical analysis. Significant statistical differences were found in carbon for National (hardwoods-softwoods) and (National-tropical) hardwoods in volatile matter, fixed carbon, carbon and oxygen and also for chemical analysis in National (hardwoods-softwoods) for F and (National-tropical) hardwoods for Br. GCV was highly positively related to C (0.79 * * *) and negatively to O (-0.71 * * *). The final independent variables of the model were (C, O, S, Zn, Ni, Br) with R(2)=0.86; F=27.68 * * *. The hydrogen did not contribute statistically to the energy content.

  9. Cold Dark Matter Substructures in Early-Type Galaxy Halos

    CERN Document Server

    Fiacconi, Davide; Potter, Doug; Stadel, Joachim

    2016-01-01

    We present initial results from the "Ponos" zoom-in numerical simulations of dark matter substructures in massive ellipticals. Two very highly resolved dark matter halos with $M_{\\rm vir}=1.2\\times 10^{13}$ $M_{\\odot}$ and $M_{\\rm vir}=6.5\\times 10^{12}$ $M_{\\odot}$ and different ("violent" vs. "quiescent") assembly histories have been simulated down to $z=0$ in a $\\Lambda$CDM cosmology with a total of 921,651,914 and 408,377,544 particles, respectively. Within the virial radius, the total mass fraction in self-bound $M_{\\rm sub}>10^6$ $M_{\\odot}$ subhalos at the present epoch is 15% for the violent host and 16.5% for the quiescent one. At $z=0.7$, these fractions increase to 19 and 33%, respectively, as more recently accreted satellites are less prone to tidal destruction. In projection, the average fraction of surface mass density in substructure at a distance of $R/R_{\\rm vir}=0.02$ ($\\sim 5-10$ kpc) from the two halo centers ranges from 0.6% to $\\gtrsim 2$%, significantly higher than measured in simulatio...

  10. Residuated lattices an algebraic glimpse at substructural logics

    CERN Document Server

    Galatos, Nikolaos; Kowalski, Tomasz; Ono, Hiroakira

    2007-01-01

    The book is meant to serve two purposes. The first and more obvious one is to present state of the art results in algebraic research into residuated structures related to substructural logics. The second, less obvious but equally important, is to provide a reasonably gentle introduction to algebraic logic. At the beginning, the second objective is predominant. Thus, in the first few chapters the reader will find a primer of universal algebra for logicians, a crash course in nonclassical logics for algebraists, an introduction to residuated structures, an outline of Gentzen-style calculi as well as some titbits of proof theory - the celebrated Hauptsatz, or cut elimination theorem, among them. These lead naturally to a discussion of interconnections between logic and algebra, where we try to demonstrate how they form two sides of the same coin. We envisage that the initial chapters could be used as a textbook for a graduate course, perhaps entitled Algebra and Substructural Logics. As the book progresses the f...

  11. Replaceable Substructures for Efficient Part-Based Modeling

    KAUST Repository

    Liu, Han

    2015-05-01

    A popular mode of shape synthesis involves mixing and matching parts from different objects to form a coherent whole. The key challenge is to efficiently synthesize shape variations that are plausible, both locally and globally. A major obstacle is to assemble the objects with local consistency, i.e., all the connections between parts are valid with no dangling open connections. The combinatorial complexity of this problem limits existing methods in geometric and/or topological variations of the synthesized models. In this work, we introduce replaceable substructures as arrangements of parts that can be interchanged while ensuring boundary consistency. The consistency information is extracted from part labels and connections in the original source models. We present a polynomial time algorithm that discovers such substructures by working on a dual of the original shape graph that encodes inter-part connectivity. We demonstrate the algorithm on a range of test examples producing plausible shape variations, both from a geometric and from a topological viewpoint. © 2015 The Author(s) Computer Graphics Forum © 2015 The Eurographics Association and John Wiley & Sons Ltd. Published by John Wiley & Sons Ltd.

  12. Detection of a Dark Substructure through Gravitational Imaging

    CERN Document Server

    Vegetti, S; Bolton, A; Treu, T; Gavazzi, R

    2009-01-01

    We report the detection of a dark substructure through direct gravitational imaging - undetected in the HST-WFPC2 F606W image - in the gravitational lens galaxy of SLACS SDSSJ0946+1006 (the "Double Einstein Ring"). The detection is based on a Bayesian grid reconstruction of the two-dimensional surface density of the galaxy inside an annulus around its Einstein radius (few kpc). The detection of a small mass concentration in the surface density maps has a strong statistical significance. We confirm this detection by modeling the system including a parametric mass model with a tidally truncated pseudo-Jaffe density profile; in that case the substructure mass is M_sub=(3.51+-0.15)x10^9 Msun, located at (-0.651+-0.038,1.040+-0.034)'', precisely where also the surface density map shows a strong convergence peak (Bayes factor dlog(E)=-128.0; equivalent to a ~16-sigma detection). The result is robust under substantial changes in the model and the data-set (e.g. PSF, pixel number and scale, source and potential regul...

  13. Fossil Group Origins VII. Galaxy substructures in fossil systems

    CERN Document Server

    Zarattini, S; Aguerri, J A L; Boschin, W; Barrena, R; del Burgo, C; Castro-Rodriguez, N; Corsini, E M; D'Onghia, E; Kundert, A; Méndez-Abreu, J; Sánchez-Janssen, R

    2016-01-01

    Fossil groups are expected to be the final product of galaxy merging within galaxy groups. In simulations, they are predicted to assemble their mass at high redshift. This early formation allows for the innermost $M^\\ast$ galaxies to merge into a massive central galaxy. Then, they are expected to maintain their fossil status because of the few interactions with the large-scale structure. In this context, the magnitude gap between the two brightest galaxies of the system is considered a good indicator of its dynamical status. As a consequence, the systems with the largest gaps should be dynamically relaxed. In order to examine the dynamical status of these systems, we systematically analyze, for the first time, the presence of galaxy substructures in a sample of 12 spectroscopically-confirmed fossil systems with redshift $z \\le 0.25$. We apply a number of tests in order to investigate the substructure in fossil systems in the two-dimensional space of projected positions out to $R_{200}$. Moreover, for a subsam...

  14. Analysis of chemical composition of high viscous oils

    Directory of Open Access Journals (Sweden)

    Irina Germanovna Yashchenko

    2014-07-01

    Full Text Available The spatial distribution of viscous oils which are considered as an important reserve for oil-production in future were studied on base of information from global database on oil physical and chemical properties. Changes in chemical composition of viscous oils in different basins and continents were analyzed as well. It is shown, on average, viscous oils are sulfur-bearing, low paraffin, highly resinous oils with an average content of asphaltenes and low content of the fraction boiling at 200 C. Study results of viscous oils peculiarities of Canada, Russia and Venezuela are given. The analysis results can be used to determine the optimal layouts and conditions of oil transportation, to improve the search methods of geochemical exploration, and to solve other problems in the oil chemistry.

  15. Chemical Bond Analysis of Single Crystal Growth of Magnesium Oxide

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Starting from the crystallographic structure of magnesium oxide (MgO), both the chemical bond model of solids and Pauling's third rule (polyhedral sharing rule) were employed to quantitatively analyze the chemical bonding structure of constituent atoms and single crystal growth. Our analytical results show that MgO single crystals prefer to grow along the direction and the growth rate of the {100} plane is the slowest one. Therefore, the results show that the {100} plane of MgO crystals can be the ultimate morphology face, which is in a good agreement with our previous experimental results. The study indicate that the structure analysis is an effective tool to control the single-crystal growth.

  16. QUALITY ASSURANCE GUIDELINES FOR LABORATORIES PERFORMING FORENSIC ANALYSIS OF CHEMICAL TERRORISM

    Science.gov (United States)

    The Scientific Working Group on Forensic Analysis of Chemical Terrorism (SWGFACT) has developed the following quality assurance guidelines to provide laboratories engaged in forensic analysis of chemical evidence associated with terrorism a framework to implement a quality assura...

  17. Formation of deformation substructures in FCC crystals under the influence of point defect fluxes

    OpenAIRE

    Matveev, M. V.; Selivanikova, Olga Valerievna; Cherepanov, Dmitry Nikolaevich

    2016-01-01

    The article deals with sub-structural transformations in FCC crystals under the influence of point defect fluxes. Different relationships between accumulation of point defects in crystal and substructure transformations, in particular during the process of fragmented dislocation structure formation have been received.

  18. Inspection of Asian Lacquer Substructures by Terahertz Time-Domain Imaging (THz-TDI)

    DEFF Research Database (Denmark)

    Dandolo, Corinna Ludovica Koch; Fukunaga, Kaori; Kohzuma, Yoshei;

    2016-01-01

    Lacquering is considered one of the most representative Asian artistic techniques. While the decorative part of lacquerwares is the lacquer itself, their substructures serve as the backbone of the object itself. Very little is known about these hidden substructures. Since lacquerwares are mostly ...

  19. Extended stellar substructure surrounding the Bo\\"otes I dwarf spheroidal galaxy

    CERN Document Server

    Roderick, T A; Jerjen, H; Da Costa, G S

    2016-01-01

    We present deep stellar photometry of the Bo\\"otes I dwarf spheroidal galaxy in g and i band filters, taken with the Dark Energy Camera at Cerro Tololo in Chile. Our analysis reveals a large, extended region of stellar substructure surrounding the dwarf, as well as a distinct over-density encroaching on its tidal radius. A radial profile of the Bo\\"otes I stellar distribution shows a break radius indicating the presence of extra-tidal stars. These observations strongly suggest that Bo\\"otes I is experiencing tidal disruption, although not as extreme as that exhibited by the Hercules dwarf spheroidal. Combined with revised velocity dispersion measurements from the literature, we see evidence suggesting the need to review previous theoretical models of the Bo\\"otes I dwarf spheroidal galaxy.

  20. Integrated polymer waveguides for absorbance detection in chemical analysis systems

    DEFF Research Database (Denmark)

    Mogensen, Klaus Bo; El-Ali, Jamil; Wolff, Anders

    2003-01-01

    . The emphasis of this paper is on the signal-to-noise ratio of the detection and its relation to the sensitivity. Two absorbance cells with an optical path length of 100 μm and 1000 μm were characterized and compared in terms of sensitivity, limit of detection and effective path length for measurements......A chemical analysis system for absorbance detection with integrated polymer waveguides is reported for the first time. The fabrication procedure relies on structuring of a single layer of the photoresist SU-8, so both the microfluidic channel network and the optical components, which include planar...

  1. Probabilistic Approach to Risk Analysis of Chemical Spills at Sea

    Institute of Scientific and Technical Information of China (English)

    Magda Bogalecka; Krzysztof Kolowrocki

    2006-01-01

    Risk analysis of chemical spills at sea and their consequences for sea environment are discussed. Mutual interactions between the process of the sea accident initiating events, the process of the sea environment threats, and the process of the sea environment degradation are investigated. To describe these three particular processes, the separate semi-Markov models are built. Furthermore, these models are jointed into one general model of these processes interactions.Moreover, some comments on the method for statistical identification of the considered models are proposed.

  2. Comparison of descriptive sensory analysis and chemical analysis for oxidative changes in milk

    DEFF Research Database (Denmark)

    Hedegaard, R V; Kristensen, D; Nielsen, Jacob Holm;

    2006-01-01

    products. The milk samples were evaluated in parallel by descriptive sensory analysis by a trained panel, and the correlation between the chemical analysis and the descriptive sensory analysis was evaluated. The fatty acid composition of the 3 types of milk was found to influence the oxidative...... and lipolytic changes occurring in the milk during chill storage for 4 d. Sensory analysis and chemical analysis showed high correlation between the typical descriptors for oxidation such as cardboard, metallic taste, and boiled milk and specific chemical markers for oxidation such as hexanal. Notably, primary...... oxidation products (i.e., lipid hydroperoxides) and even the tendency of formation of radicals as measured by electron spin resonance spectroscopy were also highly correlated to the sensory descriptors for oxidation. Electron spin resonance spectroscopy should accordingly be further explored as a routine...

  3. Chemical structure analysis of starch and cellulose derivatives.

    Science.gov (United States)

    Mischnick, Petra; Momcilovic, Dane

    2010-01-01

    Starch and cellulose are the most abundant and important representatives of renewable biomass. Since the mid-19th century their properties have been changed by chemical modification for commercial and scientific purposes, and there substituted polymers have found a wide range of applications. However, the inherent polydispersity and supramolecular organization of starch and cellulose cause the products resulting from their modification to display high complexity. Chemical composition analysis of these mixtures is therefore a challenging task. Detailed knowledge on substitution patterns is fundamental for understanding structure-property relationships in modified cellulose and starch, and thus also for the improvement of reproducibility and rational design of properties. Substitution patterns resulting from kinetically or thermodynamically controlled reactions show certain preferences for the three available hydroxyl functions in (1→4)-linked glucans. Spurlin, seventy years ago, was the first to describe this in an idealized model, and nowadays this model has been extended and related to the next hierarchical levels, namely, the substituent distribution in and over the polymer chains. This structural complexity, with its implications for data interpretation, and the analytical approaches developed for its investigation are outlined in this article. Strategies and methods for the determination of the average degree of substitution (DS), monomer composition, and substitution patterns at the polymer level are presented and discussed with respect to their limitations and interpretability. Nuclear magnetic resonance spectroscopy, chromatography, capillary electrophoresis, and modern mass spectrometry (MS), including tandem MS, are the main instrumental techniques employed, in combination with appropriate sample preparation by chemical and enzymatic methods.

  4. Chemical Analysis of NOx Removal Under Different Reduced Electric Fields

    Science.gov (United States)

    Haddouche, A.; Lemerini, M.

    2015-07-01

    This work presents a chemical kinetic analysis of different species involved in nitrogen-oxygen mixed gas induced by stationary corona discharge at room temperature and atmospheric pressure. This study takes into account twenty different chemical species participating in one hundred and seventy selected chemical reactions. The reaction rate coefficients are taken from the literature, and the density is analyzed by the continuity equation without the diffusion term. A large number of investigations considered the removal of NOx showing the effects of N, O and O3 radicals. The aim of the present simulation is to complete these studies by analysing various plasma species under different reduced electric fields in the range of 100-200 Td (1 Td=10-21 V·m2). In particular, we analyze the time evolution of depopulation (10-9-10-3 s) of NOx. We have found that the depopulation rate of NO and NO2 is substantially affected by the rise of reduced electric field as it grows from 100 Td to 200 Td. This allows us to ascertain the important role played by the reduced electric field.

  5. A Comparison of Reduced Order Modeling Techniques Used in Dynamic Substructuring [PowerPoint

    Energy Technology Data Exchange (ETDEWEB)

    Roettgen, Dan [Wisc; Seeger, Benjamin [Stuttgart; Tai, Wei Che [Washington; Baek, Seunghun [Michigan; Dossogne, Tilan [Liege; Allen, Matthew S [Wisc; Kuether, Robert J.; Brake, Matthew Robert; Mayes, Randall L.

    2016-01-01

    Experimental dynamic substructuring is a means whereby a mathematical model for a substructure can be obtained experimentally and then coupled to a model for the rest of the assembly to predict the response. Recently, various methods have been proposed that use a transmission simulator to overcome sensitivity to measurement errors and to exercise the interface between the substructures; including the Craig-Bampton, Dual Craig-Bampton, and Craig-Mayes methods. This work compares the advantages and disadvantages of these reduced order modeling strategies for two dynamic substructuring problems. The methods are first used on an analytical beam model to validate the methodologies. Then they are used to obtain an experimental model for structure consisting of a cylinder with several components inside connected to the outside case by foam with uncertain properties. This represents an exceedingly difficult structure to model and so experimental substructuring could be an attractive way to obtain a model of the system.

  6. A Comparison of Reduced Order Modeling Techniques Used in Dynamic Substructuring.

    Energy Technology Data Exchange (ETDEWEB)

    Roettgen, Dan; Seegar, Ben; Tai, Wei Che; Baek, Seunghun; Dossogne, Tilan; Allen, Matthew; Kuether, Robert J.; Brake, Matthew Robert; Mayes, Randall L.

    2015-10-01

    Experimental dynamic substructuring is a means whereby a mathematical model for a substructure can be obtained experimentally and then coupled to a model for the rest of the assembly to predict the response. Recently, various methods have been proposed that use a transmission simulator to overcome sensitivity to measurement errors and to exercise the interface between the substructures; including the Craig-Bampton, Dual Craig-Bampton, and Craig-Mayes methods. This work compares the advantages and disadvantages of these reduced order modeling strategies for two dynamic substructuring problems. The methods are first used on an analytical beam model to validate the methodologies. Then they are used to obtain an experimental model for structure consisting of a cylinder with several components inside connected to the outside case by foam with uncertain properties. This represents an exceedingly difficult structure to model and so experimental substructuring could be an attractive way to obtain a model of the system.

  7. TOF-SIMS analysis of polystyrene/polybutadiene blend using chemical derivatization and multivariate analysis

    Science.gov (United States)

    Kono, Teiichiro; Iwase, Eijiro; Kanamori, Yukiko

    2008-12-01

    Chemical imaging with high spatial resolution is one of the features of TOF-SIMS. However, degradation of the sample due to primary ion bombardment becomes problematic when the analysis area is small. Although polystyrene (PS) and polybutadiene (PB) separately show relatively distinct spectra, observation of their phase separation in PS/PB blends is difficult when the analysis area is small because degradation of both polymers and especially PS leads to disappearance of their characteristic peaks, resulting in low chemical image contrast. We therefore investigated the application of various forms of multivariate analysis (MVA) to the TOF-SIMS image data to improve the chemical image contrast. PCA, MCR, and the other forms of MVA provided improvement in contrast, but the images were still obscure and observation of phase separation remained difficult. Chemical derivatization using osmium tetroxide was also investigated, and found to give clear images of phase separation in the PS/PB blend. In quantitative determinations with MVA and chemical derivatization, PLS demonstrated the best predictive capability and chemical derivatization resulted in large deviations from both the bulk chemical composition and the determinations with MVA, particularly in regions of low PB content.

  8. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  9. Quantitative chemical analysis of ocular melanosomes in the TEM.

    Science.gov (United States)

    Eibl, O; Schultheiss, S; Blitgen-Heinecke, P; Schraermeyer, U

    2006-01-01

    Melanosomes in retinal tissues of a human, monkey and rat were analyzed by EDX in the TEM. Samples were prepared by ultramicrotomy at different thicknesses. The material was mounted on Al grids and samples were analyzed in a Zeiss 912 TEM equipped with an Omega filter and EDX detector with ultrathin window. Melanosomes consist of C and O as main components, mole fractions are about 90 and 3-10 at.%, respectively, and small mole fraction ratios, between 2 and 0.1 at.%, of Na, Mg, K, Si, P, S, Cl, Ca. All elements were measured quantitatively by standardless EDX with high precision. Mole fractions of transition metals Fe, Cu and Zn were also measured. For Fe a mole fraction ratio of less than 0.1at.% was found and gives the melanin its paramagnetic properties. Its mole fraction is however close to or below the minimum detectable mass fraction of the used equipment. Only in the human eye and only in the retinal pigment epitelium (rpe) the mole fractions of Zn (0.1 at.% or 5000 microg/g) and Cu were clearly beyond the minimum detectable mass fraction. In the rat and monkey eye the mole fraction of Zn was at or below the minimum detectable mass fraction and could not be measured quantitatively. The obtained results yielded the chemical composition of the melanosomes in the choroidal tissue and the retinal pigment epitelium (rpe) of the three different species. The results of the chemical analysis are discussed by mole fraction correlation diagrams. Similarities and differences between the different species are outlined. Correlation behavior was found to hold over species, e.g. the Ca-O correlation. It indicates that Ca is bound to oxygen rich sites in the melanin. These are the first quantitative analyses of melanosomes by EDX reported so far. The quantitative chemical analysis should open a deeper understanding of the metabolic processes in the eye that are of central importance for the understanding of a large number of eye-related diseases. The chemical analysis also

  10. Hybrid biomembrane substructure determination by contrast-variation analysis

    DEFF Research Database (Denmark)

    Gutberlet, T.; Steitz, R.; Howse, J.

    2002-01-01

    Sandwiched composites that consist of a fluid lipid bilayer associated with a suitable support can serve as a model membrane for biophysical studies. As a precondition of their formation, both support and membrane have to fit each other and the composite has to exhibit a sufficient stability...

  11. Microbiological and chemical analysis of land snails commercialised in Sicily

    Directory of Open Access Journals (Sweden)

    Antonello Cicero

    2015-05-01

    Full Text Available In this study 160 samples of snails belonging to the species Helix aspersa maxima and Helix aspersa muller were examined for chemical and microbiological analysis. Samples came from Greece and Poland. Results showed mean concentration of cadmium (0.35±0.036 mg/kg and lead (0.05±0.013 mg/kg much higher than the limit of detection. Mercury levels in both species were not detected. Microbiological analysis revealed the absence of Salmonella spp. and Clostridium spp. in both examined species. E. coli and K. oxytoca were observed in Helix aspersa maxima and Helix aspersa muller. Furthermore, one case of fungi positivity in samples of Helix aspersa muller was found. The reported investigations highlight the need to create and adopt a reference legislation to protect the health of consumers.

  12. Information-Theoretical Complexity Analysis of Selected Elementary Chemical Reactions

    Science.gov (United States)

    Molina-Espíritu, M.; Esquivel, R. O.; Dehesa, J. S.

    We investigate the complexity of selected elementary chemical reactions (namely, the hydrogenic-abstraction reaction and the identity SN2 exchange reaction) by means of the following single and composite information-theoretic measures: disequilibrium (D), exponential entropy(L), Fisher information (I), power entropy (J), I-D, D-L and I-J planes and Fisher-Shannon (FS) and Lopez-Mancini-Calbet (LMC) shape complexities. These quantities, which are functionals of the one-particle density, are computed in both position (r) and momentum (p) spaces. The analysis revealed that the chemically significant regions of these reactions can be identified through most of the single information-theoretic measures and the two-component planes, not only the ones which are commonly revealed by the energy, such as the reactant/product (R/P) and the transition state (TS), but also those that are not present in the energy profile such as the bond cleavage energy region (BCER), the bond breaking/forming regions (B-B/F) and the charge transfer process (CT). The analysis of the complexities shows that the energy profile of the abstraction reaction bears the same information-theoretical features of the LMC and FS measures, however for the identity SN2 exchange reaction does not hold a simple behavior with respect to the LMC and FS measures. Most of the chemical features of interest (BCER, B-B/F and CT) are only revealed when particular information-theoretic aspects of localizability (L or J), uniformity (D) and disorder (I) are considered.

  13. Chemical Analysis of Wastewater from Unconventional Drilling Operations

    Directory of Open Access Journals (Sweden)

    Jonathan B. Thacker

    2015-04-01

    Full Text Available Trillions of liters of wastewater from oil and gas extraction are generated annually in the US. The contribution from unconventional drilling operations (UDO, such as hydraulic fracturing, to this volume will likely continue to increase in the foreseeable future. The chemical content of wastewater from UDO varies with region, operator, and elapsed time after production begins. Detailed chemical analyses may be used to determine its content, select appropriate treatment options, and identify its source in cases of environmental contamination. In this study, one wastewater sample each from direct effluent, a disposal well, and a waste pit, all in West Texas, were analyzed by gas chromatography-mass spectrometry, inductively coupled plasma-optical emission spectroscopy, high performance liquid chromatography-high resolution mass spectrometry, high performance ion chromatography, total organic carbon/total nitrogen analysis, and pH and conductivity analysis. Several compounds known to compose hydraulic fracturing fluid were detected among two of the wastewater samples including 2-butoxyethanol, alkyl amines, and cocamide diethanolamines, toluene, and o-xylene. Due both to its quantity and quality, proper management of wastewater from UDO will be essential.

  14. Stochastic analysis of Chemical Reaction Networks using Linear Noise Approximation.

    Science.gov (United States)

    Cardelli, Luca; Kwiatkowska, Marta; Laurenti, Luca

    2016-11-01

    Stochastic evolution of Chemical Reactions Networks (CRNs) over time is usually analyzed through solving the Chemical Master Equation (CME) or performing extensive simulations. Analysing stochasticity is often needed, particularly when some molecules occur in low numbers. Unfortunately, both approaches become infeasible if the system is complex and/or it cannot be ensured that initial populations are small. We develop a probabilistic logic for CRNs that enables stochastic analysis of the evolution of populations of molecular species. We present an approximate model checking algorithm based on the Linear Noise Approximation (LNA) of the CME, whose computational complexity is independent of the population size of each species and polynomial in the number of different species. The algorithm requires the solution of first order polynomial differential equations. We prove that our approach is valid for any CRN close enough to the thermodynamical limit. However, we show on four case studies that it can still provide good approximation even for low molecule counts. Our approach enables rigorous analysis of CRNs that are not analyzable by solving the CME, but are far from the deterministic limit. Moreover, it can be used for a fast approximate stochastic characterization of a CRN.

  15. Ecological food web analysis for chemical risk assessment.

    Science.gov (United States)

    Preziosi, Damian V; Pastorok, Robert A

    2008-12-01

    Food web analysis can be a critical component of ecological risk assessment, yet it has received relatively little attention among risk assessors. Food web data are currently used in modeling bioaccumulation of toxic chemicals and, to a limited extent, in the determination of the ecological significance of risks. Achieving more realism in ecological risk assessments requires new analysis tools and models that incorporate accurate information on key receptors in a food web paradigm. Application of food web analysis in risk assessments demands consideration of: 1) different kinds of food webs; 2) definition of trophic guilds; 3) variation in food webs with habitat, space, and time; and 4) issues for basic sampling design and collection of dietary data. The different kinds of food webs include connectance webs, materials flow webs, and functional (or interaction) webs. These three kinds of webs play different roles throughout various phases of an ecological risk assessment, but risk assessors have failed to distinguish among web types. When modeling food webs, choices must be made regarding the level of complexity for the web, assignment of species to trophic guilds, selection of representative species for guilds, use of average diets, the characterization of variation among individuals or guild members within a web, and the spatial and temporal scales/dynamics of webs. Integrating exposure and effects data in ecological models for risk assessment of toxic chemicals relies on coupling food web analysis with bioaccumulation models (e.g., Gobas-type models for fish and their food webs), wildlife exposure models, dose-response models, and population dynamics models.

  16. Resonance Related Spiral Substructure in a Galactic Gaseous Disk

    CERN Document Server

    Yáñez, Miguel A; Martos, Marco A; Hayes, John C

    2007-01-01

    We use high resolution 2D hydrodynamic simulations to study the formation of spiral substructure in the gaseous disk of a galaxy. The obtained gaseous response is driven by a self-consistent non-axisymmetric potential obtained from an imposed spiral mass distribution. We highlight the importance of ultraharmonic resonances in generating these features. The temporal evolution of the system is followed with the parallel ZEUS-MP code, and we follow the steepening of perturbations induced by the spiral potential until large-scale shocks emerge. These shocks exhibit bifurcations that protrude from the gaseous arms and continue to steepen until new shocks are formed. When the contribution from the spiral potential relative to the axisymmetric background is increased from our default value, spurs protrude from the main arms after several revolutions of the gaseous disk. Such spurs overlap on top of the aforementioned shocks. These results support the hypothesis that a complicated gaseous response can coexist with an...

  17. Decorrelated Jet Substructure Tagging using Adversarial Neural Networks

    CERN Document Server

    CERN. Geneva

    2017-01-01

    We describe a strategy for constructing a neural network jet substructure tagger which powerfully discriminates boosted decay signals while remaining largely uncorrelated with the jet mass. This reduces the impact of systematic uncertainties in background modeling while enhancing signal purity, resulting in improved discovery significance relative to existing taggers. The network is trained using an adversarial strategy, resulting in a tagger that learns to balance classification accuracy with decorrelation. As a benchmark scenario, we consider the case where large-radius jets originating from a boosted Z' decay are discriminated from a background of nonresonant quark and gluon jets. We show that in the presence of systematic uncertainties on the background rate, our adversarially-trained, decorrelated tagger considerably outperforms a conventionally trained neural network, despite having a slightly worse signal-background separation power. We generalize the adversarial training technique to include a paramet...

  18. Substructure effects on the collapse of density perturbations

    CERN Document Server

    Popolo, A D

    1996-01-01

    We solve numerically the equations of motion for the collapse of a shell of baryonic matter, made of galaxies and substructure of $ 10^{6} M_{\\odot}- 10^{9} M_{\\odot}$, falling into the central regions of a cluster of galaxies taking account of dynamical friction. We calculate the evolution of the expansion parameter, a(t), of the perturbation using a coefficient of dynamical friction, $ \\eta_{0}$, calculated for a perturbation in which clustering is absent and a coefficient $ \\eta_{cl}$ obtained from a clustered one. The effect of the dynamical friction is to slow down the collapse (V. Antonuccio-Delogu \\& S. Colafrancesco 1994, hereafter AC) producing an observable variation of the parameter of expansion of the shell. The effect increases with increasing $ time depends on $ \\eta_{0}$ and $ \\eta_{cl}$. keywords: {cosmology: theory- galaxies: formation}

  19. Performance of boosted object and jet substructure techniques

    CERN Document Server

    Schramm, Steven; The ATLAS collaboration

    2016-01-01

    Hadronic decays of heavy particles with momenta much larger than their mass result in their decay products being reconstructable as a single large ­radius jet. The study of the substructure of these jets allows the separation of these boosted decays with respect to more common jets from light­ quarks and gluons. Several techniques have been developed by the phenomenology and experimental community to identify jets coming from hadronic decays of boosted top quarks, W, Z and Higgs bosons. The performance of several such techniques have been studied in ATLAS using fully­ simulated Monte Carlo events, and validated on data using pure samples of top quarks, W bosons from top decays and dijet events. Results of these studies will be presented for Run 1 as well as Run 2 of the LHC.

  20. Substructure drag effects and recrystallization textures in aluminium

    Energy Technology Data Exchange (ETDEWEB)

    Higginson, R. [Univ. of Sheffield (United Kingdom). Dept. of Engineering Materials; Bate, P. [Doncasters plc, Melbourne (United Kingdom)

    1999-03-10

    Many important recrystallization texture components in metals such as aluminium originate from nuclei in which the mobile high-angle boundary exists prior to, or is formed in the early stages of, annealing. Nucleation can then occur by a process known as strain-induced boundary migration (SIBM). It is possible that this process will involve several growing subgrains, and the drag from that substructure can then have a significant effect. A simple model is used to demonstrate how changes in the overall driving force for recrystallization and Zener drag can affect recrystallization textures when SIBM is involved. This is discussed in relation to experimental observations and the evidence for this process is reviewed.

  1. Dynamics of 10 clusters of galaxies with substructures

    Energy Technology Data Exchange (ETDEWEB)

    Lakhchaura, Kiran; Singh, K. P., E-mail: kiran_astro@tifr.res.in [Department of Astronomy and Astrophysics, Tata Institute of Fundamental Research, 1 Homi Bhabha Road, Mumbai 400 005 (India)

    2014-06-01

    We present a detailed Chandra study of a sample of 10 clusters of galaxies selected based on the presence of substructures in their optical images. The X-ray surface brightness maps of most of these clusters show anisotropic morphologies, especially in the central regions. A total of 22 well resolved significantly bright X-ray peaks (corresponding with high-density regions) are seen in the central parts (within r{sub c} /2) of the clusters. Multiple peaks are seen in central parts of six clusters. We found 11 peaks to have optical counterparts (10 coinciding with the brightest cluster galaxies of the 10 clusters and 1 coinciding with the second brightest galaxy in A539). For most of the clusters, the optical substructures detected in the previous studies are found to be outside the field of view of Chandra. In the spectroscopically produced two-dimensional temperature maps, significantly lower temperatures are seen at the locations of three peaks (two in A539 and one in A376). The centers of five clusters in our sample also host regions of higher temperature compared to the ambient medium, indicating the presence of galaxy scale mergers. The X-ray luminosity, gas mass, and central cooling time estimates for all the clusters are presented. The radial X-ray surface-brightness profiles of all but one of the clusters are found to be best-fitted with a double-β model, pointing toward the presence of double-phased central gas due to cool cores. The cooling time estimates of all the clusters, however, indicate that none of them hosts a strong cool core, although the possibility of weak cool cores cannot be ruled out.

  2. More pieces of the puzzle: chemistry and substructures in the galactic thick disk

    Energy Technology Data Exchange (ETDEWEB)

    Helmi, Amina [Kapteyn Astronomical Institute, University of Groningen, P.O. Box 800, 9700 AV Groningen (Netherlands); Williams, Mary [Astrophysikalisches Institut Potsdam, An der Sternwarte 16, D-14482 Germany (Germany); Freeman, K. C. [Research School of Astronomy and Astrophysics The Australian National University, Cotter Road Weston Creek, ACT 2611 (Australia); Bland-Hawthorn, J. [Sydney Institute for Astronomy, School of Physics A28, University of Sydney, NSW 2006 (Australia); De Silva, G., E-mail: ahelmi@astro.rug.nl, E-mail: mary@aip.de [Australian Astronomical Observatory, P.O. Box 915, North Ryde, NSW 1670 (Australia)

    2014-08-20

    We present a study of the chemical abundances of solar neighborhood stars associated with dynamical structures in the Milky Way's (thick) disk. These stars were identified as an overdensity in the eccentricity range 0.3 < ε < 0.5 in the Copenhagen-Geneva Survey by Helmi et al. We find that stars with these dynamical characteristics do not constitute a homogeneous population. A relatively sharp transition in dynamical and chemical properties appears to occur at a metallicity of [Fe/H] ∼ –0.4. Stars with [Fe/H] > –0.4 have mostly lower eccentricities, smaller vertical velocity dispersions, are α-enhanced, and define a rather narrow sequence in [α/Fe] versus [Fe/H], clearly distinct from that of the thin disk. Stars with [Fe/H] < –0.4 have a range of eccentricities, are hotter vertically, and depict a larger spread in [α/Fe]. We also found tentative evidence of a substructure possibly associated with the disruption of a metal-rich star cluster. The differences between these populations of stars is also present in, e.g., [Zn/Fe], [Ni/Fe], and [SmII/Fe], suggesting a real physical distinction.

  3. ANALYSIS OF THERMAL-CHEMICAL CHARACTERISTICS OF BIOMASS ENERGY PELLETS

    Directory of Open Access Journals (Sweden)

    Zorica Gluvakov

    2014-09-01

    Full Text Available In modern life conditions, when emphasis is on environmental protection and sustainable development, fuels produced from biomass are increasingly gaining in importance, and it is necessary to consider the quality of end products obtained from biomass. Based on the existing European standards, collected literature and existing laboratory methods, this paper presents results of testing individual thermal - chemical properties of biomass energy pellets after extrusion and cooling the compressed material. Analysing samples based on standard methods, data were obtained on the basis of which individual thermal-chemical properties of pellets were estimated. Comparing the obtained results with the standards and literature sources, it can be said that moisture content, ash content and calorific values are the most important parameters for quality analysis which decide on applicability and use-value of biomass energy pellets, as biofuel. This paper also shows the impact of biofuels on the quality of environmental protection. The conclusion provides a clear statement of quality of biomass energy pellets.

  4. Mechanistic diversity of the van Leusen reaction applied to 6-ketomorphinans and synthetic potential of the resulting acrylonitrile substructures.

    Science.gov (United States)

    Schütz, Johannes; Windisch, Petra; Kristeva, Elka; Wurst, Klaus; Ongania, Karl-Hans; Horvath, Ulrike E I; Schottenberger, Herwig; Laus, Gerhard; Schmidhammer, Helmut

    2005-06-24

    Tosylmethyl isocyanide was used to convert 7,8-didehydro-6-ketomorphinans to 6,7-didehydromorphinan-6-carbonitriles with retainment of the 4,5-epoxy ring. However, ring opening occurred in the presence of NaH giving 5,6,7,8-tetradehydromorphinan-6-carbonitriles. Addition of nucleophiles such as Li diisopropylamide or Grignard reagents to the acrylonitrile substructure yielded ring-opened 5,6-didehydro products. Seven products were characterized by X-ray crystal structure analysis and revealed insight into the mechanistic diversity of the van Leusen reaction.

  5. Assessing the Importance of Nonlinearities in the Development of a Substructure Model for the Wind Turbine CAE Tool FAST: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Damiani, R.; Jonkman, J.; Robertson, A.; Song, H.

    2013-03-01

    Design and analysis of wind turbines are performed using aero-servo-elastic tools that account for the nonlinear coupling between aerodynamics, controls, and structural response. The NREL-developed computer-aided engineering (CAE) tool FAST also resolves the hydrodynamics of fixed-bottom structures and floating platforms for offshore wind applications. This paper outlines the implementation of a structural-dynamics module (SubDyn) for offshore wind turbines with space-frame substructures into the current FAST framework, and focuses on the initial assessment of the importance of structural nonlinearities. Nonlinear effects include: large displacements, axial shortening due to bending, cross-sectional transverse shear effects, etc.

  6. Computational analysis of RNA structures with chemical probing data.

    Science.gov (United States)

    Ge, Ping; Zhang, Shaojie

    2015-06-01

    RNAs play various roles, not only as the genetic codes to synthesize proteins, but also as the direct participants of biological functions determined by their underlying high-order structures. Although many computational methods have been proposed for analyzing RNA structures, their accuracy and efficiency are limited, especially when applied to the large RNAs and the genome-wide data sets. Recently, advances in parallel sequencing and high-throughput chemical probing technologies have prompted the development of numerous new algorithms, which can incorporate the auxiliary structural information obtained from those experiments. Their potential has been revealed by the secondary structure prediction of ribosomal RNAs and the genome-wide ncRNA function annotation. In this review, the existing probing-directed computational methods for RNA secondary and tertiary structure analysis are discussed.

  7. Method for fractional solid-waste sampling and chemical analysis

    DEFF Research Database (Denmark)

    Riber, Christian; Rodushkin, I.; Spliid, Henrik

    2007-01-01

    to repeated particle-size reduction, mixing, and mass reduction until a sufficiently small but representative sample was obtained for digestion prior to chemical analysis. The waste-fraction samples were digested according to their properties for maximum recognition of all the studied substances. By combining...... four subsampling methods and five digestion methods, paying attention to the heterogeneity and the material characteristics of the waste fractions, it was possible to determine 61 substances with low detection limits, reasonable variance, and high accuracy. For most of the substances of environmental...... concern, the waste-sample concentrations were above the detection limit (e.g. Cd gt; 0.001 mg kg-1, Cr gt; 0.01 mg kg-1, Hg gt; 0.002 mg kg-1, Pb gt; 0.005 mg kg-1). The variance was in the range of 5-100%, depending on material fraction and substance as documented by repeated sampling of two highly...

  8. Chemical gas analyzers for proximate analysis of mine atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Pochenkova, T.K.; Klassovskaya, N.A.; Zlenko, A.G.; Gus' kova, A.N. (Vsesoyuznyi Nauchno-Issledovatel' skii Institut Gornogo Dela, Donetsk (Ukraine))

    1992-09-01

    Describes a series of chemical gas analyzers developed by the VNIIGD institute for proximate analysis of mine atmosphere in coal mines. The new GKh-4, GKh-5, GKh-6, GKh CO-5 use detector tubes for carbon monoxide and dioxide, nitrogen oxides, sulfur dioxide, oxygen and hydrogen sulfide. These devices allow miners to determine gas concentrations in the mine atmosphere in less than 4 minutes with an accuracy of +/-25%. The series is now complemented by the GKh-M CH[sub 2]O-0.004 gas analyzer for measuring formaldehyde content in mine air during mine rescue operations conducted with the use of carbamide-formaldehyde resins. Key technical data on the gas analyzers are given.

  9. Structural Analysis Of Alfa Fibers After Chemical Treatment

    Directory of Open Access Journals (Sweden)

    Zakaria Mouallif

    2015-02-01

    Full Text Available Nowadays, natural fibers are used as reinforcement in composite materials. The Alfa fibers have undergone an alkaline treatment with sodium hydroxide NaOH at a concentration of 10%, during an immersion period of two days. After drying, the Fourier transform infrared spectroscopy by attenuated total reflection (FTIR-ATR and X-ray diffraction (XRD were used for the analysis of the chemical properties of these fibers which were extracted from the plant Alfa of the region Al Haouz (Morocco in order to study the modifications resulting from the alkaline treatment. The results proved the presence of the cellulose, with an increase in its proportion in those fibers which have undergone an alkaline treatment with NaOH, the presence of lignin and pectin, as well as their disappearance after the alkaline extraction.

  10. Advances in the Chemical Analysis and Biological Activities of Chuanxiong

    Directory of Open Access Journals (Sweden)

    Jin-Ao Duan

    2012-09-01

    Full Text Available Chuanxiong Rhizoma (Chuan-Xiong, CX, the dried rhizome of Ligusticum chuanxiong Hort. (Umbelliferae, is one of the most popular plant medicines in the World. Modern research indicates that organic acids, phthalides, alkaloids, polysaccharides, ceramides and cerebrosides are main components responsible for the bioactivities and properties of CX. Because of its complex constituents, multidisciplinary techniques are needed to validate the analytical methods that support CX’s use worldwide. In the past two decades, rapid development of technology has advanced many aspects of CX research. The aim of this review is to illustrate the recent advances in the chemical analysis and biological activities of CX, and to highlight new applications and challenges. Emphasis is placed on recent trends and emerging techniques.

  11. Jet Substructure at the Tevatron and LHC: New results, new tools, new benchmarks

    CERN Document Server

    Altheimer, A; Asquith, L; Brooijmans, G; Butterworth, J; Campanelli, M; Chapleau, B; Cholakian, A E; Chou, J P; Dasgupta, M; Davison, A; Dolen, J; Ellis, S D; Essig, R; Fan, J J; Field, R; Fregoso, A; Gallicchio, J; Gershtein, Y; Gomes, A; Haas, A; Halkiadakis, E; Halyo, V; Hoeche, S; Hook, A; Hornig, A; Huang, P; Izaguirre, E; Jankowiak, M; Kribs, G; Krohn, D; Larkoski, A J; Lath, A; Lee, C; Lee, S J; Loch, P; Maksimovic, P; Martinez, M; Miller, D W; Plehn, T; Prokofiev, K; Rahmat, R; Rappoccio, S; Safonov, A; Salam, G P; Schumann, S; Schwartz, M D; Schwartzman, A; Seymour, M; Shao, J; Sinervo, P; Son, M; Soper, D E; Spannowsky, M; Stewart, I W; Strassler, M; Strauss, E; Takeuchi, M; Thaler, J; Thomas, S; Tweedie, B; Vasquez Sierra, R; Vermilion, C K; Villaplana, M; Vos, M; Wacker, J; Walker, D; Walsh, J R; Wang, L-T; Wilbur, S; Yavin, I; Zhu, W

    2012-01-01

    In this report we review recent theoretical progress and the latest experimental results in jet substructure from the Tevatron and the LHC. We review the status of and outlook for calculation and simulation tools for studying jet substructure. Following up on the report of the Boost 2010 workshop, we present a new set of benchmark comparisons of substructure techniques, focusing on the set of variables and grooming methods that are collectively known as "top taggers". To facilitate further exploration, we have attempted to collect, harmonise, and publish software implementations of these techniques.

  12. ANALYSIS OF SAMPLES FROM TANK 6F CHEMICAL CLEANING

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, M.; Fink, S.

    2010-02-02

    Savannah River Remediation (SRR) is preparing Tank 6F for closure. The first step in preparing the tank for closure is mechanical sludge removal. In mechanical sludge removal, personnel add liquid (e.g., inhibited water or supernate salt solution) to the tank to form a slurry. They mix the liquid and sludge with pumps, and transfer the slurry to another tank for further processing. Mechanical sludge removal effectively removes the bulk of the sludge from a tank, but is not able to remove all of the sludge. In Tank 6F, SRR estimated a sludge heel of 5,984 gallons remained after mechanical sludge removal. To remove this sludge heel, SRR performed chemical cleaning. The chemical cleaning included two oxalic acid strikes, a spray wash, and a water wash. SRR conducted the first oxalic acid strike as follows. Personnel added 110,830 gallons of 8 wt % oxalic acid to Tank 6F and mixed the contents of Tank 6F with two submersible mixer pumps (SMPs) for approximately four days. Following the mixing, they transferred 115,903 gallons of Tank 6F material to Tank 7F. The SMPs were operating when the transfer started and were shut down approximately five hours after the transfer started. SRR collected a sample of the liquid from Tank 6F and submitted it to SRNL for analysis. Mapping of the tank following the transfer indicated that 2,400 gallons of solids remained in the tank. SRR conducted the second oxalic acid strike as follows. Personnel added 28,881 gallons of 8 wt % oxalic acid to Tank 6F. Following the acid addition, they visually inspected the tank and transferred 32,247 gallons of Tank 6F material to Tank 7F. SRR collected a sample of the liquid from Tank 6F and submitted it to SRNL for analysis. Mapping of the tank following the transfer indicated that 3,248 gallons of solids remained in the tank. Following the oxalic acid strikes, SRR performed Spray Washing with oxalic acid to remove waste collected on internal structures, cooling coils, tank top internals, and tank

  13. Meta-Analysis of the Chemical and Non-Chemical Stressors Affecting Childhood Obesity

    Science.gov (United States)

    Worldwide, approximately 42 million children under the age of 5 years are considered overweight or obese. While much research has focused on individual behaviors impacting obesity, little research has emphasized the complex interactions of numerous chemical and non-chemical stres...

  14. Flow Injection Analysis and Liquid Chromatography for Multifunctional Chemical Analysis (MCA) Systems

    Science.gov (United States)

    Mayo, Ana V.; Loegel, Thomas N.; Bretz, Stacey Lowery; Danielson, Neil D.

    2013-01-01

    The large class sizes of first-year chemistry labs makes it challenging to provide students with hands-on access to instrumentation because the number of students typically far exceeds the number of research-grade instruments available to collect data. Multifunctional chemical analysis (MCA) systems provide a viable alternative for large-scale…

  15. ACTINIDE REMOVAL PROCESS SAMPLE ANALYSIS, CHEMICAL MODELING, AND FILTRATION EVALUATION

    Energy Technology Data Exchange (ETDEWEB)

    Martino, C.; Herman, D.; Pike, J.; Peters, T.

    2014-06-05

    Filtration within the Actinide Removal Process (ARP) currently limits the throughput in interim salt processing at the Savannah River Site. In this process, batches of salt solution with Monosodium Titanate (MST) sorbent are concentrated by crossflow filtration. The filtrate is subsequently processed to remove cesium in the Modular Caustic Side Solvent Extraction Unit (MCU) followed by disposal in saltstone grout. The concentrated MST slurry is washed and sent to the Defense Waste Processing Facility (DWPF) for vitrification. During recent ARP processing, there has been a degradation of filter performance manifested as the inability to maintain high filtrate flux throughout a multi-batch cycle. The objectives of this effort were to characterize the feed streams, to determine if solids (in addition to MST) are precipitating and causing the degraded performance of the filters, and to assess the particle size and rheological data to address potential filtration impacts. Equilibrium modelling with OLI Analyzer{sup TM} and OLI ESP{sup TM} was performed to determine chemical components at risk of precipitation and to simulate the ARP process. The performance of ARP filtration was evaluated to review potential causes of the observed filter behavior. Task activities for this study included extensive physical and chemical analysis of samples from the Late Wash Pump Tank (LWPT) and the Late Wash Hold Tank (LWHT) within ARP as well as samples of the tank farm feed from Tank 49H. The samples from the LWPT and LWHT were obtained from several stages of processing of Salt Batch 6D, Cycle 6, Batch 16.

  16. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

    Directory of Open Access Journals (Sweden)

    Hanwell Marcus D

    2012-08-01

    Full Text Available Abstract Background The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible, high quality rendering, and a powerful plugin architecture. Typical uses include building molecular structures, formatting input files, and analyzing output of a wide variety of computational chemistry packages. By using the CML file format as its native document type, Avogadro seeks to enhance the semantic accessibility of chemical data types. Results The work presented here details the Avogadro library, which is a framework providing a code library and application programming interface (API with three-dimensional visualization capabilities; and has direct applications to research and education in the fields of chemistry, physics, materials science, and biology. The Avogadro application provides a rich graphical interface using dynamically loaded plugins through the library itself. The application and library can each be extended by implementing a plugin module in C++ or Python to explore different visualization techniques, build/manipulate molecular structures, and interact with other programs. We describe some example extensions, one which uses a genetic algorithm to find stable crystal structures, and one which interfaces with the PackMol program to create packed, solvated structures for molecular dynamics simulations. The 1.0 release series of Avogadro is the main focus of the results discussed here. Conclusions Avogadro offers a semantic chemical builder and platform for visualization and analysis. For users, it offers an easy-to-use builder, integrated support for downloading from common databases such as PubChem and the Protein Data Bank, extracting chemical data from a wide variety of formats, including computational chemistry output, and native, semantic support for the CML file format

  17. Ion beam modifications of defect sub-structure of calcite cleavages

    Indian Academy of Sciences (India)

    E Venkateshwar Rao; M Ramakrishna Murthy

    2008-04-01

    Experimental investigations on the defect sub-structure and surface modifications, brought about by He+ ion-bombardment of calcite cleavages (100), have been carried out. Optical and scanning electron microscopic investigations revealed drastic modifications on the surface morphology, local symmetry and defect concentration. Additional structural defects on ion-bombardment of calcite surfaces also have been observed. Changes in shape and form of chemical etch pits are found to be a function of ion-beam energy, as studied by optical microscopy. Radiation damage in calcite has been attributed mainly due to desorption of CO$^{-2}_{3}$ ions from the calcite surfaces, on irradiation. Measurements of surface conductivity on irradiated calcite surfaces have been made employing a four-probe technique. Enhancement of surface conductivity has been considered to be due to an increase in concentration of CO$^{-2}_{3}$ ions formed, on ion irradiation and subsequent thermal stimulation. Planar plastic anisotropy has been studied on irradiated calcite cleavages by measurement of microhardness.

  18. Inspection of Asian Lacquer Substructures by Terahertz Time-Domain Imaging (THz-TDI)

    Science.gov (United States)

    Dandolo, Corinna Ludovica Koch; Fukunaga, Kaori; Kohzuma, Yoshei; Kiriyama, Kyoko; Matsuda, Kazutaka; Jepsen, Peter Uhd

    2017-04-01

    Lacquering is considered one of the most representative Asian artistic techniques. While the decorative part of lacquerwares is the lacquer itself, their substructures serve as the backbone of the object itself. Very little is known about these hidden substructures. Since lacquerwares are mostly composed of organic materials, such as urushi, wood, carbon black, and fabrics which are very X-ray transparent, standard X-ray radiography has some problems in achieving clear X-ray radiographic images. Therefore, we wanted to contribute to the understanding of the lacquer manufacturing technique by inspecting the substructures of Asian lacquerwares by means of THz time-domain imaging (THz-TDI). Three different kinds of Asian lacquerwares were examined by THz-TDI, and the outcomes have been compared with those obtained by standard X-radiography. THz-TDI provides unique information on lacquerwares substructures, aiding in the comprehension of the manufacturing technology yielding to these precious artefacts.

  19. A New Publicly Available Chemical Query Language, CSRML, to support Chemotype Representations for Application to Data-Mining and Modeling

    Science.gov (United States)

    A new XML-based query language, CSRML, has been developed for representing chemical substructures, molecules, reaction rules, and reactions. CSRML queries are capable of integrating additional forms of information beyond the simple substructure (e.g., SMARTS) or reaction transfor...

  20. Pseudoscalar searches with dileptonic tops and jet substructure

    Science.gov (United States)

    Gonçalves, Dorival; López-Val, David

    2016-11-01

    The quest for new heavy states is a critical component of the LHC physics program. In this paper, we study the search for pseudoscalar bosons produced in association with a t t ¯ pair. We consider the final state t t ¯A →t t ¯b b ¯ with a dileptonic top-pair signature, and reconstruct the boosted A →b b ¯ candidate with jet substructure techniques, achieving a remarkable sensitivity over a broad range of pseudoscalar masses and Yukawa couplings. We apply this strategy to a type-I two-Higgs-doublet model (2HDM), demonstrating its ability to probe a realistic, UV-complete extended Higgs sector. In particular, we find that the 13 TeV LHC with 300 fb-1 of data can constrain the region tan β >1.5 at 95% C.L. for a light pseudoscalar with mA=50 GeV . Moreover, the whole mass range 20 GeV

  1. Shaken and Stirred: The Milky Way's Dark Substructures

    CERN Document Server

    Sawala, Till; Johansson, Peter H; Frenk, Carlos S; Navarro, Julio F; Oman, Kyle A; White, Simon D M

    2016-01-01

    The predicted abundance and properties of the low-mass substructures embedded inside larger dark matter haloes differ sharply among alternative dark matter models. Too small to host galaxies themselves, these subhaloes may still be detected via gravitational lensing, or via perturbations of the Milky Way's globular cluster streams and its stellar disk. Here we use the Apostle cosmological simulations to predict the abundance and the spatial and velocity distributions of subhaloes in the range 10^6.5-10^8.5 solar masses inside haloes of mass ~ 10^12 solar masses in LCDM. Although these subhaloes are themselves devoid of baryons, we find that baryonic effects are important. Compared to corresponding dark matter only simulations, the loss of baryons from subhaloes and stronger tidal disruption due to the presence of baryons near the centre of the main halo, reduce the number of subhaloes by ~ 1/4 to 1/2, independently of subhalo mass, but increasingly towards the host halo centre. We also find that subhaloes hav...

  2. Probing the substructure of $f_0(1370)$

    CERN Document Server

    Fariborz, Amir H; Asrar, Abdorreza

    2015-01-01

    Within an effective nonlinear chiral Lagrangian framework the substructure of $f_0(1370)$ is studied. The investigation is conducted in the context of a global picture of scalar mesons in which the importance of the underlying connections among scalar mesons below and above 1 GeV is recognized and implemented. These connections are due to the mixings among various quark-antiquarks, four-quarks and glue components and play a central role in understanding the properties of scalar mesons. Iterative Monte Carlo simulations are first performed on the 14-dimensional parameter space of the model and sets of points in this parameter space (the global sets) that give an overall agreement with all experimental data on mass spectrum, various decay widths and decay ratios of all isosinglet scalar states below 2 GeV are determined. Then within each global set, subsets that give closest agreement for the properties of $f_0(1370)$ are studied. Unlike the properties of other isosinglet states that show a range of variation w...

  3. Jet substructure using semi-inclusive jet functions within SCET

    CERN Document Server

    Kang, Zhong-Bo; Vitev, Ivan

    2016-01-01

    We propose a new method to evaluate jet substructure observables in inclusive jet measurements based upon semi-inclusive jet functions within the framework of Soft Collinear Effective Theory (SCET). In this work we consider the jet fragmentation function, where a hadron $h$ is identified inside a fully reconstructed jet as a first example. We introduce a new semi-inclusive fragmenting jet function ${\\mathcal G}^h_i(z= \\omega_J/\\omega,z_h=\\omega_h/\\omega_J,\\omega_J, R,\\mu)$ which depends on the jet radius $R$ and the large light-cone momenta of the parton '$i$' initiating the jet ($\\omega$), the jet ($\\omega_J$), and the hadron $h$ ($\\omega_h$). We are then able to express the jet fragmentation function as a semi-inclusive jet observable rather than as an exclusive one, which is closer to the actual experimental measurements. We demonstrate the consistency of the effective field theory treatment and standard perturbative QCD calculations at next-to-leading order (NLO). We further derive the renormalization gro...

  4. Virtual sensing of structural vibrations using dynamic substructuring

    Science.gov (United States)

    Kullaa, Jyrki

    2016-10-01

    Virtual sensing techniques use information available from a limited set of physical sensors together with the finite element model to calculate an estimate of the quantity of interest. In structural dynamics applications, analytical mode shapes from the finite element model are typically used as a basis to estimate the response at unmeasured locations by an expansion algorithm. An alternative is to model only the interesting part of the structure using substructuring techniques, in which the natural modes are replaced by component modes consisting of a selected number of fixed interface modes plus the interface constraint modes. They are mutually independent and compose a valid subspace for estimating the unmeasured response. If the number of interface degrees of freedom is large, interface reduction is applied. The main advantage of the proposed approach is that the modelling effort can be substantially decreased, because only part of the structure is modelled and the modelling uncertainties, non-linearities, or changes in the omitted structure can be ignored. The method is validated by numerical simulations of three different structures under unknown excitation. Different types and locations of virtual sensors are studied. Also, the effects of noise and model errors are investigated. The most accurate estimation is obtained if the virtual sensor is located away from the interface and close to a physical sensor.

  5. Substructural influence in the hot rolling of Al alloys

    Science.gov (United States)

    McQueen, H. J.

    1998-06-01

    The industrial rolling of aluminum alloys is generally conducted in multistage schedules of 10-15 passes partly on reversing mills and partly on continuous mills with temperature declining from 500°C to between 300°C and 250°C. Static recrystallization may take place in long intervals after passes with higher temperature and strain. During lower temperature intervals, only static recovery takes place so that in the following passes the flow curves exhibit higher initial stresses. Dynamic recovery decreases gradually through the hot-, warm-, and cold-working ranges but is reduced as the concentration of solutes and particles increase. Recrystallization is much more sensitive to temperature and alloying and is retarded by increased dynamic recovery. The texture of sheet depends on lattice-dependent Taylor rotations during dislocation slip, enhanced recovery of certain deformation band orientations, and preferred nucleation and growth during interpass pauses or annealing. Schedule optimization can be guided by physical simulation or modeling based on recrystallization kinetics to attain selected strengthening substructure, recrystallized grain size, and texture for product earing control.

  6. 3D thermo-chemical-mechanical analysis of the pultrusion process

    DEFF Research Database (Denmark)

    Baran, Ismet; Hattel, Jesper Henri; Tutum, Cem C.

    2013-01-01

    In the present study, a 3D Eulerian thermo-chemical analysis is sequentially coupled with a 3D Lagrangian quasi static mechanical analysis of the pultrusion process. The temperature and degree of cure profiles at the steady state are first calculated in the thermo-chemical analysis...

  7. Substructure in the Most Massive GEEC Groups: Field-like Populations in Dynamically Active Groups

    CERN Document Server

    Hou, Annie; Wilman, David J; McGee, Sean L; Harris, William E; Connelly, Jennifer L; Balogh, Michael L; Mulchaey, John S; Bower, Richard G

    2012-01-01

    The presence of substructure in galaxy groups and clusters is believed to be a sign of recent galaxy accretion and can be used not only to probe the assembly history of these structures, but also the evolution of their member galaxies. Using the Dressler-Shectman (DS) Test, we study substructure in a sample of intermediate redshift (z ~ 0.4) galaxy groups from the Group Environment and Evolution Collaboration (GEEC) group catalog. We find that 4 of the 15 rich GEEC groups, with an average velocity dispersion of ~525 km s-1, are identified as having significant substructure. The identified regions of localized substructure lie on the group outskirts and in some cases appear to be infalling. In a comparison of galaxy properties for the members of groups with and without substructure, we find that the groups with substructure have a significantly higher fraction of blue and star-forming galaxies and a parent colour distribution that resembles that of the field population rather than the overall group population....

  8. Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2

    Directory of Open Access Journals (Sweden)

    Ehrlich Hans-Christian

    2012-07-01

    Full Text Available Abstract Background Searching for substructures in molecules belongs to the most elementary tasks in cheminformatics and is nowadays part of virtually every cheminformatics software. The underlying algorithms, used over several decades, are designed for the application to general graphs. Applied on molecular graphs, little effort has been spend on characterizing their performance. Therefore, it is not clear how current substructure search algorithms behave on such special graphs. One of the main reasons why such an evaluation was not performed in the past was the absence of appropriate data sets. Results In this paper, we present a systematic evaluation of Ullmann’s and the VF2 subgraph isomorphism algorithms on molecular data. The benchmark set consists of a collection of 1235 SMARTS substructure expressions and selected molecules from the ZINC database. The benchmark evaluates substructures search times for complete database scans as well as individual substructure-molecule pairs. In detail, we focus on the influence of substructure formulation and size, the impact of molecule size, and the ability of both algorithms to be used on multiple cores. Conclusions The results show a clear superiority of the VF2 algorithm in all test scenarios. In general, both algorithms solve most instances in less than one millisecond, which we consider to be acceptable. Still, in direct comparison, the VF2 is most often several folds faster than Ullmann’s algorithm. Additionally, Ullmann’s algorithm shows a surprising number of run time outliers.

  9. Wellbore stability analysis in chemically active shale formations

    Directory of Open Access Journals (Sweden)

    Shi Xiang-Chao

    2016-01-01

    Full Text Available Maintaining wellbore stability involves significant challenges when drilling in low-permeability reactive shale formations. In the present study, a non-linear thermo-chemo-poroelastic model is provided to investigate the effect of chemical, thermal, and hydraulic gradients on pore pressure and stress distributions near the wellbores. The analysis indicates that when the solute concentration of the drilling mud is higher than that of the formation fluid, the pore pressure and the effective radial and tangential stresses decrease, and v. v. Cooling of the lower salinity formation decreases the pore pressure, radial and tangential stresses. Hole enlargement is the combined effect of shear and tensile failure when drilling in high-temperature shale formations. The shear and tensile damage indexes reveal that hole enlargement occurs in the vicinity of the wellbore at an early stage of drilling. This study also demonstrates that shale wellbore stability exhibits a time-delay effect due to changes in the pore pressure and stress. The delay time computed with consideration of the strength degradation is far less than that without strength degradation.

  10. A spectroscopic analysis of the chemically peculiar star HD207561

    CERN Document Server

    Joshi, S; Martinez, P; Sachkov, M; Joshi, Y C; Seetha, S; Chakradhari, N K; Mary, D L; Girish, V; Ashoka, B N

    2012-01-01

    In this paper we present a high-resolution spectroscopic analysis of the chemically peculiar star HD207561. During a survey programme to search for new roAp stars in the Northern hemisphere, Joshi et al. (2006) observed significant photometric variability on two consecutive nights in the year 2000. The amplitude spectra of the light curves obtained on these two nights showed oscillations with a frequency of 2.79 mHz [P~6-min]. However, subsequent follow-up observations could not confirm any rapid variability. In order to determine the spectroscopic nature of HD207561, high-resolution spectroscopic and spectro-polarimetric observations were carried out. A reasonable fit of the calculated Hbeta line profile to the observed one yields the effective temperature (Teff) and surface gravity (log g) as 7300 K and 3.7 dex, respectively. The derived projected rotational velocity (vsin i) for HD207561 is 74 km/sec indicative of a relatively fast rotator. The position of HD207561 in the H-R diagram implies that this is s...

  11. Nonradiological chemical pathway analysis and identification of chemicals of concern for environmental monitoring at the Hanford Site

    Energy Technology Data Exchange (ETDEWEB)

    Blanton, M.L.; Cooper, A.T.; Castleton, K.J.

    1995-11-01

    Pacific Northwest`s Surface Environmental Surveillance Project (SESP) is an ongoing effort tot design, review, and conducted monitoring on and off the Hanford site. Chemicals of concern that were selected are listed. Using modeled exposure pathways, the offsite cancer incidence and hazard quotient were calculated and a retrospective pathway analysis performed to estimate what onsite concentrations would be required in the soil for each chemical of concern and other detected chemicals that would be required to obtain an estimated offsite human-health risk of 1.0E-06 cancer incidence or 1.0 hazard quotient. This analysis indicates that current nonradiological chemical contamination occurring on the site does not pose a significant offsite human-health risk; the highest cancer incidence to the offsite maximally exposed individual was from arsenic (1.76E-10); the highest hazard quotient was chromium(VI) (1.48E-04). The most sensitive pathways of exposure were surfacewater and aquatic food consumption. Combined total offsite excess cancer incidence was 2.09E-10 and estimated hazard quotient was 2.40E-04. Of the 17 identified chemicals of concern, the SESP does not currently (routinely) monitor arsenic, benzo(a)pyrene, bis(2- ethylhexyl)phthalate (BEHP), and chrysene. Only 3 of the chemicals of concern (arsenic, BEHP, chloroform) could actually occur in onsite soil at concern high enough to cause a 1.0E-06 excess cancer incidence or a 1.0 hazard index for a given offsite exposure pathway. During the retrospective analysis, 20 other chemicals were also evaluated; only vinyl chloride and thallium could reach targeted offsite risk values.

  12. Nuclear substructure reorganization during late stageerythropoiesis is selective and does not involve caspase cleavage ofmajor nuclear substructural proteins

    Energy Technology Data Exchange (ETDEWEB)

    Krauss, Sharon Wald; Lo, Annie J.; Short, Sarah A.; Koury, MarkJ.; Mohandas, Narla; Chasis, Joel Anne

    2005-04-06

    Enucleation, a rare feature of mammalian differentiation, occurs in three cell types: erythroblasts, lens epithelium and keratinocytes. Previous investigations suggest that caspase activation functions in lens epithelial and keratinocyte enucleation, as well as in early erythropoiesis encompassing BFU-E differentiation to proerythroblast. To determine whether caspase activation contributes to later erythropoiesis and whether nuclear substructures other than chromatin reorganize, we analyzed distributions of nuclear subcompartment proteins and assayed for caspase-induced cleavage of subcompartmental target proteins in mouse erythroblasts. We found that patterns of lamin B in the filamentous network interacting with both the nuclear envelope and DNA, nuclear matrix protein NuMA, and splicing factors Sm and SC35 persisted during nuclear condensation, consistent with effective transcription of genes expressed late in differentiation. Thus nuclear reorganization prior to enucleation is selective, allowing maintenance of critical transcriptional processes independent of extensive chromosomal reorganization. Consistent with these data, we found no evidence for caspase-induced cleavage of major nuclear subcompartment proteins during late erythropoiesis, in contrast to what has been observed in early erythropoiesis and in lens epithelial and keratinocyte differentiation. These findings imply that nuclear condensation and extrusion during terminal erythroid differentiation involve novel mechanisms that do not entail major activation of apoptotic machinery.

  13. Thermodynamic analysis of alternate energy carriers, hydrogen and chemical heat pipes

    Science.gov (United States)

    Cox, K. E.; Carty, R. H.; Conger, W. L.; Soliman, M. A.; Funk, J. E.

    1976-01-01

    Hydrogen and chemical heat pipes were proposed as methods of transporting energy from a primary energy source (nuclear, solar) to the user. In the chemical heat pipe system, primary energy is transformed into the energy of a reversible chemical reaction; the chemical species are then transmitted or stored until the energy is required. Analysis of thermochemical hydrogen schemes and chemical heat pipe systems on a second law efficiency or available work basis show that hydrogen is superior especially if the end use of the chemical heat pipe is electrical power.

  14. Boosting the charged Higgs search prospects using jet substructure at the LHC

    Science.gov (United States)

    Li, Jinmian; Patrick, Riley; Sharma, Pankaj; Williams, Anthony G.

    2016-11-01

    Charged Higgs bosons are predicted in variety of theoretically well-motivated new physics models with extended Higgs sectors. In this study, we focus on a type-II two Higgs doublet model (2HDM-II) and consider a heavy charged Higgs with its mass ranging from 500 GeV to 1 TeV as dictated by the b → sγ constraints which render M H ± > 480 GeV. We study the dominant production mode H ± t associated production with H ± → W ± A being the dominant decay channel when the pseudoscalar A is considerably lighter. For such a heavy charged Higgs, both the decay products W ± and A are relatively boosted. In such a scenario, we apply the jet substructure analysis of tagging the fat pseudoscalar and W jets in order to eliminate the standard model background efficiently. We perform a detailed detector simulation for the signal and background processes at the 14 TeV LHC. We introduce various kinematical cuts to determine the signal significance for a number of benchmark points with charged Higgs boson mass from 500 GeV to 1 TeV in the W ± A decay channel. Finally we perform a multivariate analysis utilizing a boosted decision tree algorithm to optimize these significances.

  15. The Extraordinary Amount of Substructure in the Hubble Frontier Fields Cluster Abell 2744

    Science.gov (United States)

    Jauzac, M.; Eckert, D.; Schwinn, J.; Harvey, D.; Baugh, C. M.; Robertson, A.; Bose, S.; Massey, R.; Owers, M.; Ebeling, H.; Shan, H. Y.; Jullo, E.; Kneib, J.-P.; Richard, J.; Atek, H.; Clément, B.; Egami, E.; Israel, H.; Knowles, K.; Limousin, M.; Natarajan, P.; Rexroth, M.; Taylor, P.; Tchernin, C.

    2016-09-01

    We present a joint optical/X-ray analysis of the massive galaxy cluster Abell 2744 (z=0.308). Our strong- and weak-lensing analysis within the central region of the cluster, i.e., at R Newton reveal four remnant cores, one of them a new detection, and three shocks. Unlike Merten et al. (2011), we find all cores to have both dark and luminous counterparts. A comparison with clusters of similar mass in the MXXL simulations yields no objects with as many massive substructures as observed in Abell 2744, confirming that Abell 2744 is an extreme system. We stress that these properties still do not constitute a challenge to ΛCDM, as caveats apply to both the simulation and the observations: for instance, the projected mass measurements from gravitational lensing and the limited resolution of the sub-haloes finders. We discuss implications of Abell 2744 for the plausibility of different dark-matter candidates and, finally, measure a new upper limit on the self-interaction cross-section of dark matter of σDM < 1.28 cm2g-1(68% CL), in good agreement with previous results from Harvey et al. (2015).

  16. Exploring a heavy charged Higgs using jet substructure in a fully hadronic channel

    CERN Document Server

    Patrick, Riley; Williams, Anthony G

    2016-01-01

    In the framework of the type-II Two Higgs Doublet Model (2HDM-II) a charged Higgs search strategy is presented for the dominant production mode $gb \\rightarrow tH^\\pm$ at the 14 TeV LHC. We consider the decay process which includes $t \\rightarrow bW^\\pm$ and $H^\\pm \\rightarrow AW^\\pm$, and a fully hadronic final state consisting of $bb\\bar{b}+\\mbox{jets}+X$. Dictated by the $b \\rightarrow s\\gamma$ constraints which render $M_{H^\\pm} > 480$ GeV we study two scenarios in which the charged Higgs mass is 750 GeV and the pseudoscalar Higgs mass is 200 GeV and 500 GeV. In this mass scheme highly boosted final state objects are expected and handled with jet substructure techniques which also acts to suppress the standard model background. A detailed detector analysis is performed, followed by a multivariate analysis involving many kinematic variables to optimize signal to background significance. Finally the LHC search sensitivities for the two scenarios are presented for various integrated luminosities.

  17. Common substructure in otoacoustic emission spectra of land vertebrates

    Science.gov (United States)

    Manley, Geoffrey A.; Köppl, Christine; Bergevin, Christopher

    2015-12-01

    In humans, a similar spectral periodicity is found in all otoacoustic emission types and in threshold fine structure. This may reflect travelling wave phase and reflectance from "structural roughness" in the organ of Corti, or entrainment and suppressive interactions between emissions. To further understand these phenomena, we have examined spontaneous otoacoustic emission (SOAE) spectra in 9 lizard species and the barn owl and find a comparable periodicity. Importantly, the frequency spacing between SOAE peaks was independent of the physical spacing and of the frequency space constants in hearing organs. In 9 lizard species, median spectral gaps lay between 219 and 461 Hz, with no correlation to papillar length (0.3 to 2.1 mm). Similarly in much longer organs: In humans (35 mm), SOAE spectral gaps vary up to 220 Hz at 4 kHz; in the barn owl (11 mm), the median SOAE peak spacing was 395Hz. In the barn owl, a very large space constant between 5 and 10 kHz (5 mm/octave) contrasts with stable SOAE spacing between 1 and 11 kHz. Similar SOAE spectral gaps across all species suggests they represent a basic frequency grating revealing local phase-dependent interactions between active hair cells, a feature not determined by macro-structural anatomy. Emission spectral spacing is independent of cochlear length, of the frequency space constant, of the existence of travelling waves or of a tectorial membrane. Our data suggest that there are greater similarities between frequency selectivity reflected at the level of the hair cells' spontaneous mechanical output (OAEs) than there are at the level of the auditory nerve, where macro-structural anatomy links hair-cell activity differentially to the neural output. Apparently, all hair-cell arrays show a similar frequency substructure not directly replicated in neural tuning.

  18. New Structural-Dynamics Module for Offshore Multimember Substructures within the Wind Turbine Computer-Aided Engineering Tool FAST: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Song, H.; Damiani, R.; Robertson, A.; Jonkman, J.

    2013-08-01

    FAST, developed by the National Renewable Energy Laboratory (NREL), is a computer-aided engineering (CAE) tool for aero-hydro-servo-elastic analysis of land-based and offshore wind turbines. This paper discusses recent upgrades made to FAST to enable loads simulations of offshore wind turbines with fixed-bottom, multimember support structures (e.g., jackets and tripods, which are commonly used in transitional-depth waters). The main theory and strategies for the implementation of the multimember substructure dynamics module (SubDyn) within the new FAST modularization framework are introduced. SubDyn relies on two main engineering schematizations: 1) a linear frame finite-element beam (LFEB) model and 2) a dynamics system reduction via Craig-Bampton's method. A jacket support structure and an offshore system consisting of a turbine atop a jacket substructure were simulated to test the SubDyn module and to preliminarily assess results against results from a commercial finite-element code.

  19. CLASH-VLT: Substructure in the galaxy cluster MACS J1206.2-0847 from kinematics of galaxy populations

    CERN Document Server

    Girardi, M; Balestra, I; Nonino, M; Biviano, A; Grillo, C; Rosati, P; Annunziatella, M; Demarco, R; Fritz, A; Gobat, R; Lemze, D; Presotto, V; Scodeggio, M; Tozzi, P; Caminha, G Bartosch; Brescia, M; Coe, D; Kelson, D; Koekemoer, A; Lombardi, M; Medezinski, E; Postman, M; Sartoris, B; Umetsu, K; Zitrin, A; Boschin, W; Czoske, O; De Lucia, G; Kuchner, U; Maier, C; Meneghetti, M; Monaco, P; Monna, A; Munari, E; Seitz, S; Verdugo, M; Ziegler, B

    2015-01-01

    In the effort to understand the link between the structure of galaxy clusters and their galaxy populations, we focus on MACS J1206.2-0847, at z~0.44, probing its substructure in the projected phase space through the spectrophotometric properties of a large number of galaxies from the CLASH-VLT survey. Our analysis is mainly based on an extensive spectroscopic dataset of 445 member galaxies, mostly acquired with VIMOS@VLT as part of our ESO Large Programme, sampling the cluster out to a radius ~2R200 (4 Mpc). We classify 412 galaxies as: passive, with strong Hdelta absorption (red and blue ones), and with emission lines from weak to very strong ones. A number of tests for substructure detection is applied to analyze the galaxy distribution in the velocity space, in the 2D space, and in the (3D) projected phase-space. Studied in its entirety, the cluster appears as a large-scale relaxed system with a few, secondary, minor overdensities in 2D distribution. We detect no velocity gradient or evidence of deviations...

  20. MUSTANG High Angular Resolution Sunyaev-Zel'dovich Effect Imaging of Sub-Structure in Four Galaxy Clusters

    CERN Document Server

    Korngut, P M; Reese, E D; Mason, B S; Devlin, M J; Mroczkowski, T; Sarazin, C L; Sun, M; Sievers, J

    2010-01-01

    We present 10" to 18" images of four massive clusters of galaxies through the Sunyaev-Zel'dovich Effect (SZE). These measurements, made at 90~GHz with the MUSTANG receiver on the Green Bank Telescope (GBT), reveal pressure sub-structure to the intra-cluster medium (ICM) in three of the four systems. We identify the likely presence of a previously unknown weak shock-front in MACS0744+3927. By fitting the Rankine-Hugoniot density jump conditions in a complementary SZE/X-ray analysis, we infer a Mach number of M = 1.2^{+0.2}_{-0.2} and a shock-velocity of 1827^{+267}_{-195}~km/s. In RXJ1347-1145, we present a new reduction of previously reported data and confirm the presence of a south-east SZE enhancement with a significance of 13.9 sigma when smoothed to 18" resolution. This too is likely caused by shock-heated gas produced in a recent merger. In our highest redshift system, CL1226+3332, we detect sub-structure at a peak significance of 4.6 sigma in the form of a ridge oriented orthogonally to the vector conne...

  1. Spectroscopic and quantum chemical analysis of Isonicotinic acid methyl ester

    Science.gov (United States)

    Shoba, D.; Periandy, S.; Govindarajan, M.; Gayathri, P.

    2015-02-01

    In this present study, an organic compound Isonicotinic acid methyl ester (INAME) was structurally characterized by FTIR, FT-Raman, and NMR and UV spectroscopy. The optimized geometrical parameters and energies of all different and possible conformers of INAME are obtained from Density Functional Theory (DFT) by B3LYP/6-311++G(d,p) method. There are three conformers (SI, SII-1, and SII-2) for this molecule (ground state). The most stable conformer of INAME is SI conformer. The molecular geometry and vibrational frequencies of INAME in the ground state have been calculated by using HF and density functional method (B3LYP) 6-311++G (d,p) basis set. Detailed vibrational spectral analysis has been carried out and assignments of the observed fundamental bands have been proposed on the basis of peak positions and relative intensities. The computed vibrational frequencies were compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. A study on the electronic properties, such as HOMO and LUMO energies were performed by time independent DFT approach. Besides, molecular electrostatic potential (MEP) and thermodynamic properties were performed. The electric dipole moment (μ) and first hyper polarizability (β) values of the investigated molecule were computed using ab initio quantum mechanical calculations. The calculated results show that the INAME molecule may have microscopic nonlinear optical (NLO) behavior with non zero values. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by gauge independent atomic orbital (GIAO) method.

  2. Meta-Analysis of the Chemical and Non-Chemical Stressors Affecting Childhood Obesity?

    Science.gov (United States)

    Background: Worldwide, approximately 42 million children under the age of 5 years are considered overweight or obese. While much research has focused on individual behaviors impacting obesity, little research has emphasized the complex interactions of numerous chemical and non-ch...

  3. Network structural analysis using directed graph for chemical reaction analysis in weakly-ionized plasmas

    Science.gov (United States)

    Nobuto, Kyosuke; Mizui, Yasutaka; Miyagi, Shigeyuki; Sakai, Osamu; Murakami, Tomoyuki

    2016-09-01

    We visualize complicated chemical reaction systems in weakly-ionized plasmas by analysing network structure for chemical processes, and calculate some indexes by assuming interspecies relationships to be a network to clarify them. With the current social evolution, the mean size of general data which we can use in computers grows huge, and significance of the data analysis increases. The methods of the network analysis which we focus on in this study do not depend on a specific analysis target, but the field where it has been already applied is still limited. In this study, we analyse chemical reaction systems in plasmas for configuring the network structure. We visualize them by expressing a reaction system in a specific plasma by a directed graph and examine the indexes and the relations with the characteristic of the species in the reaction system. For example, in the methane plasma network, the centrality index reveals importance of CH3 in an influential position of species in the reaction. In addition, silane and atmospheric pressure plasmas can be also visualized in reaction networks, suggesting other characteristics in the centrality indexes.

  4. CERENA: ChEmical REaction Network Analyzer--A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics.

    Science.gov (United States)

    Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J; Hasenauer, Jan

    2016-01-01

    Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/.

  5. Integrated label-free silicon nanowire sensor arrays for (bio)chemical analysis

    NARCIS (Netherlands)

    De, Arpita; Nieuwkasteele, van Jan; Carlen, Edwin T.; Berg, van den Albert

    2013-01-01

    We present a label-free (bio)chemical analysis platform that uses all-electrical silicon nanowire sensor arrays integrated with a small volume microfluidic flow-cell for real-time (bio)chemical analysis and detection. The integrated sensing platform contains an automated multi-sample injection syste

  6. Disclosure of hydraulic fracturing fluid chemical additives: analysis of regulations.

    Science.gov (United States)

    Maule, Alexis L; Makey, Colleen M; Benson, Eugene B; Burrows, Isaac J; Scammell, Madeleine K

    2013-01-01

    Hydraulic fracturing is used to extract natural gas from shale formations. The process involves injecting into the ground fracturing fluids that contain thousands of gallons of chemical additives. Companies are not mandated by federal regulations to disclose the identities or quantities of chemicals used during hydraulic fracturing operations on private or public lands. States have begun to regulate hydraulic fracturing fluids by mandating chemical disclosure. These laws have shortcomings including nondisclosure of proprietary or "trade secret" mixtures, insufficient penalties for reporting inaccurate or incomplete information, and timelines that allow for after-the-fact reporting. These limitations leave lawmakers, regulators, public safety officers, and the public uninformed and ill-prepared to anticipate and respond to possible environmental and human health hazards associated with hydraulic fracturing fluids. We explore hydraulic fracturing exemptions from federal regulations, as well as current and future efforts to mandate chemical disclosure at the federal and state level.

  7. SOIL QUALITY ASSESSMENT BASED ON CHEMICAL, ENZYMATIC AND BACTERIOLOGICAL ANALYSIS

    Directory of Open Access Journals (Sweden)

    Sofia-Paulina BALAURE

    2012-01-01

    Full Text Available This study highlights the problem of soil pollution as the result of human activities. Soil pollutans may be either chemicals or biological in nature. microbial enzymatic activities are often proposed as indicators of environmental stress. The soil samples were submitted by chemical, microbiological and enzymatic analyses. Chemical analyses were been made for determinating the heavy metals. Heavy metals from the forest soil were represented by Cu, Zn, Mn, Ni, Pb, Cd and Cr. To evaluate the concentration in heavy metals from the filtrate, we used a acetylene-nitrous oxide flame atomic absorption spectrophotometry. Potential dehydrogenase activity, the only indicator of the possible sources of pollution, excluded the presence of either chemical or biological pollution. The number of bacteria involved in the biogeochemical cycle of nitrogen in the analyzed soil indicated a high efficiency regarding the mineralization of the organic residues of plant and animal origin.

  8. China Rubber Chemicals Production and Market Situation Analysis

    Institute of Scientific and Technical Information of China (English)

    Liang Cheng

    2011-01-01

    Because the stimulus driven impact of the rapid growth of tire and other rubber products' output,in recent years,the production and marketing of domestic rubber chemicals appear to increase,and the specific production and marketing conditions are as follows: 1.Rapid Growth of Chemicals Output From 2009 to 2010,in China an upsurge of expanding or building new rubber chemicals equipment was raised.These equipment were planned to be put into production in 2010 with newly increased production capacity of about 120,000 tons,among which there were 40,000 tons antioxidant 4020,50,000tons accelerator M,and about 40,000 tons other Chemicals.In 2010,the total output was 701,000 tons,with year-on-year growth of 17.8% or so.In 2010,the total sales volume of domestic rubber chemicals were 13 billion yuan,and the export volume was about 180,000 tons,basically the same with that in 2009.See the statistics of domestic rubber chemicals output from 2009 to 2010 in Table 1.

  9. Ultrastructural Analysis of Urinary Stones by Microfocus Computed Tomography and Comparison with Chemical Analysis

    Directory of Open Access Journals (Sweden)

    Tolga Karakan

    2016-06-01

    Full Text Available Objective: To investigate the ultra-structure of urinary system stones using micro-focus computed tomography (MCT, which makes non-destructive analysis and to compare with wet chemical analysis. Methods: This study was carried out at the Ankara Train­ing and Research hospital. Renal stones, removed from 30 patients during percutaneous nephrolithotomy (PNL surgery, were included in the study. The stones were blindly evaluated by the specialists with MCT and chemi­cal analysis. Results: The comparison of the stone components be­tween chemical analysis and MCT, showed that the rate of consistence was very low (p0.05. It was also seen that there was no significant relation between its 3D structure being heterogeneous or homogenous. Conclusion: The stone analysis with MCT is a time con­suming and costly method. This method is useful to un­derstand the mechanisms of stone formation and an im­portant guide to develop the future treatment modalities.

  10. X-ray texture analysis of paper coating pigments and the correlation with chemical composition analysis

    Science.gov (United States)

    Roine, J.; Tenho, M.; Murtomaa, M.; Lehto, V.-P.; Kansanaho, R.

    2007-10-01

    The present research experiments the applicability of x-ray texture analysis in investigating the properties of paper coatings. The preferred orientations of kaolin, talc, ground calcium carbonate, and precipitated calcium carbonate particles used in four different paper coatings were determined qualitatively based on the measured crystal orientation data. The extent of the orientation, namely, the degree of the texture of each pigment, was characterized quantitatively using a single parameter. As a result, the effect of paper calendering is clearly seen as an increase on the degree of texture of the coating pigments. The effect of calendering on the preferred orientation of kaolin was also evident in an independent energy dispersive spectrometer analysis on micrometer scale and an electron spectroscopy for chemical analysis on nanometer scale. Thus, the present work proves x-ray texture analysis to be a potential research tool for characterizing the properties of paper coating layers.

  11. Differential association with cellular substructures of pseudorabies virus DNA during early and late phases of replication

    Energy Technology Data Exchange (ETDEWEB)

    Ben-Porat, T.; Veach, R.A.; Blankenship, M.L.; Kaplan, A.S.

    1984-12-01

    Pseudorabies virus DNA synthesis can be divided into two phases, early and late, which can be distinguished from each other on the basis of the structures of the replicating DNA. The two types of replicating virus DNA can also be distinguished from each other on the basis of the cellular substructures with which each is associated. Analysis by electron microscopic autoradiography showed that during the first round of replication, nascent virus DNA was found in the vicinity of the nuclear membrane; during later rounds of replication the nascent virus DNA was located centrally within the nucleus. The degree of association of virus DNA synthesized at early and late phases with the nuclear matrix fractions also differed; a larger proportion of late than of early nascent virus DNA was associated with this fraction. While nascent cellular DNA only was associated in significant amounts with the nuclear matrix fraction, a large part (up to 40%) of all the virus DNA remained associated with this fraction. However, no retention of specific virus proteins in this fraction was observed. Except for two virus proteins, which were preferentially extracted from the nuclear matrix, approximately 20% of all virus proteins remained in the nuclear matrix fraction. The large proportion of virus DNA associated with the nuclear fraction indicated that virus DNA may be intimately associated with some proteins.

  12. Boosting the charged Higgs search prospects using jet substructure at the LHC

    CERN Document Server

    Li, Jinmian; Sharma, Pankaj; Williams, Anthony G

    2016-01-01

    Charged Higgs bosons are predicted in variety of theoretically well-motivated new physics models with extended Higgs sectors. In this study, we focus on a type-II two Higgs doublet model (2HDM-II) and consider a heavy charged Higgs with its mass ranging from 500 GeV to 1 TeV as dictated by the $b\\to s\\gamma$ constraints which render $M_{H^\\pm}>480$ GeV. We study the dominant production mode $H^\\pm t$ associated production with $H^\\pm \\to W^\\pm A$ being the dominant decay channel when the pseudoscalar $A$ is considerably lighter. For such a heavy charged Higgs, both the decay products $W^\\pm$ and $A$ are relatively boosted. In such a scenario, we apply the jet substructure analysis of tagging the fat pseudoscalar and $W$ jets in order to eliminate the standard model background efficiently. We perform a detailed detector simulation for the signal and background processes at the 14 TeV LHC. We introduce various kinematical cuts to determine the signal significance for a number of benchmark points with charged Hi...

  13. Jet Substructure Classification in High-Energy Physics with Deep Neural Networks

    CERN Document Server

    Baldi, Pierre; Eng, Clara; Sadowski, Peter; Whiteson, Daniel

    2016-01-01

    At the extreme energies of the Large Hadron Collider, massive particles can be produced at such high velocities that their hadronic decays are collimated and the resulting jets overlap. Deducing whether the substructure of an observed jet is due to a low-mass single particle or due to multiple decay objects of a massive particle is an important problem in the analysis of collider data. Traditional approaches have relied on expert features designed to detect energy deposition patterns in the calorimeter, but the complexity of the data make this task an excellent candidate for the application of machine learning tools. The data collected by the detector can be treated as a two-dimensional image, lending itself to the natural application of image classification techniques. In this work, we apply deep neural networks with a mixture of locally-connected and fully-connected nodes. Our experiments demonstrate that without the aid of expert features, such networks match or modestly outperform the current state-of-the...

  14. Jet substructure classification in high-energy physics with deep neural networks

    Science.gov (United States)

    Baldi, Pierre; Bauer, Kevin; Eng, Clara; Sadowski, Peter; Whiteson, Daniel

    2016-05-01

    At the extreme energies of the Large Hadron Collider, massive particles can be produced at such high velocities that their hadronic decays are collimated and the resulting jets overlap. Deducing whether the substructure of an observed jet is due to a low-mass single particle or due to multiple decay objects of a massive particle is an important problem in the analysis of collider data. Traditional approaches have relied on expert features designed to detect energy deposition patterns in the calorimeter, but the complexity of the data make this task an excellent candidate for the application of machine learning tools. The data collected by the detector can be treated as a two-dimensional image, lending itself to the natural application of image classification techniques. In this work, we apply deep neural networks with a mixture of locally connected and fully connected nodes. Our experiments demonstrate that without the aid of expert features, such networks match or modestly outperform the current state-of-the-art approach for discriminating between jets from single hadronic particles and overlapping jets from pairs of collimated hadronic particles, and that such performance gains persist in the presence of pileup interactions.

  15. International Research Project on the Effects of Chemical Ageing of Polymers on Performance Properties: Chemical and Thermal Analysis

    Science.gov (United States)

    Bulluck, J. W.; Rushing, R. A.

    1996-01-01

    Work during the past six months has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) pipes. Among the areas investigated were the crystallinity changes associated with both the Coflon and Tefzel after various simulated environmental exposures using X-ray diffraction analysis. We have found that significant changes in polymer crystallinity levels occur as a function of the exposures. These crystallinity changes may have important consequences on the fracture, fatigue, tensile, and chemical resistance of the materials. We have also noted small changes in the molecular weight distribution. Again these changes may result in variations in the mechanical and chemical properties in the material. We conducted numerous analytical studies with methods including X-ray Diffraction, Gel Permeation Chromatography, Fourier Transform Infrared Spectroscopy, Ultra- Violet Scanning Analysis, GC/Mass Spectrometry, Differential Scanning Calorimetry and Thermomechanical Analysis. In the ultra-violet analysis we noted the presence of an absorption band indicative of triene formation. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. We also cast films at SWT and subjected these films to a refluxing methanol 1% ethylene diamine solution. An updated literature search was conducted using Dialog and DROLLS to identify any new papers that may have been published in the open literature since the start of this project. The updated literature search and abstracts are contained in the Appendix section of this report.

  16. Analysis of forward and inverse problems in chemical dynamics and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rabitz, H. [Princeton Univ., NJ (United States)

    1993-12-01

    The overall scope of this research concerns the development and application of forward and inverse analysis tools for problems in chemical dynamics and chemical kinetics. The chemical dynamics work is specifically associated with relating features in potential surfaces and resultant dynamical behavior. The analogous inverse research aims to provide stable algorithms for extracting potential surfaces from laboratory data. In the case of chemical kinetics, the focus is on the development of systematic means to reduce the complexity of chemical kinetic models. Recent progress in these directions is summarized below.

  17. Modular verification of chemical reaction network encodings via serializability analysis.

    Science.gov (United States)

    Lakin, Matthew R; Stefanovic, Darko; Phillips, Andrew

    2016-06-13

    Chemical reaction networks are a powerful means of specifying the intended behaviour of synthetic biochemical systems. A high-level formal specification, expressed as a chemical reaction network, may be compiled into a lower-level encoding, which can be directly implemented in wet chemistry and may itself be expressed as a chemical reaction network. Here we present conditions under which a lower-level encoding correctly emulates the sequential dynamics of a high-level chemical reaction network. We require that encodings are transactional, such that their execution is divided by a "commit reaction" that irreversibly separates the reactant-consuming phase of the encoding from the product-generating phase. We also impose restrictions on the sharing of species between reaction encodings, based on a notion of "extra tolerance", which defines species that may be shared between encodings without enabling unwanted reactions. Our notion of correctness is serializability of interleaved reaction encodings, and if all reaction encodings satisfy our correctness properties then we can infer that the global dynamics of the system are correct. This allows us to infer correctness of any system constructed using verified encodings. As an example, we show how this approach may be used to verify two- and four-domain DNA strand displacement encodings of chemical reaction networks, and we generalize our result to the limit where the populations of helper species are unlimited.

  18. Evaluating Chemical Persistence in a Multimedia Environment: ACART Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, D.H.; McKone, T.E.; Kastenberg, W.E.

    1999-02-01

    For the thousands of chemicals continuously released into the environment, it is desirable to make prospective assessments of those likely to be persistent. Persistent chemicals are difficult to remove if adverse health or ecological effects are later discovered. A tiered approach using a classification scheme and a multimedia model for determining persistence is presented. Using specific criteria for persistence, a classification tree is developed to classify a chemical as ''persistent'' or ''non-persistent'' based on the chemical properties. In this approach, the classification is derived from the results of a standardized unit world multimedia model. Thus, the classifications are more robust for multimedia pollutants than classifications using a single medium half-life. The method can be readily implemented and provides insight without requiring extensive and often unavailable data. This method can be used to classify chemicals when only a few properties are known and be used to direct further data collection. Case studies are presented to demonstrate the advantages of the approach.

  19. Formulation of an experimental substructure model using a Craig-Bampton based transmission simulator

    Science.gov (United States)

    Kammer, Daniel C.; Allen, Mathew S.; Mayes, Randy L.

    2015-12-01

    Experimental-analytical substructuring is attractive when there is motivation to replace one or more system subcomponents with an experimental model. This experimentally derived substructure can then be coupled to finite element models of the rest of the structure to predict the system response. The transmission simulator method couples a fixture to the component of interest during a vibration test in order to improve the experimental model for the component. The transmission simulator is then subtracted from the tested system to produce the experimental component. The method reduces ill-conditioning by imposing a least squares fit of constraints between substructure modal coordinates to connect substructures, instead of directly connecting physical interface degrees of freedom. This paper presents an alternative means of deriving the experimental substructure model, in which a Craig-Bampton representation of the transmission simulator is created and subtracted from the experimental measurements. The corresponding modal basis of the transmission simulator is described by the fixed-interface modes, rather than free modes that were used in the original approach. These modes do a better job of representing the shape of the transmission simulator as it responds within the experimental system, leading to more accurate results using fewer modes. The new approach is demonstrated using a simple finite element model based example with a redundant interface.

  20. Strong population substructure is correlated with morphology and ecology in a migratory bat.

    Science.gov (United States)

    Miller-Butterworth, Cassandra M; Jacobs, David S; Harley, Eric H

    2003-07-10

    Examining patterns of inter-population genetic diversity can provide valuable information about both historical and current evolutionary processes affecting a species. Population genetic studies of flying and migratory species such as bats and birds have traditionally shown minimal population substructure, characterized by high levels of gene flow between populations. In general, strongly substructured mammalian populations either are separated by non-traversable barriers or belong to terrestrial species with low dispersal abilities. Species with female philopatry (the tendency to remain in or consistently return to the natal territory) might show strong substructure when examined with maternally inherited mitochondrial DNA, but this substructure generally disappears when biparentally inherited markers are used, owing to male-mediated gene flow. Male-biased dispersal is considered typical for mammals, and philopatry in both sexes is rare. Here we show strong population substructure in a migratory bat species, and philopatry in both sexes, as indicated by concordance of nuclear and mtDNA findings. Furthermore, the genetic structure correlates with local biomes and differentiation in wing morphology. There is therefore a close correlation of genetic and morphological differentiation in sympatric subspecific populations of this mammalian species.

  1. An algebraic sub-structuring method for large-scale eigenvaluecalculation

    Energy Technology Data Exchange (ETDEWEB)

    Yang, C.; Gao, W.; Bai, Z.; Li, X.; Lee, L.; Husbands, P.; Ng, E.

    2004-05-26

    We examine sub-structuring methods for solving large-scalegeneralized eigenvalue problems from a purely algebraic point of view. Weuse the term "algebraic sub-structuring" to refer to the process ofapplying matrix reordering and partitioning algorithms to divide a largesparse matrix into smaller submatrices from which a subset of spectralcomponents are extracted and combined to provide approximate solutions tothe original problem. We are interested in the question of which spectralcomponentsone should extract from each sub-structure in order to producean approximate solution to the original problem with a desired level ofaccuracy. Error estimate for the approximation to the small esteigen pairis developed. The estimate leads to a simple heuristic for choosingspectral components (modes) from each sub-structure. The effectiveness ofsuch a heuristic is demonstrated with numerical examples. We show thatalgebraic sub-structuring can be effectively used to solve a generalizedeigenvalue problem arising from the simulation of an acceleratorstructure. One interesting characteristic of this application is that thestiffness matrix produced by a hierarchical vector finite elements schemecontains a null space of large dimension. We present an efficient schemeto deflate this null space in the algebraic sub-structuringprocess.

  2. Extreme Brightness Temperatures and Refractive Substructure in 3C273 with RadioAstron

    CERN Document Server

    Johnson, Michael D; Gwinn, Carl R; Gurvits, Leonid I; Narayan, Ramesh; Macquart, Jean-Pierre; Jauncey, David L; Voitsik, Peter A; Anderson, James M; Sokolovsky, Kirill V; Lisakov, Mikhail M

    2016-01-01

    Earth-space interferometry with RadioAstron provides the highest direct angular resolution ever achieved in astronomy at any wavelength. RadioAstron detections of the classic quasar 3C273 on interferometric baselines up to 171,000 km suggest brightness temperatures exceeding expected limits from the "inverse-Compton catastrophe" by two orders of magnitude. We show that at 18 cm, these estimates most probably arise from refractive substructure introduced by scattering in the interstellar medium. We use the scattering properties to estimate an intrinsic brightness temperature of 7*10^12 K, which is consistent with expected theoretical limits, but which is ~15 times lower than estimates that neglect substructure. At 6 cm, the substructure influences the measured values appreciably but gives an estimated brightness temperature that is comparable to models that do not account for the substructure. At 1.3 cm, the substructure does not affect the extremely high inferred brightness temperatures, in excess of 10^13 K....

  3. ANALYSIS OF SOLUBLE CHEMICAL TRANSFER BY RUNOFF WATER IN FIELD

    Institute of Scientific and Technical Information of China (English)

    TONG Ju-xiu; YANG Jin-zhong

    2008-01-01

    In order to determine the main factors influencing soluble chemical transfer and corresponding techniques for reducing fertilizer loss caused by runoff in irrigated fields, a physically based two-layer model was developed with incomplete mixing theory. Different forms of incomplete mixing parameters were introduced in the model, which was successfully verified with previous published experimental data. According to comparison, the chemicals loss of fertilizer is very sensitive to the runoff-related parameter while it is not sensitive to the infiltration-related parameter. The calculated results show that the chemicals in infiltration water play an important role in the early time of rainfall even with saturated soil, and it is mainly in the runoff flow in the late rainfall. Therefore, prevention of shallow subsurface drainage in the early rainfall is an effective way to reduce fertilizer loss, and the coverage on soil surface is another effective way.

  4. Powerful chemical technique. [CSIR uses new x-ray diffractometer for structural chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    The CSIR's National Chemical Research Laboratory (NCRL) is now using one of the most powerful techniques available to determine the structure of molecules. It has recently acquired a Single Crystal X-ray Diffractometer. This powerful method provides the only means of determining the structure of certain compounds. NCRL scientists often carry out structure determinations to find out the relative or absolute stereochemistry of molecules. This is important when correlating physiological activity and structure, information which is necessary for synthesizing medicines with specific characteristics.

  5. Probing deformation substructure by synchrotron X-ray diffraction and dislocation dynamics modelling.

    Science.gov (United States)

    Korsunsky, Alexander M; Hofmann, Felix; Song, Xu; Eve, Sophie; Collins, Steve P

    2010-09-01

    Materials characterization at the nano-scale is motivated by the desire to resolve the structural aspects and deformation behavior at length scales relevant to those mechanisms that define the novel and unusual properties of nano-structured materials. A range of novel techniques has recently become accessible with the help of synchrotron X-ray beams that can be focused down to spot sizes of less than a few microns on the sample. The unique combination of tunability (energy selection), parallelism and brightness of synchrotron X-ray beams allows their use for high resolution diffraction (determination of crystal structure and transformations, analysis of dislocation sub-structures, orientation and texture analysis, strain mapping); small angle X-ray scattering (analysis of nano-scale voids and defects; orientation analysis) and imaging (radiography and tomography). After a brief review of the state-of-the-art capabilities for monochromatic and white beam synchrotron diffraction, we consider the usefulness of these techniques for the task of bridging the gap between experiment and modeling. Namely, we discuss how the experiments can be configured to provide information relevant to the validation and improvement of modeling approaches, and also how the results of various simulations can be post-processed to improve the possibility of (more or less) direct comparison with experiments. Using the example of some recent experiments carried out on beamline 116 at Diamond Light Source near Oxford, we discuss how such experimental results can be interpreted in view and in conjunction with numerical deformation models, particularly those incorporating dislocation effects, e.g., finite-element based pseudo-continuum strain gradient formulations, and discrete dislocation simulations. Post-processing of FE and discrete dislocation simulations is described, illustrating the kind of information that can be extracted from comparisons between modeling and experimental data.

  6. Koopmans' Analysis of Chemical Hardness with Spectral-Like Resolution

    Science.gov (United States)

    2013-01-01

    Three approximation levels of Koopmans' theorem are explored and applied: the first referring to the inner quantum behavior of the orbitalic energies that depart from the genuine ones in Fock space when the wave-functions' Hilbert-Banach basis set is specified to solve the many-electronic spectra of spin-orbitals' eigenstates; it is the most subtle issue regarding Koopmans' theorem as it brings many critics and refutation in the last decades, yet it is shown here as an irrefutable “observational” effect through computation, specific to any in silico spectra of an eigenproblem; the second level assumes the “frozen spin-orbitals” approximation during the extracting or adding of electrons to the frontier of the chemical system through the ionization and affinity processes, respectively; this approximation is nevertheless workable for great deal of chemical compounds, especially organic systems, and is justified for chemical reactivity and aromaticity hierarchies in an homologue series; the third and the most severe approximation regards the extension of the second one to superior orders of ionization and affinities, here studied at the level of chemical hardness compact-finite expressions up to spectral-like resolution for a paradigmatic set of aromatic carbohydrates. PMID:23970834

  7. Koopmans' Analysis of Chemical Hardness with Spectral-Like Resolution

    Directory of Open Access Journals (Sweden)

    Mihai V. Putz

    2013-01-01

    Full Text Available Three approximation levels of Koopmans' theorem are explored and applied: the first referring to the inner quantum behavior of the orbitalic energies that depart from the genuine ones in Fock space when the wave-functions' Hilbert-Banach basis set is specified to solve the many-electronic spectra of spin-orbitals' eigenstates; it is the most subtle issue regarding Koopmans' theorem as it brings many critics and refutation in the last decades, yet it is shown here as an irrefutable “observational” effect through computation, specific to any in silico spectra of an eigenproblem; the second level assumes the “frozen spin-orbitals” approximation during the extracting or adding of electrons to the frontier of the chemical system through the ionization and affinity processes, respectively; this approximation is nevertheless workable for great deal of chemical compounds, especially organic systems, and is justified for chemical reactivity and aromaticity hierarchies in an homologue series; the third and the most severe approximation regards the extension of the second one to superior orders of ionization and affinities, here studied at the level of chemical hardness compact-finite expressions up to spectral-like resolution for a paradigmatic set of aromatic carbohydrates.

  8. Portfolio Assessment on Chemical Reactor Analysis and Process Design Courses

    Science.gov (United States)

    Alha, Katariina

    2004-01-01

    Assessment determines what students regard as important: if a teacher wants to change students' learning, he/she should change the methods of assessment. This article describes the use of portfolio assessment on five courses dealing with chemical reactor and process design during the years 1999-2001. Although the use of portfolio was a new…

  9. Toxic hazard and chemical analysis of leachates from furfurylated wood

    NARCIS (Netherlands)

    Pilgard, A.; Treu, A.; Zeeland, van A.N.T.; Gosselink, R.J.A.; Westin, M.

    2010-01-01

    The furfurylation process is an extensively investigated wood modification process. Furfuryl alcohol molecules penetrate into the wood cell wall and polymerize in situ. This results in a permanent swelling of the wood cell walls. It is unclear whether or not chemical bonds exist between the furfuryl

  10. Probabilistic thermo-chemical analysis of a pultruded composite rod

    DEFF Research Database (Denmark)

    Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

    2012-01-01

    In the present study the deterministic thermo-chemical pultrusion simulation of a composite rod taken from the literature [7] is used as a validation case. The predicted centerline temperature and cure degree profiles of the rod match well with those in the literature [7]. Following the validation...

  11. Probabilistic thermo-chemical analysis of a pultruded composite rod

    NARCIS (Netherlands)

    Baran, Ismet; Tutum, Cem C.; Hattel, Jesper H.

    2012-01-01

    In the present study the deterministic thermo-chemical pultrusion simulation of a composite rod taken from the literature [7] is used as a validation case. The predicted centerline temperature and cure degree profiles of the rod match well with those in the literature [7]. Following the validation c

  12. Reconstruction of small-scale galaxy cluster substructure with lensing flexion

    Science.gov (United States)

    Cain, Benjamin; Bradač, Maruša; Levinson, Rebecca

    2016-09-01

    We present reconstructions of galaxy-cluster-scale mass distributions from simulated gravitational lensing data sets including strong lensing, weak lensing shear, and measurements of quadratic image distortions - flexion. The lensing data is constructed to make a direct comparison between mass reconstructions with and without flexion. We show that in the absence of flexion measurements, significant galaxy-group scale substructure can remain undetected in the reconstructed mass profiles, and that the resulting profiles underestimate the aperture mass in the substructure regions by ˜25 - 40%. When flexion is included, subhaloes down to a mass of ˜3 × 1012 M⊙ can be detected at an angular resolution smaller than 10″. Aperture masses from profiles reconstructed with flexion match the input distribution values to within an error of ˜13%, including both statistical error and scatter. This demonstrates the important constraint that flexion measurements place on substructure in galaxy clusters and its utility for producing high-fidelity mass reconstructions.

  13. Exploring triad-rich substructures by graph-theoretic characterizations in complex networks

    CERN Document Server

    Jia, Songwei; Gao, Yong; Nastos, James; Wen, Xiao; Zhang, Xindong; Wang, Haiyang

    2016-01-01

    One of the most important problems in complex networks is how to detect metadata groups accurately. The main challenge lies in the fact that traditional structural communities do not always capture the intrinsic features of metadata groups. Motivated by the observation that metadata groups in PPI networks tend to consist of an abundance of interacting triad motifs, we define a 2-club substructure with diameter 2 which possessing triad-rich property to describe a metadata group. Based on the triad-rich substructure, we design a DIVision Algorithm using our proposed edge Niche Centrality DIVANC to detect metadata groups effectively in complex networks. We also extend DIVANC to detect overlapping metadata groups by proposing a simple 2-hop overlapping strategy. To verify the effectiveness of triad-rich substructures, we compare DIVANC with existing algorithms on PPI networks, LFR synthetic networks and football networks. The experimental results show that DIVANC outperforms most other algorithms significantly an...

  14. Theory and Simulations of Refractive Substructure in Resolved Scatter-Broadened Images

    CERN Document Server

    Johnson, Michael D

    2015-01-01

    At radio wavelengths, scattering in the interstellar medium distorts the appearance of astronomical sources. Averaged over a scattering ensemble, the result is a blurred image of the source. However, Narayan & Goodman (1989) and Goodman & Narayan (1989) showed that for an incomplete average, scattering introduces refractive substructure in the image of a point source that is both persistent and wideband. We show that this substructure is not smoothed by an extended source and that the scattering can therefore introduce spurious compact features into images that would be resolved in the absence of scattering. In addition, we derive efficient strategies to numerically compute realistic scattered images, and we present characteristic examples from simulations. Our results show that refractive substructure is an important consideration for ongoing missions at the highest angular resolutions, and we discuss specific implications for RadioAstron and the Event Horizon Telescope.

  15. Exploring triad-rich substructures by graph-theoretic characterizations in complex networks

    Science.gov (United States)

    Jia, Songwei; Gao, Lin; Gao, Yong; Nastos, James; Wen, Xiao; Zhang, Xindong; Wang, Haiyang

    2017-02-01

    One of the most important problems in complex networks is how to detect communities accurately. The main challenge lies in the fact that traditional definition about communities does not always capture the intrinsic features of communities. Motivated by the observation that communities in PPI networks tend to consist of an abundance of interacting triad motifs, we define a 2-club substructure with diameter 2 possessing triad-rich property to describe a community. Based on the triad-rich substructure, we design a DIVision Algorithm using our proposed edge Niche Centrality DIVANC to detect communities effectively in complex networks. We also extend DIVANC to detect overlapping communities by proposing a simple 2-hop overlapping strategy. To verify the effectiveness of triad-rich substructures, we compare DIVANC with existing algorithms on PPI networks, LFR synthetic networks and football networks. The experimental results show that DIVANC outperforms most other algorithms significantly and, in particular, can detect sparse communities.

  16. Laser-induced fluorescence: quantitative analysis of atherosclerotic plaque chemical content in human aorta

    Science.gov (United States)

    Dai, Erbin; Wishart, David; Khoury, Samir; Kay, Cyril M.; Jugdutt, Bodh I.; Tulip, John; Lucas, Alexandra

    1996-05-01

    We have been studying laser-induced fluorescence as a technique for identification of selected changes in the chemical composition of atherosclerotic plaque. Formulae for quantification of chemical changes have been developed based upon analysis of fluorescence emission spectra using multiple regression analysis and the principal of least squares. The intima of human aortic necropsy specimens was injected with chemical compounds present in atherosclerotic plaque. Spectra recorded after injection of selected chemical components found in plaque (collagen I, III, IV, elastin and cholesterol) at varying concentrations (0.01 - 1.0 mg) were compared with saline injection. A single fiber system was used for both fluorescence excitation (XeCl excimer laser, 308 nm, 1.5 - 2.0 mJ/ pulse, 5 Hz) and fluorescence emission detection. Average spectra for each chemical have been developed and the wavelengths of peak emission intensity identified. Curve fitting analysis as well as multiple regression analysis were used to develop formulae for assessment of chemical content. Distinctive identifying average curves were established for each chemical. Excellent correlations were identified for collagen I, III, and IV, elastin, and cholesterol (R2 equals 0.92 6- 0.997). Conclusions: (1) Fluorescence spectra of human aortas were significantly altered by collagen I, collagen III, elastin and cholesterol. (2) Fluorescence spectroscopic analysis may allow quantitative assessment of atherosclerotic plaque chemical content in situ.

  17. High resolution Physio-chemical Tissue Analysis: Towards Non-invasive In Vivo Biopsy

    Science.gov (United States)

    Xu, Guan; Meng, Zhuo-Xian; Lin, Jian-Die; Deng, Cheri X.; Carson, Paul L.; Fowlkes, J. Brian; Tao, Chao; Liu, Xiaojun; Wang, Xueding

    2016-02-01

    Conventional gold standard histopathologic diagnosis requires information of both high resolution structural and chemical changes in tissue. Providing optical information at ultrasonic resolution, photoacoustic (PA) technique could provide highly sensitive and highly accurate tissue characterization noninvasively in the authentic in vivo environment, offering a replacement for histopathology. A two-dimensional (2D) physio-chemical spectrogram (PCS) combining micrometer to centimeter morphology and chemical composition simultaneously can be generated for each biological sample with PA measurements at multiple optical wavelengths. This spectrogram presents a unique 2D “physio-chemical signature” for any specific type of tissue. Comprehensive analysis of PCS, termed PA physio-chemical analysis (PAPCA), can lead to very rich diagnostic information, including the contents of all relevant molecular and chemical components along with their corresponding histological microfeatures, comparable to those accessible by conventional histology. PAPCA could contribute to the diagnosis of many diseases involving diffusive patterns such as fatty liver.

  18. CHEMICAL ANALYSIS OF DENSE-GAS EXTRACTS FROM LIME FLOWERS

    Directory of Open Access Journals (Sweden)

    Demyanenko DV

    2015-04-01

    Full Text Available The purpose of this work was to make qualitative and quantitative analysis of phenolic biologically active substances (BAS in the extracts produced from lime flowers with condensed gases, using method of high-performance liquid chromatography (HPLC. Materials and methods: materials for this study were the extracts obtained by consequent processing of the herbal drug and marcs thereof with various condensed gases: difluorochloromethane (Freon R22, difluoromethane (Freon R32, azeotropic mixture of difluoromethane with pentafluoroethane (Freon 410A and freon-ammonium mixture. Extracts obtained with the latter were subjected to further fractionation by liquidliquid separation into hexane, chloroform, ethyl acetate and aqueous-alcohol phases. Besides, the supercritical СО2 extract, obtained from the herbal drug under rather strong conditions (at temperature 60°С and pressure 400 bar, was studied in our previous research. Presence of phenolic BAS and their quantity in the researched samples were determined by method of HPLC with UVspectrometric detection. Results and discussion: It has been found that Freon R22 extracted trace amounts of rutin from lime flowers – its content was only 0.08% of the total extract weight. On the other hand, Freons R32 and R410А showed good selectivity to moderately polar BAS of lime flowers (derivatives of flavonoids and hydroxycinnamic acids: in particular, the extract obtained with freon R32 contained about 1.3% of the total phenolic substances, and it was the only one of the investigated condensed gases used by us which took the basic flavonoid of lime flowers tiliroside – its content was 0.42% of extract weight. Also Freons R32 and R410А were able to withdraw another compound dominating among phenolic substances in the yielded extracts. Its quantity was rather noticeable – up to 0.87% of extract weight. This substance was not identified by existing database, but its UV-spectrum was similar to those of

  19. Performance of Jet Substructure Techniques and Boosted Object Identification in ATLAS

    CERN Document Server

    Lacey, J; The ATLAS collaboration

    2014-01-01

    ATLAS has implemented and commissioned many new jet substructure techniques to aid in the identification and interpretation of hadronic final states originating from Lorentz-boosted heavy particles produced at the LHC. These techniques include quantum jets, jet charge, jet shapes, quark/gluon, boosted boson and top quark tagging, along with grooming methods such as pruning, trimming, and filtering. These techniques have been validated using the large 2012 ATLAS dataset. Presented here is a summary of the state of the art jet substructure and tagging techniques developed in ATLAS, their performance and recent results.

  20. VARIATION OF SUBSTRUCTURES OF PEARLITIC HEAT RESISTANT STEEL AFTER HIGH TEMPERATURE AGING

    Institute of Scientific and Technical Information of China (English)

    R.C.Yang; K.Chen; H.X.Feng; H.Wang

    2004-01-01

    The observations of dislocations, substructures and other microstructural details were conducted mainly by means of transmission electron microscope (TEM) and scanning electron microscope (SEM) for 12Cr1Mo V pearlitic heat-resistant steel. It is shown that during the high temperature long-term aging, the disordered and jumbled phasetransformed dislocations caused by normalized cooling are recovered and rearranged into cell substructures, and then the dislocation density is reduced gradually. Finally a low density linear dislocation configuration and a stabler dislocation network are formed and ferritic grains grow considerably.

  1. Jet Substructure Templates: Data-driven QCD Backgrounds for Fat Jet Searches

    CERN Document Server

    Cohen, Timothy; Lisanti, Mariangela; Lou, Hou Keong; Wacker, Jay G

    2014-01-01

    QCD is often the dominant background to new physics searches for which jet substructure provides a useful handle. Due to the challenges associated with modeling this background, data-driven approaches are necessary. This paper presents a novel method for determining QCD predictions using templates -- probability distribution functions for jet substructure properties as a function of kinematic inputs. Templates can be extracted from a control region and then used to compute background distributions in the signal region. Using Monte Carlo, we illustrate the procedure with two case studies and show that the template approach effectively models the relevant QCD background. This work strongly motivates the application of these techniques to LHC data.

  2. Jet substructure templates: data-driven QCD backgrounds for fat jet searches

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, Timothy [Theory Group, SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Jankowiak, Martin [Institut für Theoretische Physik, Universität Heidelberg, 69120 Heidelberg (Germany); Lisanti, Mariangela; Lou, Hou Keong [Physics Department, Princeton University, Princeton, NJ 08544 (United States); Wacker, Jay G. [Theory Group, SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States)

    2014-05-05

    QCD is often the dominant background to new physics searches for which jet substructure provides a useful handle. Due to the challenges associated with modeling this background, data-driven approaches are necessary. This paper presents a novel method for determining QCD predictions using templates — probability distribution functions for jet substructure properties as a function of kinematic inputs. Templates can be extracted from a control region and then used to compute background distributions in the signal region. Using Monte Carlo, we illustrate the procedure with two case studies and show that the template approach effectively models the relevant QCD background. This work strongly motivates the application of these techniques to LHC data.

  3. OPTIMAL SUBSTRUCTURE OF SET-VALUED SOLUTIONS OF NORMAL-FORM GAMES AND COORDINATION

    Institute of Scientific and Technical Information of China (English)

    Norimasa KOBAYASHI; Kyoichi KIJIMA

    2009-01-01

    A number of solution concepts of normal-form games have been proposed in the literature on subspaces of action profiles that have Nash type stability. While the literature mainly focuses on the minimal of such stable subspaces, this paper argues that non-minimal stable subspaces represent well the multi-agent situations to which neither Nash equilibrium nor rationalizability may be applied with satisfaction. As a theoretical support, the authors prove the optimal substructure of stable subspaces regarding the restriction of a game. It is further argued that the optimal substructure characterizes hierarchical diversity of coordination and interim phases in learning.

  4. New crosslinkers for electrospun chitosan fibre mats. I. Chemical analysis

    OpenAIRE

    Austero, Marjorie S.; Donius, Amalie E.; Wegst, Ulrike G.K.; Schauer, Caroline L.

    2012-01-01

    Chitosan (CS), the deacetylated form of chitin, the second most abundant, natural polysaccharide, is attractive for applications in the biomedical field because of its biocompatibility and resorption rates, which are higher than chitin. Crosslinking improves chemical and mechanical stability of CS. Here, we report the successful utilization of a new set of crosslinkers for electrospun CS. Genipin, hexamethylene-1,6-diaminocarboxysulphonate (HDACS) and epichlorohydrin (ECH) have not been previ...

  5. Relational database driven two-dimensional chemical graph analysis.

    Science.gov (United States)

    Wilkens, Steven J

    2006-09-01

    This manuscript presents a method for pre-computing and storing molecular features or ''scaffolds'' that can be used for rapid clustering of diverse compound sets within the context of a relational database based on hierarchies of scaffold structures. In addition, a method for rapid structure-based profiling of a large compound collection is demonstrated. Pre-organizing compounds by shared structural features in this way facilitates the merger of chemical features and biological data within a relational database.

  6. Tattoo inks: legislation, pigments, metals and chemical analysis.

    Science.gov (United States)

    Prior, Gerald

    2015-01-01

    Legal limits for chemical substances require that they are linked to clearly defined analytical methods. Present limits for certain chemicals in tattoo and permanent make-up inks do not mention analytical methods for the detection of metals, polycyclic aromatic hydrocarbons or forbidden colourants. There is, therefore, no established method for the determination of the quantities of these chemicals in tattoo and permanent make-up inks. Failing to provide an appropriate method may lead to unqualified and questionable results which often cause legal disputes that are ultimately resolved by a judge with regard to the method that should have been applied. Analytical methods are tuned to exactly what is to be found and what causes the health problems. They are extremely specific. Irrespective of which is the correct method for detecting metals in tattoo inks, the focus should be on the actual amounts of ink in the skin. CTL® has conducted experiments to determine these amounts and these experiments are crucial for toxicological evaluations and for setting legal limits. When setting legal limits, it is essential to also incorporate factors such as daily consumption, total uptake and frequency of use. A tattoo lasts for several decades; therefore, the limits that have been established for heavy metals used in drinking water or soap are not relevant. Drinking water is consumed on a daily basis and soap is used several times per week, while tattooing only occurs once.

  7. Chemical Analysis of Emu Feather Fiber Reinforced Epoxy Composites

    Directory of Open Access Journals (Sweden)

    V.Chandra sekhar

    2015-07-01

    Full Text Available A composite is usually made up of at least two materials out of which one is binding material called as matrix and other is a reinforcement material known as fiber. For the past ten years research is going on to explore possible composites with natural fiber like plant fibers and animal fibers. The important characteristics of composites are their strength, hardness light in weight. It is also necessary to study about the resistance of the composites for deferent chemicals. In the present work, composites prepared with epoxy (Araldite LY-556 as resin and „emu‟ bird feathers as fiber have been tested for chemical resistance. The composites were prepared by varying fiber loading (P of „emu‟ feathers ranging from 1 to 5 and length (L of feather fibers from 1 to 5 cm. The composites thus prepared were subjected to various chemicals (Acids, Alkalis, solvents etc.. Observations were plotted and studied. The results reveal that there will be weight gain for the composite samples after three days, when treated with Hydrochloric acid, Sodium carbonate, Acetic acid, Sodium hydroxide, Nitric acid and Ammonium hydroxide. Weight loss was observed for all the samples including pure epoxy when treated with Benzene, Carbon tetra chloride and Toluene.

  8. Miniaturised wireless smart tag for optical chemical analysis applications.

    Science.gov (United States)

    Steinberg, Matthew D; Kassal, Petar; Tkalčec, Biserka; Murković Steinberg, Ivana

    2014-01-01

    A novel miniaturised photometer has been developed as an ultra-portable and mobile analytical chemical instrument. The low-cost photometer presents a paradigm shift in mobile chemical sensor instrumentation because it is built around a contactless smart card format. The photometer tag is based on the radio-frequency identification (RFID) smart card system, which provides short-range wireless data and power transfer between the photometer and a proximal reader, and which allows the reader to also energise the photometer by near field electromagnetic induction. RFID is set to become a key enabling technology of the Internet-of-Things (IoT), hence devices such as the photometer described here will enable numerous mobile, wearable and vanguard chemical sensing applications in the emerging connected world. In the work presented here, we demonstrate the characterisation of a low-power RFID wireless sensor tag with an LED/photodiode-based photometric input. The performance of the wireless photometer has been tested through two different model analytical applications. The first is photometry in solution, where colour intensity as a function of dye concentration was measured. The second is an ion-selective optode system in which potassium ion concentrations were determined by using previously well characterised bulk optode membranes. The analytical performance of the wireless photometer smart tag is clearly demonstrated by these optical absorption-based analytical experiments, with excellent data agreement to a reference laboratory instrument.

  9. Sample preparation for combined chemical analysis and bioassay application in water quality assessment

    NARCIS (Netherlands)

    Kolkman, A.; Schriks, M.; Brand, W; Bäuerlein, P.S.; van der Kooi, M.M.E.; van Doorn, R.H.; Emke, E.; Reus, A.; van der Linden, S.; de Voogt, P.; Heringa, M.B.

    2013-01-01

    The combination of in vitro bioassays and chemical screening can provide a powerful toolbox to determine biologically relevant compounds in water extracts. In this study, a sample preparation method is evaluated for the suitability for both chemical analysis and in vitro bioassays. A set of 39 chemi

  10. Analysis of solids remaining following chemical cleaning in tank 6F

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, Michael R. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Fondeur, Fernando F. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Missimer, David M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Summer, Michael E. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Fink, Samuel D. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2010-02-05

    Following chemical cleaning, a solid sample was collected and submitted to Savannah River National Laboratory (SRNL) for analysis. SRNL analyzed this sample by X-ray Diffraction (XRD) and scanning electron microscopy (SEM) to determine the composition of the solids remaining in Tank 6F and to assess the effectiveness of the chemical cleaning process.

  11. Chemical analysis of particles and semiconductor microstructures by synchrotron radiation soft x-rays photoemission spectromicroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gozzo, F.; Triplett, B.; Fujimoto, H. [Intel Corp., Santa Clara, CA (United States). Dept. of Components Research] [and others

    1998-12-31

    Chemical analysis on a microscopic scale was performed on a TiN particle sample on silicon and on two patterned samples using a synchrotron source scanning photoemission microscope. For all the experiments, they exploit the ability, developed in the experimental system, to reach specific locations on the wafer and analyze the local chemical state.

  12. Mass spectrometry analysis of polychlorinated biphenyls: chemical ionization and selected ion chemical ionization using methane as a reagent gas

    Directory of Open Access Journals (Sweden)

    RAYMOND E. MARCH

    2000-06-01

    Full Text Available In the present paper a quadrupole ion trap mass spectrometer, coupled with a gas chromatograph, was used to compare the electron impact ionization (EI and chemical ionization (Cl technique, in terms of their selectivity in polychlorinated biphenyls (PCBs quantitative analysis. The experiments were carried out with a modified Varian SATURN III quadrupole ion-storage mass spectrometer equipped with Varian waveform generator, coupled with a gas chromatograph with DB-5 capillary column. The disadvantage of using EI in the analysis of PCBs congeners is the extensive fragmentation of the molecular ion. The main fragmentation pattern recorded in the EI mass spectra of PCBs was the loss of a chlorine atom from the molecular ion. Therefore the fragment-ion signal overlapped with the molecular-ion cluster of lower mass congener. The fragmentation reactions of PCBs are suppressed if methane is used as a reagent gas for chemical ionization, but fragment ions are also present in the spectrum as an obstruction for quantitative analysis. The most selective method for PCBs quantitative analysis appears to be Cl with mass-selected C2H5+ ions from methane, which results in a mass spectrum with a negligible amount of fragment ions.

  13. A Substructural Damage Identification Approach for Shear Structure Based on Changes in the First AR Model Coefficient Matrix

    Directory of Open Access Journals (Sweden)

    Liu Mei

    2015-01-01

    Full Text Available A substructural damage identification approach based on changes in the first AR model coefficient matrix is proposed in this paper to identify structural damage including its location and severity. Firstly, a substructure approach is adopted in the procedure to divide a complete structure into several substructures in order to significantly reduce the number of unknown parameters for each substructure so that damage identification processes can be independently conducted on each substructure. To establish a relation between changes in AR model coefficients and structural damage for each substructure, a theoretical derivation is presented. Thus the accelerations are fed into ARMAX models to determine the AR model coefficients for each substructure under undamaged and various damaged conditions, based on which changes in the first AR model coefficient matrix (CFAR is obtained and adopted as the damage indicator for the proposed substructure damage identification approach. To better assess the performance of the proposed procedure, a numerical simulation and an experimental verification of the proposed approach are then carried out and the results show that the proposed procedure can successfully locate and quantify the damage in both simulation and laboratory experiment.

  14. Quality assessment of cortex cinnamomi by HPLC chemical fingerprint, principle component analysis and cluster analysis.

    Science.gov (United States)

    Yang, Jie; Chen, Li-Hong; Zhang, Qin; Lai, Mao-Xiang; Wang, Qiang

    2007-06-01

    HPLC fingerprint analysis, principle component analysis (PCA), and cluster analysis were introduced for quality assessment of Cortex cinnamomi (CC). The fingerprint of CC was developed and validated by analyzing 30 samples of CC from different species and geographic locations. Seventeen chromatographic peaks were selected as characteristic peaks and their relative peak areas (RPA) were calculated for quantitative expression of the HPLC fingerprints. The correlation coefficients of similarity in chromatograms were higher than 0.95 for the same species while much lower than 0.6 for different species. Besides, two principal components (PCs) have been extracted by PCA. PC1 separated Cinnamomum cassia from other species, capturing 56.75% of variance while PC2 contributed for their further separation, capturing 19.08% variance. The scores of the samples showed that the samples could be clustered reasonably into different groups corresponding to different species and different regions. The scores and loading plots together revealed different chemical properties of each group clearly. The cluster analysis confirmed the results of PCA analysis. Therefore, HPLC fingerprint in combination with chemometric techniques provide a very flexible and reliable method for quality assessment of traditional Chinese medicines.

  15. Three-dimensional study of dislocation substructures in punch-stretched, AK, DQ, low-carbon steel sheets

    Energy Technology Data Exchange (ETDEWEB)

    Ledezma, M.

    1986-05-01

    Dislocation substructures developed in Aluminum Killed (AK), Drawing Quality (DQ), Low Carbon steel sheets during the Limiting Dome Height (LDH) test are investigated. Thin foils parallel to the sheet plane, longitudinal and transverse sections for different strain ratios have been observed by Transmission Electron Microscopy (TEM). Analysis of the cellular structure in three-dimensions allows the determination of the orientations of the cell wall planes inside individual ferrite grains. The observed cell wall planes for different strain ratios and grain orientations are compared with active slip planes calculated by using the Sach's model for polycrystal deformation. Cell walls are found to be roughly parallel to calculated slip planes for the range of strain ratios considered. Discrepancies observed in negative strain ratio samples are explained in terms of the validity of the Sach's model free-grain assumption.

  16. Determination of the accuracy for targeted irradiations of cellular substructures at SNAKE

    Energy Technology Data Exchange (ETDEWEB)

    Siebenwirth, C. [Department of Radiation Oncology, Klinikum rechts der Isar, Technische Universität München, Munich (Germany); Institut für Angewandte Physik und Messtechnik (LRT2), Universität der Bundeswehr München, Neubiberg (Germany); Greubel, C. [Institut für Angewandte Physik und Messtechnik (LRT2), Universität der Bundeswehr München, Neubiberg (Germany); Drexler, S.E. [Department of Radiation Oncology, Ludwig-Maximilians-Universität München, Munich (Germany); Girst, S.; Reindl, J. [Institut für Angewandte Physik und Messtechnik (LRT2), Universität der Bundeswehr München, Neubiberg (Germany); Walsh, D.W.M. [Institut für Angewandte Physik und Messtechnik (LRT2), Universität der Bundeswehr München, Neubiberg (Germany); Department of Radiation Oncology, Klinikum rechts der Isar, Technische Universität München, Munich (Germany); Dollinger, G. [Institut für Angewandte Physik und Messtechnik (LRT2), Universität der Bundeswehr München, Neubiberg (Germany); Friedl, A.A. [Department of Radiation Oncology, Ludwig-Maximilians-Universität München, Munich (Germany); and others

    2015-04-01

    In the last 10 years the ion microbeam SNAKE, installed at the Munich 14 MV tandem accelerator, has been successfully used for radiobiological experiments by utilizing pattern irradiation without targeting single cells. Now for targeted irradiation of cellular substructures a precise irradiation device was added to the live cell irradiation setup at SNAKE. It combines a sub-micrometer single ion irradiation facility with a high resolution optical fluorescence microscope. Most systematic errors can be reduced or avoided by using the same light path in the microscope for beam spot verification as well as for and target recognition. In addition online observation of the induced cellular responses is possible. The optical microscope and the beam delivering system are controlled by an in-house developed software which integrates the open-source image analysis software, CellProfiler, for semi-automatic target recognition. In this work the targeting accuracy was determined by irradiation of a cross pattern with 55 MeV carbon ions on nucleoli in U2OS and HeLa cells stably expressing a GFP-tagged repair protein MDC1. For target recognition, nuclei were stained with Draq5 and nucleoli were stained with Syto80 or Syto83. The damage response was determined by live-cell imaging of MDC1-GFP accumulation directly after irradiation. No systematic displacement and a random distribution of about 0.7 μm (SD) in x-direction and 0.8 μm (SD) in y-direction were observed. An independent analysis after immunofluorescence staining of the DNA damage marker yH2AX yielded similar results. With this performance a target with a size similar to that of nucleoli (i.e. a diameter of about 3 μm) is hit with a probability of more than 80%, which enables the investigation of the radiation response of cellular subcompartments after targeted ion irradiation in the future.

  17. Simplified Model Research on Framed Spherical Tank Seismic Substructure%支架式球形储罐子结构简化模型

    Institute of Scientific and Technical Information of China (English)

    周利剑; 孙铭阳; 王雪

    2016-01-01

    近些年,地震的发生频率呈现上升趋势,而抗震研究的重要性也日益提高。作为新兴的抗震试验方法——子结构振动台试验方法,也日趋被人们所重视。采用4种方法对支架式球形储罐进行模态分析,得到合理的简化全模型。在全模型基础上进行子结构简化模型划分求解,对比分析出从结构下两层处划分结构为最合理的子结构简化模型形式。在支架式储罐子结构研究中,把下两层支架部分作为试验子结构,将整体划分成双质点体系进行后续抗震性能试验研究。%In recent years, the frequency that the earthquakes occur shows a tendency of raising, and the importance of the seismic method is increasing gradually. As a new seismic experiment method, substructure shaking table experiment method becomes attention by people increasingly. This paper takes four methods to carry out the modal analysis of the framed spherical storage tank and get a reasonable simplified model. By deciding and solving the simplified model of the substructure on the basis of the whole model,it came to the con-clusion that most reasonable simplified model form of substructure is that dividing the structure from the two layers of the structure. In the research of the substructure about the framed spherical tank, treat the two layers of the structure as test substructure, and the whole struc-ture regard as two particle system experiments were carried out to study the seismic perfor-mance of the following.

  18. [Analysis of main chemical composition in hydrogenated rosin from Zhuzhou].

    Science.gov (United States)

    Duan, W G; Chen, X P; Wang, L L; Deng, S; Zhou, Y H; An, X N

    2001-01-01

    The acid fraction, the main part of the hydrogenated rosin produced by Zhuzhou Forest Chemicals Plant of China, was separated from neutral fraction by modified DEAE-Sephadex ion exchange chromatography and analyzed with GC-MS-DS technique by using DB-5 capillary column. Six dihydroabietic-type resin acids, four dihydropimaric/isopimaric-type resin acids and four tetrahydroabietic-type resin acids were identified. The hydrogenated rosin is composed mainly of 8-abietenoic acid, 18-abietanoic acid, 13-abietenoic acid, 8 alpha, 13 beta-abietanoic acid, 13 beta-8-abietenoic acid and 8-isopimarenoic acid etc.

  19. Analysis of Thermal Desorption System for the Chemical Treatment of Old Storages of Oil Based Mud

    OpenAIRE

    Tanweer Hussain; Abdul Rehman Memon; Javed Larik

    2013-01-01

    This paper presents an analysis for the chemical treatment of OBM (Oil Based Mud) used in the drilling process in the oil and gas industry. The analysis is based on OBM stored at ENI (Italian National Energy) gas fields at Bhit mount district Jamshoro since the last ten years that has been chemically and physically deteriorated. Characterization of various OBM samples was performed and these samples were processed in order to evaluate the best characteristics of the OBM for optimum treatment ...

  20. Environmental Impact Assessment for Socio-Economic Analysis of Chemicals

    DEFF Research Database (Denmark)

    Calow, Peter; Biddinger, G; Hennes, C;

    This report describes the requirements for, and illustrates the application of, a methodology for a socio-economic analysis (SEA) especially as it might be adopted in the framework of REACH.......This report describes the requirements for, and illustrates the application of, a methodology for a socio-economic analysis (SEA) especially as it might be adopted in the framework of REACH....

  1. New crosslinkers for electrospun chitosan fibre mats. I. Chemical analysis.

    Science.gov (United States)

    Austero, Marjorie S; Donius, Amalie E; Wegst, Ulrike G K; Schauer, Caroline L

    2012-10-07

    Chitosan (CS), the deacetylated form of chitin, the second most abundant, natural polysaccharide, is attractive for applications in the biomedical field because of its biocompatibility and resorption rates, which are higher than chitin. Crosslinking improves chemical and mechanical stability of CS. Here, we report the successful utilization of a new set of crosslinkers for electrospun CS. Genipin, hexamethylene-1,6-diaminocarboxysulphonate (HDACS) and epichlorohydrin (ECH) have not been previously explored for crosslinking of electrospun CS. In this first part of a two-part publication, we report the morphology, determined by field emission scanning electron microscopy (FESEM), and chemical interactions, determined by Fourier transform infrared microscopy, respectively. FESEM revealed that CS could successfully be electrospun from trifluoroacetic acid with genipin, HDACS and ECH added to the solution. Diameters were 267 ± 199 nm, 644 ± 359 nm and 896 ± 435 nm for CS-genipin, CS-HDACS and CS-ECH, respectively. Short- (15 min) and long-term (72 h) dissolution tests (T(600)) were performed in acidic, neutral and basic pHs (3, 7 and 12). Post-spinning activation by heat and base to enhance crosslinking of CS-HDACS and CS-ECH decreased the fibre diameters and improved the stability. In the second part of this publication, we report the mechanical properties of the fibres.

  2. Toxic hazard and chemical analysis of leachates from furfurylated wood.

    Science.gov (United States)

    Pilgård, Annica; Treu, Andreas; van Zeeland, Albert N T; Gosselink, Richard J A; Westin, Mats

    2010-09-01

    The furfurylation process is an extensively investigated wood modification process. Furfuryl alcohol molecules penetrate into the wood cell wall and polymerize in situ. This results in a permanent swelling of the wood cell walls. It is unclear whether or not chemical bonds exist between the furfuryl alcohol polymer and the wood. In the present study, five different wood species were used, both hardwoods and softwoods. They were treated with three different furfurylation procedures and leached according to three different leaching methods. The present study shows that, in general, the leachates from furfurylated wood have low toxicity. It also shows that the choice of leaching method is decisive for the outcome of the toxicity results. Earlier studies have shown that leachates from wood treated with furfuryl alcohol prepolymers have higher toxicity to Vibrio fischeri than leachates from wood treated with furfuryl alcohol monomers. This is probably attributable to differences in leaching of chemical compounds. The present study shows that this difference in the toxicity most likely cannot be attributed to maleic acid, furan, furfural, furfuryl alcohol, or 2-furoic acid. However, the difference might be caused by the two substances 5-hydroxymethylfurfural and 2,5-furandimethanol. The present study found no difference in the amount of leached furfuryl alcohol between leachates from furfurylated softwood and furfurylated hardwood species. Earlier studies have indicated differences in grafting of furfuryl alcohol to lignin. However, nothing was found in the present study that could support this. The leachates of furfurylated wood still need to be

  3. Nanoelectromechanical resonator arrays for ultrafast, gas-phase chromatographic chemical analysis.

    Science.gov (United States)

    Li, Mo; Myers, E B; Tang, H X; Aldridge, S J; McCaig, H C; Whiting, J J; Simonson, R J; Lewis, N S; Roukes, M L

    2010-10-13

    Miniaturized gas chromatography (GC) systems can provide fast, quantitative analysis of chemical vapors in an ultrasmall package. We describe a chemical sensor technology based on resonant nanoelectromechanical systems (NEMS) mass detectors that provides the speed, sensitivity, specificity, and size required by the microscale GC paradigm. Such NEMS sensors have demonstrated detection of subparts per billion (ppb) concentrations of a phosphonate analyte. By combining two channels of NEMS detection with an ultrafast GC front-end, chromatographic analysis of 13 chemicals was performed within a 5 s time window.

  4. Chemical Fingerprint Analysis and Quantitative Analysis of Rosa rugosa by UPLC-DAD

    Directory of Open Access Journals (Sweden)

    Sanawar Mansur

    2016-12-01

    Full Text Available A method based on ultra performance liquid chromatography with a diode array detector (UPLC-DAD was developed for quantitative analysis of five active compounds and chemical fingerprint analysis of Rosa rugosa. Ten batches of R. rugosa collected from different plantations in the Xinjiang region of China were used to establish the fingerprint. The feasibility and advantages of the used UPLC fingerprint were verified for its similarity evaluation by systematically comparing chromatograms with professional analytical software recommended by State Food and Drug Administration (SFDA of China. In quantitative analysis, the five compounds showed good regression (R2 = 0.9995 within the test ranges, and the recovery of the method was in the range of 94.2%–103.8%. The similarities of liquid chromatography fingerprints of 10 batches of R. rugosa were more than 0.981. The developed UPLC fingerprint method is simple, reliable, and validated for the quality control and identification of R. rugosa. Additionally, simultaneous quantification of five major bioactive ingredients in the R. rugosa samples was conducted to interpret the consistency of the quality test. The results indicated that the UPLC fingerprint, as a characteristic distinguishing method combining similarity evaluation and quantification analysis, can be successfully used to assess the quality and to identify the authenticity of R. rugosa.

  5. Chemical Fingerprint Analysis and Quantitative Analysis of Rosa rugosa by UPLC-DAD.

    Science.gov (United States)

    Mansur, Sanawar; Abdulla, Rahima; Ayupbec, Amatjan; Aisa, Haji Akbar

    2016-12-21

    A method based on ultra performance liquid chromatography with a diode array detector (UPLC-DAD) was developed for quantitative analysis of five active compounds and chemical fingerprint analysis of Rosa rugosa. Ten batches of R. rugosa collected from different plantations in the Xinjiang region of China were used to establish the fingerprint. The feasibility and advantages of the used UPLC fingerprint were verified for its similarity evaluation by systematically comparing chromatograms with professional analytical software recommended by State Food and Drug Administration (SFDA) of China. In quantitative analysis, the five compounds showed good regression (R² = 0.9995) within the test ranges, and the recovery of the method was in the range of 94.2%-103.8%. The similarities of liquid chromatography fingerprints of 10 batches of R. rugosa were more than 0.981. The developed UPLC fingerprint method is simple, reliable, and validated for the quality control and identification of R. rugosa. Additionally, simultaneous quantification of five major bioactive ingredients in the R. rugosa samples was conducted to interpret the consistency of the quality test. The results indicated that the UPLC fingerprint, as a characteristic distinguishing method combining similarity evaluation and quantification analysis, can be successfully used to assess the quality and to identify the authenticity of R. rugosa.

  6. Structure and substructure of austenite formed during heating of quenched and thermomechanically strengthened steels

    Energy Technology Data Exchange (ETDEWEB)

    Bernshtejn, M.L.; Kaputkina, L.M.; Prokoshkin, S.D.; Lyuttsau, A.V.; Prokoshkina, V.G. (Moskovskij Inst. Stali i Splavov (USSR))

    1982-06-01

    Mechanism of ..cap alpha.. ..-->.. ..gamma.. transformation in chromium and chromium-nickel steels, peculiarities of substructure formation of austenite formed at repeated heating after quenching and high-temperature thermomechanical treatment and its stability to recrystallization in steels with different martensite morphology and temperature of the initial stage of austenite formation are investigated.

  7. Quantifying Substructure Measures In X-ray Images of Galaxy Cluster Mergers With SLAM

    Science.gov (United States)

    Chatzikos, Marios; Sarazin, C. L.; O'Shea, B. W.

    2014-01-01

    I use the Simulation Library of Astrophysical galaxy cluster Mergers (SLAM) database to quantify the effects of mergers on X-ray observables. SLAM consists of a set of 156 adiabatic simulations of binary galaxy cluster mergers, that covers 2 orders of magnitude in the mass of the primary cluster, four values for the mass contrast, and four values for the angular momentum of the collision. In this talk I describe results on substructure measures obtained for various viewing angles. I have quantified the substructure in X-ray images using both center shifts and power ratios. Mergers of intermediate mass contrasts produce substructure signals that can persist in X-ray images for at least 1-2 sound crossing times. The amplitude of both measures depends strongly on the initial mass contrast. The measures for major mergers (mass contrast less than 3) appear to depend on the system mass, while for minor mergers (mass contrast between 3 and 10) they are generally independent of the system mass. Neither measure reflects the true dynamical state of the system closely, although the center shifts appear to be a better proxy. Comparisons with the virial and hydrostatic disequilibrium parameters reveal that there is no value of either substructure measure that unambiguously distinguishes merging from relaxing systems. Implications for SZE observations will also be discussed.

  8. Placing Limits on Extragalactic Substructure with Gravitational Lenses and Adaptive Optics

    NARCIS (Netherlands)

    Lagattuta, David J.; Vegetti, S.; Auger, M. W.; Fassnacht, C. D.; Koopmans, L. V. E.; McKean, J. P.

    2011-01-01

    We present the first results from a systematic search for extragalactic substructure, using high resolution Adaptive Optics (AO) images of known strong gravitational lenses. In particular we focus on two lens systems, B0128+437 and B1939+666, placing limits on both luminous and dark matter substruct

  9. Genetic sub-structure in western Mediterranean populations revealed by 12 Y-chromosome STR loci

    DEFF Research Database (Denmark)

    Rodríguez, V; Tomas Mas, Carmen; Sánchez, J J;

    2008-01-01

    .9988 +/- 0.0002. These Y-STRs markers showed a low capacity of discrimination (56.3%) in the Ibiza population probably due to genetic drift. Comparisons between the populations studied and other neighbouring populations showed a clear genetic sub-structure in the western Mediterranean area....

  10. Can galactic dark matter substructure contribute to the cosmic gamma-ray anisotropy?

    CERN Document Server

    Lange, J U

    2014-01-01

    The annihilation of dark matter (DM) particles in the Milky Way can contribute to the diffuse gamma-ray background (DGRB). Due to the presence of substructures, this emission will appear anisotropic in a predictable way. We generate full-sky maps of the gamma-ray emission in galactic substructures from results of the high-resolution Via Lactea II N-body simulation of the Milky Way DM halo. We calculate the anisotropy pattern, taking into account different radial profiles of the DM distribution in substructures, cosmic variance, and the detection threshold, and compare it to the anisotropy in the DGRB observed by the Fermi Large Area Telescope (LAT). By comparing the upper limits on the DM self-annihilation cross-section, , implied by the anisotropy to the intensity of the DGRB and detected sources in the LAT 2-yr Point Source Catalog, we find that galactic substructure cannot contribute to the anisotropies in the DGRB without strongly violating these observations. Our results challenge the perception that sma...

  11. Free-Interface Dual-Compatibility Modal Synthesis Substructure Method in Large-Scale Structures

    Institute of Scientific and Technical Information of China (English)

    Peng Guihan彭桂瀚; Lin Wei林伟; Chen Shanghong陈尚鸿; Yu Jiexin余洁歆

    2015-01-01

    Free-interface dual-compatibility modal synthesis method(compatibility of both force and displacement on interfaces)is introduced to large-scale civil engineering structure to enhance computation efficiency. The basic equations of the method are first set up, and then the mode cut-off principle and the dividing principle are proposed. MATLAB is used for simulation in different frame structures. The simulation results demonstrate the applicability of this substructure method to civil engineering structures and the correctness of the proposed mode cut-off princi-ple. Studies are also conducted on how to divide the whole structure for better computation efficiency while main-taining better precision. It is observed that the geometry and material properties should be considered, and the syn-thesis results would be more precise when the inflection points of the mode shapes are taken into consideration. Furthermore, the simulation performed on a large-scale high-rise connected structure further proves the feasibility and efficiency of this modal synthesis method compared with the traditional global method. It is also concluded from the simulation results that the fewer number of DOFs in each substructure will result in better computation efficiency, but too many substructures will be time-consuming due to the tedious synthesis procedures. Moreover, the substructures with free interface will introduce errors and reduce the precision dramatically, which should be avoided.

  12. Updating failure probability of a welded joint in offshore wind turbine substructures

    DEFF Research Database (Denmark)

    Mai, Quang A.; Sørensen, John Dalsgaard; Rigo, Philippe

    2016-01-01

    The operation and maintenance cost of offshore wind turbine substructures contributes significantly in the cost of a kWh. That cost may be lowered by application of reliability- and risk based maintenance strategies and reliability updating based on inspections performed during the design lifetim...

  13. Engineering and Functional Analysis of Mitotic Kinases Through Chemical Genetics.

    Science.gov (United States)

    Jones, Mathew J K; Jallepalli, Prasad V

    2016-01-01

    During mitosis, multiple protein kinases transform the cytoskeleton and chromosomes into new and highly dynamic structures that mediate the faithful transmission of genetic information and cell division. However, the large number and strong conservation of mammalian kinases in general pose significant obstacles to interrogating them with small molecules, due to the difficulty in identifying and validating those which are truly selective. To overcome this problem, a steric complementation strategy has been developed, in which a bulky "gatekeeper" residue within the active site of the kinase of interest is replaced with a smaller amino acid, such as glycine or alanine. The enlarged catalytic pocket can then be targeted in an allele-specific manner with bulky purine analogs. This strategy provides a general framework for dissecting kinase function with high selectivity, rapid kinetics, and reversibility. In this chapter we discuss the principles and techniques needed to implement this chemical genetic approach in mammalian cells.

  14. Chemical weapons detection by fast neutron activation analysis techniques

    Science.gov (United States)

    Bach, P.; Ma, J. L.; Froment, D.; Jaureguy, J. C.

    1993-06-01

    A neutron diagnostic experimental apparatus has been tested for nondestructive verification of sealed munitions. Designed to potentially satisfy a significant number of van-mobile requirements, this equipment is based on an easy to use industrial sealed tube neutron generator that interrogates the munitions of interest with 14 MeV neutrons. Gamma ray spectra are detected with a high purity germanium detector, especially shielded from neutrons and gamma ray background. A mobile shell holder has been used. Possible configurations allow the detection, in continuous or in pulsed modes, of gamma rays from neutron inelastic scattering, from thermal neutron capture, and from fast or thermal neutron activation. Tests on full scale sealed munitions with chemical simulants show that those with chlorine (old generation materials) are detectable in a few minutes, and those including phosphorus (new generation materials) in nearly the same time.

  15. Chemical analysis of 24 dusty (pre-)main-sequence stars

    CERN Document Server

    Acke, B; Acke, Bram; Waelkens, Christoffel

    2004-01-01

    We have analysed the chemical photospheric composition of 24 Herbig Ae/Be and Vega-type stars in search for the lambda Bootis phenomenon. We present the results of the elemental abundances of the sample stars. Some of the stars were never before studied spectroscopically at optical wavelengths. We have determined the projected rotational velocities of our sample stars. Furthermore, we discuss stars that depict a (selective) depletion pattern in detail. HD 4881 and HD 139614 seem to display an overall deficiency. AB Aur and possibly HD 126367 have subsolar values for the iron abundance, but are almost solar in silicon. HD 100546 is the only clear lambda Bootis star in our sample.

  16. Integrated Process Design, Control and Analysis of Intensified Chemical Processes

    DEFF Research Database (Denmark)

    Mansouri, Seyed Soheil

    chemical processes; for example, intensified processes such as reactive distillation. Most importantly, it identifies and eliminates potentially promising design alternatives that may have controllability problems later. To date, a number of methodologies have been proposed and applied on various problems......Process design and process control have been considered as independent problems for many years. In this context, a sequential approach is used where the process is designed first, followed by the control design. However, this sequential approach has its limitations related to dynamic constraint...... violations, for example, infeasible operating points, process overdesign or under-performance. Therefore, by using this approach, a robust performance is not always guaranteed. Furthermore, process design decisions can influence process control and operation. To overcome these limitations, an alternative...

  17. FINITE ELEMENT METHOD AND ANALYSIS FOR CHEMICAL-FLOODING SIMULATION

    Institute of Scientific and Technical Information of China (English)

    YUAN Yirang

    2000-01-01

    This article discusses the enhanced oil recovery numerical simulation of the chemical-flooding (such as surfactants, alcohol, polymers) composed of three-dimensional multicomponent, multiphase and incompressible mixed fluids. The mathematical model can be described as a coupled system of nonlinear partial differential equations with initialboundary value problems. From the actual conditions such as the effect of cross interference and the three-dimensional characteristic of large-scale science-engineering computation, this article puts forward a kind of characteristic finite element fractional step schemes and obtain the optimal order error estimates in L2 norm. Thus we have thoroughly solved the well-known theoretical problem proposed by a famous scientist, R. E. Ewing.

  18. Identification of population substructure among Jews using STR markers and dependence on reference populations included

    Directory of Open Access Journals (Sweden)

    Mutirangura Apiwat

    2010-06-01

    Full Text Available Abstract Background Detecting population substructure is a critical issue for association studies of health behaviors and other traits. Whether inherent in the population or an artifact of marker choice, determining aspects of a population's genetic history as potential sources of substructure can aid in design of future genetic studies. Jewish populations, among which association studies are often conducted, have a known history of migrations. As a necessary step in understanding population structure to conduct valid association studies of health behaviors among Israeli Jews, we investigated genetic signatures of this history and quantified substructure to facilitate future investigations of these phenotypes in this population. Results Using 32 autosomal STR markers and the program STRUCTURE, we differentiated between Ashkenazi (AJ, N = 135 and non-Ashkenazi (NAJ, N = 226 Jewish populations in the form of Northern and Southern geographic genetic components (AJ north 73%, south 23%, NAJ north 33%, south 60%. The ability to detect substructure within these closely related populations using a small STR panel was contingent on including additional samples representing major continental populations in the analyses. Conclusions Although clustering programs such as STRUCTURE are designed to assign proportions of ancestry to individuals without reference population information, when Jewish samples were analyzed in the absence of proxy parental populations, substructure within Jews was not detected. Generally, for samples with a given grandparental country of birth, STRUCTURE assignment values to Northern, Southern, African and Asian clusters agreed with mitochondrial DNA and Y-chromosomal data from previous studies as well as historical records of migration and intermarriage.

  19. Risk assessment for benefits analysis: framework for analysis of a thyroid-disrupting chemical.

    Science.gov (United States)

    Axelrad, Daniel A; Baetcke, Karl; Dockins, Chris; Griffiths, Charles W; Hill, Richard N; Murphy, Patricia A; Owens, Nicole; Simon, Nathalie B; Teuschler, Linda K

    Benefit-cost analysis is of growing importance in developing policies to reduce exposures to environmental contaminants. To quantify health benefits of reduced exposures, economists generally rely on dose-response relationships estimated by risk assessors. Further, to be useful for benefits analysis, the endpoints that are quantified must be expressed as changes in incidence of illnesses or symptoms that are readily understood by and perceptible to the layperson. For most noncancer health effects and for nonlinear carcinogens, risk assessments generally do not provide the dose-response functions necessary for economic benefits analysis. This article presents the framework for a case study that addresses these issues through a combination of toxicology, epidemiology, statistics, and economics. The case study assesses a chemical that disrupts proper functioning of the thyroid gland, and considers the benefits of reducing exposures in terms of both noncancer health effects (hypothyroidism) and thyroid cancers. The effects are presumed to be due to a mode of action involving interference with thyroid-pituitary functioning that would lead to nonlinear dose response. The framework integrates data from animal testing, statistical modeling, human data from the medical and epidemiological literature, and economic methodologies and valuation studies. This interdisciplinary collaboration differs from the more typical approach in which risk assessments and economic analyses are prepared independently of one another. This framework illustrates particular approaches that may be useful for expanded quantification of adverse health effects, and demonstrates the potential of such interdisciplinary approaches. Detailed implementation of the case study framework will be presented in future publications.

  20. Integrated separation and optical detection for novel on-chip chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Warren, M.E.; Anex, D.S.; Rakestraw, D.; Gourley, P.L.

    1998-03-01

    This report represents the completion of a two years Laboratory Directed Research and Development (LDRD) program to investigate miniaturized systems for chemical detection and analysis. The future of advanced chemical detection and analysis is in miniature devices that are able to characterize increasingly complex samples, a laboratory on a chip. In this concept, chemical operations used to analyze complicated samples in a chemical laboratory sample handling, species separation, chemical derivitization and detection are incorporated into a miniature device. By using electrokinetic flow, this approach does not require pumps or valves, as fluids in microfabricated channels can be driven by externally applied voltages. This is ideal for sample handling in miniature devices. This project was to develop truly miniature on-chip optical systems based on Vertical Cavity Surface Emitting Lasers (VCSELs) and diffractive optics. These can be built into a complete system that also has on-chip electrokinetic fluid handling and chemical separation in a microfabricated column. The primary goal was the design and fabrication of an on-chip separation column with fluorescence sources and detectors that, using electrokinetic flow, can be used as the basis of an automated chemical analysis system. Secondary goals involved investigation of a dispersed fluorescence module that can be used to extend the versatility of the basic system and on chip, intracavity laser absorption as a high sensitivity detection technique.

  1. Comprehensive Analysis Competence and Innovative Approaches for Sustainable Chemical Production.

    Science.gov (United States)

    Appel, Joerg; Colombo, Corrado; Dtwyler, Urs; Chen, Yun; Kerimoglu, Nimet

    2016-09-01

    Humanity currently sees itself facing enormous economic, ecological, and social challenges. Sustainable products and production in specialty chemistry are an important strategic element to address these megatrends. In addition to that, digitalization and global connectivity will create new opportunities for the industry. One aspect is examined in this paper, which shows the development of comprehensive analysis of production networks for a more sustainable production in which the need for innovative solutions arises. Examples from data analysis, advanced process control and automated performance monitoring are shown. These efforts have significant impact on improved yields, reduced energy and water consumption, and better product performance in the application of the products.

  2. Comprehensive Analysis Competence and Innovative Approaches for Sustainable Chemical Production.

    Science.gov (United States)

    Appel, Joerg; Colombo, Corrado; Dätwyler, Urs; Chen, Yun; Kerimoglu, Nimet

    2016-01-01

    Humanity currently sees itself facing enormous economic, ecological, and social challenges. Sustainable products and production in specialty chemistry are an important strategic element to address these megatrends. In addition to that, digitalization and global connectivity will create new opportunities for the industry. One aspect is examined in this paper, which shows the development of comprehensive analysis of production networks for a more sustainable production in which the need for innovative solutions arises. Examples from data analysis, advanced process control and automated performance monitoring are shown. These efforts have significant impact on improved yields, reduced energy and water consumption, and better product performance in the application of the products.

  3. Shotgun lipidomic analysis of chemically sulfated sterols compromises analytical sensitivity

    DEFF Research Database (Denmark)

    Casanovas, Albert; Hannibal-Bach, Hans Kristian; Jensen, Ole Nørregaard

    2014-01-01

    Fourier transform mass spectrometry (FTMS) for identification and quantification of lipid species [6]. Shotgun lipidomics affords extensive lipidome coverage by combining the analysis of lipid extracts in positive and negative ion mode [1, 3]. Notably, sterols such as cholesterol and ergosterol exhibit...

  4. Chemical analysis applied to the radiation sterilization of solid ketoprofen

    Science.gov (United States)

    Colak, S.; Maquille, A.; Tilquin, B.

    2006-01-01

    The aim of this work is to investigate the feasibility of radiation sterilization of ketoprofen from a chemical point of view. Although irradiated ketoprofen has already been studied in the literature [Katusin-Razem et al., Radiat. Phys. Chem. 73 111-116 (2005)], new results, on the basis of electron spin resonance (ESR) measurements and the use of hyphenated techniques (GC-MS and LC-MS), are obtained. The ESR spectra of irradiated ketoprofen consists of four unresolved resonance peaks and the mean G-value of ketoprofen is found to be 4 +/- 0.9 nmoles/J, which is very small. HPLC-UV analyses indicate that no significant loss of ketoprofen is detected after irradiation. LC-MS-MS analyses show that the structures of the non-volatile final products are similar to ketoprofen. Benzaldehyde is detected in the irradiated samples after dynamic-extraction GC-MS. The analyses show that ketoprofen is radioresistant and therefore might be radiosterilized.

  5. ISS Potable Water Sampling and Chemical Analysis Results for 2016

    Science.gov (United States)

    Straub, John E., II; Plumlee, Debrah K.; Wallace William T.; Alverson, James T.; Benoit, Mickie J.; Gillispie, Robert L.; Hunter, David; Kuo, Mike; Rutz, Jeffrey A.; Hudson, Edgar K.; Loh, Leslie J.; Gazda, Daniel B.

    2017-01-01

    This paper continues the annual tradition of summarizing at this conference the results of chemical analyses performed on archival potable water samples returned from the International Space Station (ISS). 2016 represented a banner year for life on board the ISS, including the successful conclusion for two crew members of a record one-year mission. Water reclaimed from urine and/or humidity condensate remained the primary source of potable water for the crew members of ISS Expeditions 46-50. The year 2016 was also marked by the end of a long-standing tradition of U.S. sampling and monitoring of Russian Segment potable water sources. Two water samples taken during Expedition 46 in February 2016 and returned on Soyuz 44, represented the final Russian Segment samples to be collected and analyzed by the U.S. side. Although anticipated for 2016, a rise in the total organic carbon (TOC) concentration of the product water from the U.S. water processor assembly due to breakthrough of organic contaminants from the system did not materialize, as evidenced by the onboard TOC analyzer and archive sample results.

  6. Hydrocarbon analysis using desorption atmospheric pressure chemical ionization

    KAUST Repository

    Jjunju, Fred Paul Mark

    2013-07-01

    Characterization of the various petroleum constituents (hydronaphthalenes, thiophenes, alkyl substituted benzenes, pyridines, fluorenes, and polycyclic aromatic hydrocarbons) was achieved under ambient conditions without sample preparation by desorption atmospheric pressure chemical ionization (DAPCI). Conditions were chosen for the DAPCI experiments to control whether ionization was by proton or electron transfer. The protonated molecule [M+H]+ and the hydride abstracted [MH]+ form were observed when using an inert gas, typically nitrogen, to direct a lightly ionized plasma generated by corona discharge onto the sample surface in air. The abundant water cluster ions generated in this experiment react with condensed-phase functionalized hydrocarbon model compounds and their mixtures at or near the sample surface. On the other hand, when naphthalene was doped into the DAPCI gas stream, its radical cation served as a charge exchange reagent, yielding molecular radical cations (M+) of the hydrocarbons. This mode of sample ionization provided mass spectra with better signal/noise ratios and without unwanted side-products. It also extended the applicability of DAPCI to petroleum constituents which could not be analyzed through proton transfer (e.g., higher molecular PAHs such as chrysene). The thermochemistry governing the individual ionization processes is discussed and a desorption/ionization mechanism is inferred. © 2012 Elsevier B.V.

  7. Chemical analysis of superconducting phase in K-doped picene

    Science.gov (United States)

    Kambe, Takashi; Nishiyama, Saki; Nguyen, Huyen L. T.; Terao, Takahiro; Izumi, Masanari; Sakai, Yusuke; Zheng, Lu; Goto, Hidenori; Itoh, Yugo; Onji, Taiki; Kobayashi, Tatsuo C.; Sugino, Hisako; Gohda, Shin; Okamoto, Hideki; Kubozono, Yoshihiro

    2016-11-01

    Potassium-doped picene (K3.0picene) with a superconducting transition temperature (T C) as high as 14 K at ambient pressure has been prepared using an annealing technique. The shielding fraction of this sample was 5.4% at 0 GPa. The T C showed a positive pressure-dependence and reached 19 K at 1.13 GPa. The shielding fraction also reached 18.5%. To investigate the chemical composition and the state of the picene skeleton in the superconducting sample, we used energy-dispersive x-ray (EDX) spectroscopy, MALDI-time-of-flight (MALDI-TOF) mass spectroscopy and x-ray diffraction (XRD). Both EDX and MALDI-TOF indicated no contamination with materials other than K-doped picene or K-doped picene fragments, and supported the preservation of the picene skeleton. However, it was also found that a magnetic K-doped picene sample consisted mainly of picene fragments or K-doped picene fragments. Thus, removal of the component contributing the magnetic quality to a superconducting sample should enhance the volume fraction.

  8. Analysis of physical and chemical parameters of bottled drinking water.

    Science.gov (United States)

    Mahajan, Rakesh Kumar; Walia, T P S; Lark, B S; Sumanjit

    2006-04-01

    Seventeen different brands of bottled drinking water, collected from different retail shops in Amritsar, were analyzed for different physical and chemical parameters to ascertain their compliability with the prescribed/recommended limits of the World Heath Organization (WHO) and the United States Environmental Protection Agency (USEPA). It was found that the majority of the brands tested were over-treated. Lower values of hardness, total dissolved solids (TDS) and conductance than the prescribed limits of WHO showed that water was deficient in essential minerals. Minerals like magnesium, potassium, calcium and fluoride were present in some cases in such a low concentration that water seemed to be as good as distilled water. Samples showing fluoride lesser than 0.5 mg/l warranted additional sources of fluoride for the people consuming only bottled water for drinking purposes. Zero values for chlorine demand as shown by all the bottled water samples showed that water samples were safe from micro-organisms. In case of heavy metals, only lead had been found to be greater than the limit of 0.015 mg/l as prescribed by WHO and USEPA, in seven out of 17 samples. Lead even at such a low concentration can pose a great health hazard.

  9. Continuous-flow centrifugation to collect suspended sediment for chemical analysis

    Science.gov (United States)

    Conn, Kathleen E.; Dinicola, Richard S.; Black, Robert W.; Cox, Stephen E.; Sheibley, Richard W.; Foreman, James R.; Senter, Craig A.; Peterson, Norman T.

    2016-12-22

    Recent advances in suspended-sediment monitoring tools and surrogate technologies have greatly improved the ability to quantify suspended-sediment concentrations and to estimate daily, seasonal, and annual suspended-sediment fluxes from rivers to coastal waters. However, little is known about the chemical composition of suspended sediment, and how it may vary spatially between water bodies and temporally within a single system owing to climate, seasonality, land use, and other natural and anthropogenic drivers. Many water-quality contaminants, such as organic and inorganic chemicals, nutrients, and pathogens, preferentially partition in sediment rather than water. Suspended sediment-bound chemical concentrations may be undetected during analysis of unfiltered water samples, owing to small water sample volumes and analytical limitations. Quantification of suspended sediment‑bound chemical concentrations is needed to improve estimates of total chemical concentrations, chemical fluxes, and exposure levels of aquatic organisms and humans in receiving environments. Despite these needs, few studies or monitoring programs measure the chemical composition of suspended sediment, largely owing to the difficulty in consistently obtaining samples of sufficient quality and quantity for laboratory analysis.A field protocol is described here utilizing continuous‑flow centrifugation for the collection of suspended sediment for chemical analysis. The centrifuge used for development of this method is small, lightweight, and portable for the field applications described in this protocol. Project scoping considerations, deployment of equipment and system layout options, and results from various field and laboratory quality control experiments are described. The testing confirmed the applicability of the protocol for the determination of many inorganic and organic chemicals sorbed on suspended sediment, including metals, pesticides, polycyclic aromatic hydrocarbons, and

  10. Virus and Bacterial Cell Chemical Analysis by NanoSIMS

    Energy Technology Data Exchange (ETDEWEB)

    Weber, P; Holt, J

    2008-07-28

    In past work for the Department of Homeland Security, the LLNL NanoSIMS team has succeeded in extracting quantitative elemental composition at sub-micron resolution from bacterial spores using nanometer-scale secondary ion mass spectrometry (NanoSIMS). The purpose of this task is to test our NanoSIMS capabilities on viruses and bacterial cells. This initial work has proven successful. We imaged Tobacco Mosaic Virus (TMV) and Bacillus anthracis Sterne cells using scanning electron microscopy (SEM) and then analyzed those samples by NanoSIMS. We were able resolve individual viral particles ({approx}18 nm by 300 nm) in the SEM and extract correlated elemental composition in the NanoSIMS. The phosphorous/carbon ratio observed in TMV is comparable to that seen in bacterial spores (0.033), as was the chlorine/carbon ratio (0.11). TMV elemental composition is consistent from spot to spot, and TMV is readily distinguished from debris by NanoSIMS analysis. Bacterial cells were readily identified in the SEM and relocated in the NanoSIMS for elemental analysis. The Ba Sterne cells were observed to have a measurably lower phosphorous/carbon ratio (0.005), as compared to the spores produced in the same run (0.02). The chlorine/carbon ratio was approximately 2.5X larger in the cells (0.2) versus the spores (0.08), while the fluorine/carbon ratio was approximately 10X lower in the cells (0.008) than the spores (0.08). Silicon/carbon ratios for both cells and spores encompassed a comparable range. The initial data in this study suggest that high resolution analysis is useful because it allows the target agent to be analyzed separate from particulates and other debris. High resolution analysis would also be useful for trace sample analysis. The next step in this work is to determine the potential utility of elemental signatures in these kinds of samples. We recommend bulk analyses of media and agent samples to determine the range of media compositions in use, and to determine how

  11. Effect of Soil-Structure Interaction on Seismic Performance of Long-Span Bridge Tested by Dynamic Substructuring Method

    Directory of Open Access Journals (Sweden)

    Zhenyun Tang

    2017-01-01

    Full Text Available Because of the limitations of testing facilities and techniques, the seismic performance of soil-structure interaction (SSI system can only be tested in a quite small scale model in laboratory. Especially for long-span bridge, a smaller tested model is required when SSI phenomenon is considered in the physical test. The scale effect resulting from the small scale model is always coupled with the dynamic performance, so that the seismic performance of bridge considering SSI effect cannot be uncovered accurately by the traditional testing method. This paper presented the implementation of real-time dynamic substructuring (RTDS, involving the combined use of shake table array and computational engines for the seismic simulation of SSI. In RTDS system, the bridge with soil-foundation system is divided into physical and numerical substructures, in which the bridge is seen as physical substructures and the remaining part is seen as numerical substructures. The interface response between the physical and numerical substructures is imposed by shake table and resulting reaction force is fed back to the computational engine. The unique aspect of the method is to simulate the SSI systems subjected to multisupport excitation in terms of a larger physical model. The substructuring strategy and the control performance associated with the real-time substructuring testing for SSI were performed. And the influence of SSI on a long-span bridge was tested by this novel testing method.

  12. Advances in Mid-Infrared Spectroscopy for Chemical Analysis

    Science.gov (United States)

    Haas, Julian; Mizaikoff, Boris

    2016-06-01

    Infrared spectroscopy in the 3-20 μm spectral window has evolved from a routine laboratory technique into a state-of-the-art spectroscopy and sensing tool by benefitting from recent progress in increasingly sophisticated spectra acquisition techniques and advanced materials for generating, guiding, and detecting mid-infrared (MIR) radiation. Today, MIR spectroscopy provides molecular information with trace to ultratrace sensitivity, fast data acquisition rates, and high spectral resolution catering to demanding applications in bioanalytics, for example, and to improved routine analysis. In addition to advances in miniaturized device technology without sacrificing analytical performance, selected innovative applications for MIR spectroscopy ranging from process analysis to biotechnology and medical diagnostics are highlighted in this review.

  13. Archaeological and chemical analysis of Tell el Yahudiyeh ware

    Energy Technology Data Exchange (ETDEWEB)

    Kaplan, M F; Harbottle, G; Sayre, E V

    1978-01-01

    Typological and geographic analyses indicate that Tell el Yahudiyeh ware (found in Cyprus, Egypt, Nubia, and the Levant during the Middle Bronze period, c. 1750-1550 B.C.) were probably manufactured in two areas, the Nile Valley and the Levant. Activation analysis was carried out and correlated with the archaeological analyses. Results confirm the two ''families'' of the ware, one Egyptian and one Levantine. Speculations are offered on the social interaction of the period. 11 figures, 2 tables. (DLC)

  14. Software for analysis of chemical mixtures--composition, occurrence, distribution, and possible toxicity

    Science.gov (United States)

    Scott, Jonathon C.; Skach, Kenneth A.; Toccalino, Patricia L.

    2013-01-01

    The composition, occurrence, distribution, and possible toxicity of chemical mixtures in the environment are research concerns of the U.S. Geological Survey and others. The presence of specific chemical mixtures may serve as indicators of natural phenomena or human-caused events. Chemical mixtures may also have ecological, industrial, geochemical, or toxicological effects. Chemical-mixture occurrences vary by analyte composition and concentration. Four related computer programs have been developed by the National Water-Quality Assessment Program of the U.S. Geological Survey for research of chemical-mixture compositions, occurrences, distributions, and possible toxicities. The compositions and occurrences are identified for the user-supplied data, and therefore the resultant counts are constrained by the user’s choices for the selection of chemicals, reporting limits for the analytical methods, spatial coverage, and time span for the data supplied. The distribution of chemical mixtures may be spatial, temporal, and (or) related to some other variable, such as chemical usage. Possible toxicities optionally are estimated from user-supplied benchmark data. The software for the analysis of chemical mixtures described in this report is designed to work with chemical-analysis data files retrieved from the U.S. Geological Survey National Water Information System but can also be used with appropriately formatted data from other sources. Installation and usage of the mixture software are documented. This mixture software was designed to function with minimal changes on a variety of computer-operating systems. To obtain the software described herein and other U.S. Geological Survey software, visit http://water.usgs.gov/software/.

  15. Inorganic chemical analysis of environmental materials—A lecture series

    Science.gov (United States)

    Crock, J.G.; Lamothe, P.J.

    2011-01-01

    At the request of the faculty of the Colorado School of Mines, Golden, Colorado, the authors prepared and presented a lecture series to the students of a graduate level advanced instrumental analysis class. The slides and text presented in this report are a compilation and condensation of this series of lectures. The purpose of this report is to present the slides and notes and to emphasize the thought processes that should be used by a scientist submitting samples for analyses in order to procure analytical data to answer a research question. First and foremost, the analytical data generated can be no better than the samples submitted. The questions to be answered must first be well defined and the appropriate samples collected from the population that will answer the question. The proper methods of analysis, including proper sample preparation and digestion techniques, must then be applied. Care must be taken to achieve the required limits of detection of the critical analytes to yield detectable analyte concentration (above "action" levels) for the majority of the study's samples and to address what portion of those analytes answer the research question-total or partial concentrations. To guarantee a robust analytical result that answers the research question(s), a well-defined quality assurance and quality control (QA/QC) plan must be employed. This QA/QC plan must include the collection and analysis of field and laboratory blanks, sample duplicates, and matrix-matched standard reference materials (SRMs). The proper SRMs may include in-house materials and/or a selection of widely available commercial materials. A discussion of the preparation and applicability of in-house reference materials is also presented. Only when all these analytical issues are sufficiently addressed can the research questions be answered with known certainty.

  16. Chemical landscape analysis with the OpenTox framework.

    Science.gov (United States)

    Jeliazkova, Nina; Jeliazkov, Vedrin

    2012-01-01

    , the method is implemented as part of an existing open source Ambit package and could be accessed via an OpenTox API compliant web service and via an interactive application, running within a modern, JavaScript enabled web browser. Combined with the functionalities already offered by the OpenTox framework, like data sharing and remote calculations, it could be a useful tool for exploring chemical landscapes online.

  17. Nanoelectromechanical Resonator Arrays for Ultrafast, Gas-Phase Chromatographic Chemical Analysis

    OpenAIRE

    Li, Mo; Myers, E. B.; Tang, H. X.; Aldridge, S. J.; McCaig, H. C.; Whiting, J. J.; Simonson, R. J.; Lewis, N. S.; Roukes, M. L.

    2010-01-01

    Miniaturized gas chromatography (GC) systems can provide fast, quantitative analysis of chemical vapors in an ultrasmall package. We describe a chemical sensor technology based on resonant nanoelectromechanical systems (NEMS) mass detectors that provides the speed, sensitivity, specificity, and size required by the microscale GC paradigm. Such NEMS sensors have demonstrated detection of subparts per billion (ppb) concentrations of a phosphonate analyte. By combining two channels of NEMS detec...

  18. Theoretical considerations of Flow Injection Analysis in the Absence of Chemical Reactions

    DEFF Research Database (Denmark)

    Andersen, Jens Enevold Thaulov

    2000-01-01

    The fundamental mechanism of flow injection analysis (FIA) is assumed to be simple dissusion and the response of the detector is included in a model description that provide information about the shape of the FIA peak in terms of, basically, five parameters. Two of the five parameters are associa...... that any deviation from the features of the present model and the results of a tentative chemical reaction with one of the test compounds, is related to chemical kinetics....

  19. Techniques for SMM/THz Chemical Analysis: Investigations and Exploitation of the Large Molecule Limit

    Science.gov (United States)

    2014-03-03

    SECURITY CLASSIFICATION OF: It has long been recognized that the SMM /THz has a unique combinations of attributes that make it attractive as a basis for...applicability of SMM chemical sensors; the second is to explore infrared – SMM double resonance as a basis for atmospheric remote sensing; and the third...2014 12-Aug-2009 11-Aug-2013 Approved for Public Release; Distribution Unlimited Techniques for SMM /THz Chemical Analysis: Investigations and

  20. The dilemma in prioritizing chemicals for environmental analysis: known versus unknown hazards.

    Science.gov (United States)

    Anna, Sobek; Sofia, Bejgarn; Christina, Rudén; Magnus, Breitholtz

    2016-08-10

    A major challenge for society is to manage the risks posed by the many chemicals continuously emitted to the environment. All chemicals in production and use cannot be monitored and science-based strategies for prioritization are essential. In this study we review available data to investigate which substances are included in environmental monitoring programs and published research studies reporting analyses of chemicals in Baltic Sea fish between 2000 and 2012. Our aim is to contribute to the discussion of priority settings in environmental chemical monitoring and research, which is closely linked to chemical management. In total, 105 different substances or substance groups were analyzed in Baltic Sea fish. Polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans (PCDD/Fs) and polychlorinated biphenyls (PCBs) were the most studied substances or substance groups. The majority, 87%, of all analyses comprised 20% of the substances or substance groups, whereas 46 substance groups (44%) were analyzed only once. Almost three quarters of all analyses regarded a POP-substance (persistent organic pollutant). These results demonstrate that the majority of analyses on environmental contaminants in Baltic Sea fish concern a small number of already regulated chemicals. Legacy pollutants such as POPs pose a high risk to the Baltic Sea due to their hazardous properties. Yet, there may be a risk that prioritizations for chemical analyses are biased based on the knowns of the past. Such biases may lead to society failing in identifying risks posed by yet unknown hazardous chemicals. Alternative and complementary ways to identify priority chemicals are needed. More transparent communication between risk assessments performed as part of the risk assessment process within REACH and monitoring programs, and information on chemicals contained in consumer articles, would offer ways to identify chemicals for environmental analysis.

  1. The challenge of predicting problematic chemicals using a decision analysis tool: Triclosan as a case study.

    Science.gov (United States)

    Perez, Angela L; Gauthier, Alison M; Ferracini, Tyler; Cowan, Dallas M; Kingsbury, Tony; Panko, Julie

    2017-01-01

    Manufacturers lack a reliable means for determining whether a chemical will be targeted for deselection from their supply chain. In this analysis, 3 methods for determining whether a specific chemical (triclosan) would meet the criteria necessary for being targeted for deselection are presented. The methods included a list-based approach, use of a commercially available chemical assessment software tool run in 2 modes, and a public interest evaluation. Our results indicated that triclosan was included on only 6 of the lists reviewed, none of which were particularly influential in chemical selection decisions. The results from the chemical assessment tool evaluations indicated that human and ecological toxicity for triclosan is low and received scores indicating that the chemical would be considered of low concern. However, triclosan's peak public interest tracked several years in advance of increased regulatory scrutiny of this chemical suggesting that public pressure may have been influential in deselection decisions. Key data gaps and toxicity endpoints not yet regulated such as endocrine disruption potential or phototoxicity, but that are important to estimate the trajectory for deselection of a chemical, are discussed. Integr Environ Assess Manag 2017;13:198-207. © 2016 SETAC.

  2. Environmental Chemical Analysis (by B. B. Kebbekus and S. Mitra)

    Science.gov (United States)

    Bower, Reviewed By Nathan W.

    1999-11-01

    This text helps to fill a void in the market, as there are relatively few undergraduate instrumental analysis texts designed specifically for the expanding population of environmental science students. R. N. Reeve's introductory, open-learning Environmental Analysis (Wiley, 1994) is one of the few, and it is aimed at a lower level and is less appropriate for traditional classroom study. Kebbekus and Mitra's book appears to be an update of I. Marr and M. Cresser's excellent 1983 text by the same name (and also published under the Chapman and Hall imprint). It assumes no background in instrumental methods of analysis but it does depend upon a good general chemistry background in kinetic and equilibrium calculations and the standard laboratory techniques found in a classical introduction to analytical chemistry. The slant taken by the authors is aimed more toward engineers, not only in the choice of topics, but also in how they are presented. For example, the statistical significance tests presented follow an engineering format rather than the standard used in analytical chemistry. This approach does not detract from the book's clarity. The writing style is concise and the book is generally well written. The earlier text, which has become somewhat of a classic, took the unusual step of teaching the instruments in the context of their environmental application. It was divided into sections on the "atmosphere", the "hydrosphere", the "lithosphere", and the "biosphere". This text takes a similar approach in the second half, with chapters on methods for air, water, and solid samples. Users who intend to use the book as a text instead of a reference will appreciate the addition of chapters in the first half of the book on spectroscopic, chromatographic, and mass spectrometric methods. The six chapters in these two parts of the book along with four chapters scattered throughout on environmental measurements, sampling, sample preparation, and quality assurance make a nice

  3. Surface characterization and chemical analysis of bamboo substrates pretreated by alkali hydrogen peroxide.

    Science.gov (United States)

    Song, Xueping; Jiang, Yan; Rong, Xianjian; Wei, Wei; Wang, Shuangfei; Nie, Shuangxi

    2016-09-01

    The surface characterization and chemical analysis of bamboo substrates by alkali hydrogen peroxide pretreatment (AHPP) were investigated in this study. The results tended to manifest that AHPP prior to enzymatic and chemical treatment was potential for improving accessibility and reactivity of bamboo substrates. The inorganic components, organic solvent extractives and acid-soluble lignin were effectively removed by AHPP. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface of bamboo chips had less lignin but more carbohydrate after pre-treatment. Fiber surfaces became etched and collapsed, and more pores and debris on the substrate surface were observed with Scanning Electron Microscopy (SEM). Brenauer-Emmett-Teller (BET) results showed that both of pore volume and surface area were increased after AHPP. Although XRD analysis showed that AHPP led to relatively higher crystallinity, pre-extraction could overall enhance the accessibility of enzymes and chemicals into the bamboo structure.

  4. Chemical and Nutrient Analysis of Gingerbread Plum (Neocarya macrophylla Seeds

    Directory of Open Access Journals (Sweden)

    Tidjani Amza

    2010-07-01

    Full Text Available The proximate composition of gingerbread plum (Neocarya macrophylla seeds, mineral, fatty acid and amino acid compositions were evaluated. The proximate analysis revealed the following composition: moisture 10.57 and 10%, ash 4.43 and 6.43%, fat 47.28 and 2.14%, crude protein 20.37 and 61.71%, carbohydrates 8.64 and 12.10% and crude fiber 8.70 and 7.37% for Gingerbread Plum Seed Flour (GPSF and Defatted Gingerbread Plum Seed Flour (DGPSF respectively. Oleic, linoleic and arachidonic acids were the major unsaturated fatty acids with 47.15, 19.10 and 17.64% respectively. Saturated fatty acids accounted for 14.72% of total fatty acids. The main saturated fatty acids were palmitic and stearic, with minute amounts of arachidic. Magnesium, potassium and calcium were the predominant elements present in the seeds. Copper, iron and manganese were also detected in appreciable amounts. Essential amino acids were above the recommended amount by Food Agricultural Organization/W orld Health Organization (FAO/WHO for humans. The results of the present investigation showed that gingerbread plum seeds are a rich source of many important nutrients that appear to have a very positive effect on human health.

  5. Chemical analysis of Asymptotic Giant Branch stars in M62

    CERN Document Server

    Lapenna, E; Ferraro, F R; Origlia, L; Lanzoni, B; Massari, D; Dalessandro, E

    2015-01-01

    We have collected UVES-FLAMES high-resolution spectra for a sample of 6 asymptotic giant branch (AGB) and 13 red giant branch (RGB) stars in the Galactic globular cluster M62 (NGC6266). Here we present the detailed abundance analysis of iron, titanium, and light-elements (O, Na, Al and Mg). For the majority (5 out 6) of the AGB targets we find that the abundances, of both iron and titanium, determined from neutral lines are significantly underestimated with respect to those obtained from ionized features, the latter being, instead, in agreement with those measured for the RGB targets. This is similar to recent findings in other clusters and may suggest the presence of Non-Local Thermodynamical Equilibrium (NLTE) effects. In the O-Na, Al-Mg and Na-Al planes, the RGB stars show the typical correlations observed for globular cluster stars. Instead, all the AGB targets are clumped in the regions where first generation stars are expected to lie, similarly to what recently found for the AGB population of NGC6752. W...

  6. CHEMICAL ANALYSIS OF ASYMPTOTIC GIANT BRANCH STARS IN M62

    Energy Technology Data Exchange (ETDEWEB)

    Lapenna, E.; Mucciarelli, A.; Ferraro, F. R.; Lanzoni, B.; Dalessandro, E. [Dipartimento di Fisica e Astronomia, Università degli Studi di Bologna, Viale Berti Pichat 6/2, I-40127 Bologna (Italy); Origlia, L.; Massari, D. [INAF-Osservatorio Astronomico di Bologna, Via Ranzani, 1, I-40127 Bologna (Italy)

    2015-11-10

    We have collected UVES-FLAMES high-resolution spectra for a sample of 6 asymptotic giant branch (AGB) and 13 red giant branch (RGB) stars in the Galactic globular cluster (GC) M62 (NGC 6266). Here we present the detailed abundance analysis of iron, titanium, and light elements (O, Na, Mg, and Al). For the majority (five out of six) of the AGB targets, we find that the abundances of both iron and titanium determined from neutral lines are significantly underestimated with respect to those obtained from ionized features, the latter being, instead, in agreement with those measured for the RGB targets. This is similar to recent findings in other clusters and may suggest the presence of nonlocal thermodynamic equilibrium (NLTE) effects. In the O–Na, Al–Mg, and Na–Al planes, the RGB stars show the typical correlations observed for GC stars. Instead, all the AGB targets are clumped in the regions where first-generation stars are expected to lie, similar to what was recently found for the AGB population of NGC 6752. While the sodium and aluminum abundances could be underestimated as a consequence of the NLTE bias affecting iron and titanium, the oxygen line used does not suffer from the same effects, and the lack of O-poor AGB stars therefore is a solid result. We can thus conclude that none of the investigated AGB stars belongs to the second stellar generation of M62. We also find an RGB star with extremely high sodium abundance ([Na/Fe] = +1.08 dex)

  7. Chemical imaging and solid state analysis at compact surfaces using UV imaging

    DEFF Research Database (Denmark)

    Wu, Jian X.; Rehder, Sönke; van den Berg, Frans;

    2014-01-01

    Fast non-destructive multi-wavelength UV imaging together with multivariate image analysis was utilized to visualize distribution of chemical components and their solid state form at compact surfaces. Amorphous and crystalline solid forms of the antidiabetic compound glibenclamide...... and excipients in a non-invasive way, as well as mapping the glibenclamide solid state form. An exploratory data analysis supported the critical evaluation of the mapping results and the selection of model parameters for the chemical mapping. The present study demonstrated that the multi-wavelength UV imaging...

  8. Participation in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater

    Energy Technology Data Exchange (ETDEWEB)

    Joe, Kih Soo; Choi, Kwang Soon; Han, Sun Ho; Suh, Moo Yul; Park, Kyung Kyun; Choi, Ke Chun; Kim, Won Ho

    2000-08-01

    KAERI analytical laboratory participated in the 1999 IAEA interlaboratory comparison on chemical analysis of groundwater organized by IAEA Hydrology Laboratory(RAS/8/084). 13 items such as pH, electroconductivity, HCO{sub 3}, Cl, SO{sub 4}, NO{sub 3}, SiO{sub 2}, B, Li, Na, K, Ca, Mg were analyzed. The result of this program showed that KAERI laboratory was ranked within 10% range from top level. An analytical expert in KAERI attended the 'Consultants' Meeting' at IAEA headquater and prepared the guideline for chemical analysis of groundwater.

  9. Chemical analysis and quality control of Ginkgo biloba leaves, extracts, and phytopharmaceuticals

    OpenAIRE

    van Beek; Montoro, P.

    2009-01-01

    The chemical analysis and quality control of Ginkgo leaves, extracts, phytopharmaceuticals and some herbal supplements is comprehensively reviewed. The review is an update of a similar, earlier review in this journal [T.A. van Beek, J. Chromatogr. A 967 (2002) 21¿55]. Since 2001 over 3000 papers on Ginkgo biloba have appeared, and about 400 of them pertain to chemical analysis in a broad sense and are cited herein. The more important ones are discussed and, where relevant, compared with the b...

  10. Scanning angle Raman spectroscopy: Investigation of Raman scatter enhancement techniques for chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Matthew W. [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    This thesis outlines advancements in Raman scatter enhancement techniques by applying evanescent fields, standing-waves (waveguides) and surface enhancements to increase the generated mean square electric field, which is directly related to the intensity of Raman scattering. These techniques are accomplished by employing scanning angle Raman spectroscopy and surface enhanced Raman spectroscopy. A 1064 nm multichannel Raman spectrometer is discussed for chemical analysis of lignin. Extending dispersive multichannel Raman spectroscopy to 1064 nm reduces the fluorescence interference that can mask the weaker Raman scattering. Overall, these techniques help address the major obstacles in Raman spectroscopy for chemical analysis, which include the inherently weak Raman cross section and susceptibility to fluorescence interference.

  11. New Constraints on the Complex Mass Substructure in Abell 1689 from Gravitational Flexion

    CERN Document Server

    Leonard, Adrienne; Goldberg, David M

    2010-01-01

    In a recent publication, the flexion aperture mass statistic was found to provide a robust and effective method by which substructure in galaxy clusters might be mapped. Moreover, we suggested that constraints on the masses and mass profile of structures might be constrained using this method. In this paper, we apply the flexion aperture mass technique to HST ACS images of Abell 1689. We compare this measure to the weak lensing shear aperture mass statistic, and demonstrate that the flexion aperture mass statistic is more sensitive to structures on the scales considered, dramatically outperforming the shear aperture mass statistic on this dataset, which suffers from persistent systematic noise. While the central potential is not constrained by our method, due largely to missing data in the central 0.5$^\\prime$ of the cluster, we are able to place constraints on the masses and mass profiles of prominent substructures. Considering 16 flexion aperture mass reconstructions, we identify 4 separate mass peaks, and ...

  12. A substructure inside spiral arms, and a mirror image across the Galactic Meridian

    CERN Document Server

    Vallee, Jacques P

    2016-01-01

    While the galactic density wave theory is over 50 years old and well known in science, whether it fits our own Milky Way disk has been difficult to say. Here we show a substructure inside the spiral arms. This substructure is reversing with respect to the Galactic Meridian (longitude zero), and crosscuts of the arms at negative longitudes appear as mirror images of crosscuts of the arms at positive longitudes. Four lanes are delineated: mid-arm (extended 12CO gas at mid arm, HI atoms), in-between offset by about 100 pc (synchrotron, radio recombination lines), in between offset by about 200 pc (masers, colder dust), and inner edge (hotter dust seen in Mid-IR and Near-IR).

  13. Development and Demonstration of a Magnesium-Intensive Vehicle Front-End Substructure

    Energy Technology Data Exchange (ETDEWEB)

    Logan, Stephen D. [United States Automotive Materials Partnership LLC, Southfield, MI (United States); Forsmark, Joy H. [United States Automotive Materials Partnership LLC, Southfield, MI (United States); Osborne, Richard [United States Automotive Materials Partnership LLC, Southfield, MI (United States)

    2016-07-01

    This project is the final phase (designated Phase III) of an extensive, nine-year effort with the objectives of developing a knowledge base and enabling technologies for the design, fabrication and performance evaluation of magnesium-intensive automotive front-end substructures intended to partially or completely replace all-steel comparators, providing a weight savings approaching 50% of the baseline. Benefits of extensive vehicle weight reduction in terms of fuel economy increase, extended vehicle range, vehicle performance and commensurate reductions in greenhouse gas emissions are well known. An exemplary vehicle substructure considered by the project is illustrated in Figure 1, along with the exterior vehicle appearance. This unibody front-end “substructure” is one physical objective of the ultimate design and engineering aspects established at the outset of the larger collective effort.

  14. Twisting phonons in complex crystals with quasi-one-dimensional substructures.

    Science.gov (United States)

    Chen, Xi; Weathers, Annie; Carrete, Jesús; Mukhopadhyay, Saikat; Delaire, Olivier; Stewart, Derek A; Mingo, Natalio; Girard, Steven N; Ma, Jie; Abernathy, Douglas L; Yan, Jiaqiang; Sheshka, Raman; Sellan, Daniel P; Meng, Fei; Jin, Song; Zhou, Jianshi; Shi, Li

    2015-04-15

    A variety of crystals contain quasi-one-dimensional substructures, which yield distinctive electronic, spintronic, optical and thermoelectric properties. There is a lack of understanding of the lattice dynamics that influences the properties of such complex crystals. Here we employ inelastic neutron scatting measurements and density functional theory calculations to show that numerous low-energy optical vibrational modes exist in higher manganese silicides, an example of such crystals. These optical modes, including unusually low-frequency twisting motions of the Si ladders inside the Mn chimneys, provide a large phase space for scattering acoustic phonons. A hybrid phonon and diffuson model is proposed to explain the low and anisotropic thermal conductivity of higher manganese silicides and to evaluate nanostructuring as an approach to further suppress the thermal conductivity and enhance the thermoelectric energy conversion efficiency. This discovery offers new insights into the structure-property relationships of a broad class of materials with quasi-one-dimensional substructures for various applications.

  15. Fast and accurate protein substructure searching with simulated annealing and GPUs

    Directory of Open Access Journals (Sweden)

    Stivala Alex D

    2010-09-01

    Full Text Available Abstract Background Searching a database of protein structures for matches to a query structure, or occurrences of a structural motif, is an important task in structural biology and bioinformatics. While there are many existing methods for structural similarity searching, faster and more accurate approaches are still required, and few current methods are capable of substructure (motif searching. Results We developed an improved heuristic for tableau-based protein structure and substructure searching using simulated annealing, that is as fast or faster and comparable in accuracy, with some widely used existing methods. Furthermore, we created a parallel implementation on a modern graphics processing unit (GPU. Conclusions The GPU implementation achieves up to 34 times speedup over the CPU implementation of tableau-based structure search with simulated annealing, making it one of the fastest available methods. To the best of our knowledge, this is the first application of a GPU to the protein structural search problem.

  16. Factorization for groomed jet substructure beyond the next-to-leading logarithm

    CERN Document Server

    Frye, Christopher; Schwartz, Matthew D; Yan, Kai

    2016-01-01

    Jet grooming algorithms are widely used in experimental analyses at hadron colliders to remove contaminating radiation from within jets. While the algorithms perform a great service to the experiments, their intricate algorithmic structure and multiple parameters has frustrated precision theoretic understanding. In this paper, we demonstrate that one particular groomer called soft drop actually makes precision jet substructure easier. In particular, we derive a factorization formula for a large class of soft drop jet substructure observables, including jet mass. The essential observation that allows for this factorization is that, without the soft wide-angle radiation groomed by soft drop, all singular contributions are collinear. The simplicity and universality of the collinear limit in QCD allows us to show that to all orders, the normalized differential cross section has no contributions from non-global logarithms. It is also independent of process, up to the relative fraction of quark and gluon jets. In f...

  17. Damage detection test of a substructure model of the National Swimming Center

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    In order to detect the damage locations of complex spatial structures, a sensor region-based damage detection approach was developed based on the damage locating vectors method. A normalized damage locating index was introduced to identify the damage regions. An experiment on damage detection of a substructure model of the National Swimming Center ’Water Cube’ was carried out. Two damage patterns were involved in the experiment. The test model was excited by using hammer impacts. Acceleration responses of the undamaged and damaged structure model were measured. Modal parameters were identified from the acceleration responses by utilizing the eigensystem realization algorithm (ERA). By using the developed sensor region-based method, the damage regions of the substructure model were located. The results show that the proposed method is able to effec- tively locate the damage regions.

  18. Performance of large-R jets and jet substructure reconstruction with the ATLAS detector

    CERN Document Server

    The ATLAS collaboration

    2012-01-01

    This paper presents the application of techniques to study jet substructure. The performance of modified jet algorithms for a variety of jet types and event topologies is investigated. Properties of jets subjected to the mass-drop filtering, trimming and pruning algorithms are found to have a reduced sensitivity to multiple proton-proton interactions and exhibit improved stability at high luminosity. Monte Carlo studies of the signal-background discrimination with jet grooming in new physics searches based on jet invariant mass and jet substructure properties are also presented. The application of jet trimming is shown to improve the robustness of large-R jet measurements, reduce sensitivity to the superfluous effects due to the intense environment of the high luminosity LHC, and improve the physics potential of searches for heavy boosted objects. The analyses presented in this note use the full 2011 ATLAS dataset, corresponding to an integrated luminosity of 4.7 \\pm 0.2 fb−1 .

  19. Prefabricated floor panels composed of fiber reinforced concrete and a steel substructure

    DEFF Research Database (Denmark)

    Lárusson, Lárus H.; Fischer, Gregor; Jönsson, Jeppe

    2013-01-01

    loading at the serviceability and ultimate limit states. The composite construction concept offers flexibility in the assembly process, the ability to adapt to various load and boundary requirements, and efficient utilization of material properties that result in a light weight prefabricated structural......This paper reports on a study on prefabricated composite and modular floor deck panels composed of relatively thin fiber reinforced concrete slabs connected to steel substructures. The study focuses on the design, manufacturing, structural improvements and behavior of the floor systems during...... detailing of these integrally cast deck panels and to modify them by providing individually cast anchor points in the precast ECC slab, which are subsequently used to attach a steel truss substructure.Full-scale experiments were carried out to verify the structural behavior of the integrally cast panels...

  20. Seasonal variations of radon concentrations in single-family houses with different sub-structures

    DEFF Research Database (Denmark)

    Majborn, B.

    1992-01-01

    Seasonal variations of indoor radon concentrations have been studied in 70 single-family houses selected according to the type of sub-structure and the type of soil underneath the house. Five categories of sub-structure were included - slab-on-grade, crawl space, basement, and combinations...... of basement with slab-on-grade or crawl space. Half of the houses are located on clayey till and the other half on glaciofluvial gravel. In each house radon was measured in a living room and a bedroom, in the basement if present, and in the crawl space if present and accessible. The measurements were made...... with track detectors on a quarterly basis throughout a year. For living rooms and bedrooms the seasonal variations range from being highly significant for the slab-on-grade houses to being insignificant for the crawl space houses. For basements and crawl spaces the geometric mean radon concentrations do...

  1. Damage detection test of a substructure model of the National Swimming Center

    Institute of Scientific and Technical Information of China (English)

    QIAN JiaRu; JI XiaoDong; ZHANG WeiJing; XU LongHe; FU XueYi; GU Lei

    2008-01-01

    In order to detect the damage locations of complex spatial structures,a sensor region-based damage detection approach was developed based on the damage locating vectors method.A normalized damage locating index was introduced to identify the damage regions.An experiment on damage detection of a substructure model of the National Swimming Center 'Water Cube' was carried out.Two damage patterns were involved in the experiment.The test model was excited by using hammer impacts.Acceleration responses of the undamaged and damaged struc-ture model were measured.Modal parameters were identified from the acceleration responses by utilizing the eigensystem realization algorithm (ERA).By using the developed sensor region-based method,the damage regions of the substructure model were located.The results show that the proposed method is able to effec-tively locate the damage regions.

  2. Size distribution measurements and chemical analysis of aerosol components

    Energy Technology Data Exchange (ETDEWEB)

    Pakkanen, T.A.

    1995-12-31

    The principal aims of this work were to improve the existing methods for size distribution measurements and to draw conclusions about atmospheric and in-stack aerosol chemistry and physics by utilizing size distributions of various aerosol components measured. A sample dissolution with dilute nitric acid in an ultrasonic bath and subsequent graphite furnace atomic absorption spectrometric analysis was found to result in low blank values and good recoveries for several elements in atmospheric fine particle size fractions below 2 {mu}m of equivalent aerodynamic particle diameter (EAD). Furthermore, it turned out that a substantial amount of analyses associated with insoluble material could be recovered since suspensions were formed. The size distribution measurements of in-stack combustion aerosols indicated two modal size distributions for most components measured. The existence of the fine particle mode suggests that a substantial fraction of such elements with two modal size distributions may vaporize and nucleate during the combustion process. In southern Norway, size distributions of atmospheric aerosol components usually exhibited one or two fine particle modes and one or two coarse particle modes. Atmospheric relative humidity values higher than 80% resulted in significant increase of the mass median diameters of the droplet mode. Important local and/or regional sources of As, Br, I, K, Mn, Pb, Sb, Si and Zn were found to exist in southern Norway. The existence of these sources was reflected in the corresponding size distributions determined, and was utilized in the development of a source identification method based on size distribution data. On the Finnish south coast, atmospheric coarse particle nitrate was found to be formed mostly through an atmospheric reaction of nitric acid with existing coarse particle sea salt but reactions and/or adsorption of nitric acid with soil derived particles also occurred. Chloride was depleted when acidic species reacted

  3. Biological and chemical removal of Cr(VI) from waste water: cost and benefit analysis.

    Science.gov (United States)

    Demir, Aynur; Arisoy, Münevver

    2007-08-17

    The objective of the present study is cost and benefit analysis of biological and chemical removal of hexavalent chromium [Cr(VI)] ions. Cost and benefit analysis were done with refer to two separate studies on removal of Cr(VI), one of heavy metals with a crucial role concerning increase in environmental pollution and disturbance of ecological balance, through biological adsorption and chemical ion-exchange. Methods of biological and chemical removal were compared with regard to their cost and percentage in chrome removal. According to the result of the comparison, cost per unit in chemical removal was calculated 0.24 euros and the ratio of chrome removal was 99.68%, whereas those of biological removal were 0.14 and 59.3% euros. Therefore, it was seen that cost per unit in chemical removal and chrome removal ratio were higher than those of biological removal method. In the current study where chrome removal is seen as immeasurable benefit in terms of human health and the environment, percentages of chrome removal were taken as measurable benefit and cost per unit of the chemicals as measurable cost.

  4. An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

    Science.gov (United States)

    Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

    2014-01-01

    The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

  5. Thinking outside the ROCs: Designing Decorrelated Taggers (DDT) for jet substructure

    Science.gov (United States)

    Dolen, James; Harris, Philip; Marzani, Simone; Rappoccio, Salvatore; Tran, Nhan

    2016-05-01

    We explore the scale-dependence and correlations of jet substructure observables to improve upon existing techniques in the identification of highly Lorentz-boosted objects. Modified observables are designed to remove correlations from existing theoretically well-understood observables, providing practical advantages for experimental measurements and searches for new phenomena. We study such observables in W jet tagging and provide recommendations for observables based on considerations beyond signal and background efficiencies.

  6. Thinking outside the ROCs: Designing Decorrelated Taggers (DDT) for jet substructure

    CERN Document Server

    Dolen, James; Marzani, Simone; Rappoccio, Salvatore; Tran, Nhan

    2016-01-01

    We explore the scale-dependence and correlations of jet substructure observables to improve upon existing techniques in the identification of highly Lorentz-boosted objects. Modified observables are designed to remove correlations from existing theoretically well-understood observables, providing practical advantages for experimental measurements and searches for new phenomena. We study such observables in $W$ jet tagging and provide recommendations for observables based on considerations beyond signal and background efficiencies.

  7. Pre-Processing and Re-Weighting Jet Images with Different Substructure Variables

    CERN Document Server

    Huynh, Lynn

    2016-01-01

    This work is an extension of Monte Carlo simulation based studies in tagging boosted, hadronically decaying W bosons at a center of mass energy of s = 13 TeV. Two pre-processing techniques used with jet images, translation and rotation, are first examined. The generated jet images for W signal jets and QCD background jets are then rescaled and weighted with five different substructure variables for visual comparison.

  8. Detection of Lensing Substructure Using ALMA Observations of the Dusty Galaxy SDP.81

    Science.gov (United States)

    Hezaveh, Yashar D.; Dalal, Neal; Marrone, Daniel P.; Mao, Yao-Yuan; Morningstar, Warren; Wen, Di; Blandford, Roger D.; Carlstrom, John E.; Fassnacht, Christopher D.; Holder, Gilbert P.; Kemball, Athol; Marshall, Philip J.; Murray, Norman; Perreault Levasseur, Laurence; Vieira, Joaquin D.; Wechsler, Risa H.

    2016-05-01

    We study the abundance of substructure in the matter density near galaxies using ALMA Science Verification observations of the strong lensing system SDP.81. We present a method to measure the abundance of subhalos around galaxies using interferometric observations of gravitational lenses. Using simulated ALMA observations we explore the effects of various systematics, including antenna phase errors and source priors, and show how such errors may be measured or marginalized. We apply our formalism to ALMA observations of SDP.81. We find evidence for the presence of a M = 108.96±0.12 M ⊙ subhalo near one of the images, with a significance of 6.9σ in a joint fit to data from bands 6 and 7; the effect of the subhalo is also detected in both bands individually. We also derive constraints on the abundance of dark matter (DM) subhalos down to M ˜ 2 × 107 M ⊙, pushing down to the mass regime of the smallest detected satellites in the Local Group, where there are significant discrepancies between the observed population of luminous galaxies and predicted DM subhalos. We find hints of additional substructure, warranting further study using the full SDP.81 data set (including, for example, the spectroscopic imaging of the lensed carbon monoxide emission). We compare the results of this search to the predictions of ΛCDM halos, and find that given current uncertainties in the host halo properties of SDP.81, our measurements of substructure are consistent with theoretical expectations. Observations of larger samples of gravitational lenses with ALMA should be able to improve the constraints on the abundance of galactic substructure.

  9. Aligned Carbon Nanotube Reinforcement of Aerospace Carbon Fiber Composites: Substructural Strength Evaluation for Aerostructure Applications

    OpenAIRE

    Guzman de Villoria, Roberto; Ydrefors, L.; Hallander, P.; Ishiguro, Kyoko; Nordin, P.; Wardle, Brian L.

    2012-01-01

    Vertically aligned carbon nanotubes (VACNTs) are placed between all plies in an aerospace carbon fiber reinforced plastic laminate (unidirectional plies, [(0/90/±45)2]s) to reinforce the interlaminar region in the z-direction. Significant improvement in Mode I and II interlaminar toughness have been observed previously. In this work, several substructural in-plane strength tests relevant to aerostructures were undertaken: bolt/tension-bearing, open hole compression, and L-shape laminate be...

  10. AFM friction and adhesion mapping of the substructures of human hair cuticles

    Energy Technology Data Exchange (ETDEWEB)

    Smith, James R., E-mail: james.smith@port.ac.uk [School of Pharmacy and Biomedical Sciences, University of Portsmouth, St Michael' s Building, White Swan Road, Portsmouth, PO1 2DT (United Kingdom); Tsibouklis, John; Nevell, Thomas G. [School of Pharmacy and Biomedical Sciences, University of Portsmouth, St Michael' s Building, White Swan Road, Portsmouth, PO1 2DT (United Kingdom); Breakspear, Steven [School of Pharmacy and Biomedical Sciences, University of Portsmouth, St Michael' s Building, White Swan Road, Portsmouth, PO1 2DT (United Kingdom); Global R and D–Hair Beauty Laboratory, Kao Corporation, 2-1-3, Bunka Sumida-ku, Tokyo, 131-8501 (Japan)

    2013-11-15

    Using atomic force microscopy, values of the microscale friction coefficient, the tip (silicon nitride) - surface adhesion force and the corresponding adhesion energy, for the substructures that constitute the surface of human hair (European brown hair) have been determined from Amonton plots. The values, mapped for comparison with surface topography, corresponded qualitatively with the substructures’ plane surface characteristics. Localised maps and values of the frictional coefficient, extracted avoiding scale edge effects, are likely to inform the formulation of hair-care products and treatments.

  11. Substructuring preconditioners for an h-p domain decomposition method with interior penalty mortaring

    KAUST Repository

    Antonietti, P. F.

    2014-05-13

    We propose and study an iterative substructuring method for an h-p Nitsche-type discretization, following the original approach introduced in Bramble et al. Math. Comp. 47(175):103–134, (1986) for conforming methods. We prove quasi-optimality with respect to the mesh size and the polynomial degree for the proposed preconditioner. Numerical experiments assess the performance of the preconditioner and verify the theory. © 2014, Springer-Verlag Italia.

  12. [Relativity of commercial specification of Menthae Herba based on chemical analysis].

    Science.gov (United States)

    Ye, Dan; Zhao, Ming; Shao, Yang; Ouyang, Zhen; Peng, Hua-sheng; Han Bang-xing; Zhang, Wei-wan-qi; Gu, Xue-mei

    2015-01-01

    In order to compare the differences of 35 Menthae Herba samples collected on the market and at producing areas, the contents of six total terpenoids, the essential oil and chromatographic fingerprints were analyzed, which provided evidences for drawing up the commodity specifications and grading criteria of Menthae Herba. GC-MS method was used to analyze the chemical constituents of 35 different samples. The chromatographic fingerprints obtained by using GC were then evaluated by similarity analysis, hierarchical clustering analysis and principal component analysis. The relativity between the content of six terpenoids and the essential oil were studied. In this study, the chemical profiles of 35 samples from different producing areas had significant disparity. All samples collected in the report could be categorized into four chemical types, L-menthol, pulegone, carvone and L-menthone, but the chemical profiles had no relationship with the areas. The chromatographic fingerprints of the samples from different types were dissimilar, while the different producing areas were difficult to be separated. It was indicated that the content of volatile oil was positively correlated with the content of L-menthol and the sum of six total terpenoids. The content of the essential oil, L-menthol and the sum of six total terpenoids of Menthae Herba were considered as one of the commercial specifications and grading criteria. These results in the research could be helpful to draw up the commercial specification and grading criteria of Menthae Herba from a view of chemical information.

  13. A hybrid system identification methodology for wireless structural health monitoring systems based on dynamic substructuring

    Science.gov (United States)

    Dragos, Kosmas; Smarsly, Kay

    2016-04-01

    System identification has been employed in numerous structural health monitoring (SHM) applications. Traditional system identification methods usually rely on centralized processing of structural response data to extract information on structural parameters. However, in wireless SHM systems the centralized processing of structural response data introduces a significant communication bottleneck. Exploiting the merits of decentralization and on-board processing power of wireless SHM systems, many system identification methods have been successfully implemented in wireless sensor networks. While several system identification approaches for wireless SHM systems have been proposed, little attention has been paid to obtaining information on the physical parameters (e.g. stiffness, damping) of the monitored structure. This paper presents a hybrid system identification methodology suitable for wireless sensor networks based on the principles of component mode synthesis (dynamic substructuring). A numerical model of the monitored structure is embedded into the wireless sensor nodes in a distributed manner, i.e. the entire model is segmented into sub-models, each embedded into one sensor node corresponding to the substructure the sensor node is assigned to. The parameters of each sub-model are estimated by extracting local mode shapes and by applying the equations of the Craig-Bampton method on dynamic substructuring. The proposed methodology is validated in a laboratory test conducted on a four-story frame structure to demonstrate the ability of the methodology to yield accurate estimates of stiffness parameters. Finally, the test results are discussed and an outlook on future research directions is provided.

  14. Atomic force microscopic observation on substructure of pollen exine in Cedrus deodara and Metasequoia glyptostroboides

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The substructure of pollen exine in Cedrus deodara (Roxb.) Loud. and Metasequoia glyptostroboides Hu et Cheng has been examined with an atomic force microscope (AFM). The results indicate that the exine substructure units containing sporopollenin in two species are similar in shape, which are granular, but slightly different in size. In Cedrus the substructure unit of pollen exine appears to be 56-99 nm long and 42-74 nm wide, while in Metasequoia it appears to be 81-118 nm long and 43-98 nm wide. It has been observed that the subunits of pollen exine in Cedrus arranged tightly to form short-rod-like or spheroidal pollen exine units, several or more than ten of which formed an island-like structure. There are various spaces among these island-like structures which are interconnected to occupy the entire pollen exine. In Metasequoia, the subunits of pollen exine also arranged tightly with a distribution tendency of cluster of 3-10, however, no obvious boundary exists among these clusters. From our results, it is concluded that there is no tendency of helical arrangement for the subunits of pollen exine in Cedrus and Metasequoia, and the results support Southworth' view that subunits of pollen exine are granular shape in lattice structure.

  15. Calibration of TDR Test Probe for Measuring Moisture in the Body of the Railway Substructure and its Subgrade

    Directory of Open Access Journals (Sweden)

    Dobeš Peter

    2015-12-01

    Full Text Available In the introduction of the paper there is characterized a way of monitoring the moisture in the railway substructure in the experimental stand, which is a part of the experimental workplace of the Department of Railway Engineering and Track Management. A substantial part of the paper is devoted to the calibration of TDR test probe for selected rock materials as a basic prerequisite for the determination of the actual moisture in the body of the railway substructure and subgrade.

  16. Evaluation of C60 secondary ion mass spectrometry for the chemical analysis and imaging of fingerprints.

    Science.gov (United States)

    Sisco, Edward; Demoranville, Leonard T; Gillen, Greg

    2013-09-10

    The feasibility of using C60(+) cluster primary ion bombardment secondary ion mass spectrometry (C60(+) SIMS) for the analysis of the chemical composition of fingerprints is evaluated. It was found that C60(+) SIMS could be used to detect and image the spatial localization of a number of sebaceous and eccrine components in fingerprints. These analyses were also found to not be hindered by the use of common latent print powder development techniques. Finally, the ability to monitor the depth distribution of fingerprint constituents was found to be possible - a capability which has not been shown using other chemical imaging techniques. This paper illustrates a number of strengths and potential weaknesses of C60(+) SIMS as an additional or complimentary technique for the chemical analysis of fingerprints.

  17. Chemical analysis of bleach and hydroxide-based solutions after decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX).

    Science.gov (United States)

    Hopkins, F B; Gravett, M R; Self, A J; Wang, M; Chua, Hoe-Chee; Hoe-Chee, C; Lee, H S Nancy; Sim, N Lee Hoi; Jones, J T A; Timperley, C M; Riches, J R

    2014-08-01

    Detailed chemical analysis of solutions used to decontaminate chemical warfare agents can be used to support verification and forensic attribution. Decontamination solutions are amongst the most difficult matrices for chemical analysis because of their corrosive and potentially emulsion-based nature. Consequently, there are relatively few publications that report their detailed chemical analysis. This paper describes the application of modern analytical techniques to the analysis of decontamination solutions following decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX). We confirm the formation of N,N-diisopropylformamide and N,N-diisopropylamine following decontamination of VX with hypochlorite-based solution, whereas they were not detected in extracts of hydroxide-based decontamination solutions by nuclear magnetic resonance (NMR) spectroscopy or gas chromatography-mass spectrometry. We report the electron ionisation and chemical ionisation mass spectroscopic details, retention indices, and NMR spectra of N,N-diisopropylformamide and N,N-diisopropylamine, as well as analytical methods suitable for their analysis and identification in solvent extracts and decontamination residues.

  18. Recent Development in Optical Chemical Sensors Coupling with Flow Injection Analysis

    Directory of Open Access Journals (Sweden)

    Fuensanta Sánchez Rojas

    2006-10-01

    Full Text Available Optical techniques for chemical analysis are well established and sensors based on thesetechniques are now attracting considerable attention because of their importance in applications suchas environmental monitoring, biomedical sensing, and industrial process control. On the other hand,flow injection analysis (FIA is advisable for the rapid analysis of microliter volume samples and canbe interfaced directly to the chemical process. The FIA has become a widespread automatic analyticalmethod for more reasons; mainly due to the simplicity and low cost of the setups, their versatility, andease of assembling. In this paper, an overview of flow injection determinations by using opticalchemical sensors is provided, and instrumentation, sensor design, and applications are discussed. Thiswork summarizes the most relevant manuscripts from 1980 to date referred to analysis using opticalchemical sensors in FIA.

  19. SWOT analysis for safer carriage of bulk liquid chemicals in tankers.

    Science.gov (United States)

    Arslan, Ozcan; Er, Ismail Deha

    2008-06-15

    The application of strengths, weaknesses, opportunities and threats (SWOT) analysis to formulation of strategy concerned with the safe carriage of bulk liquid chemicals in maritime tankers was examined in this study. A qualitative investigation using SWOT analysis has been implemented successfully for ships that are designed to carry liquid chemicals in bulk. The originality of this study lies in the use of SWOT analysis as a management tool to formulate strategic action plans for ship management companies, ship masters and officers for the carriage of dangerous goods in bulk. With this transportation-based SWOT analysis, efforts were made to explore the ways and means of converting possible threats into opportunities, and changing weaknesses into strengths; and strategic plans of action were developed for safer tanker operation.

  20. Direct chemical analysis of frozen ice cores by UV-laser ablation ICPMS

    DEFF Research Database (Denmark)

    Müller, Wolfgang; Shelley, J. Michael G.; Rasmussen, Sune Olander

    2011-01-01

    Cryo-cell UV-LA-ICPMS is a new technique for direct chemical analysis of frozen ice cores at high spatial resolution (ice and reveals sea ice/dust records and annual layer signatures at unprecedented spatial/time resolution. Uniquely......, the location of cation impurities relative to grain boundaries in recrystallized ice can be assessed....

  1. Deconvolution-based resolution enhancement of chemical ice core records obtained by continuous flow analysis

    DEFF Research Database (Denmark)

    Rasmussen, Sune Olander; Andersen, Katrine K.; Johnsen, Sigfus Johann;

    2005-01-01

    Continuous flow analysis (CFA) has become a popular measuring technique for obtaining high-resolution chemical ice core records due to an attractive combination of measuring speed and resolution. However, when analyzing the deeper sections of ice cores or cores from low-accumulation areas, there ...

  2. Evaluation of correlation between chemical dosimetry and subharmonic spectrum analysis to examine the acoustic cavitation.

    Science.gov (United States)

    Hasanzadeh, Hadi; Mokhtari-Dizaji, Manijhe; Bathaie, S Zahra; Hassan, Zuhair M

    2010-06-01

    Currently several therapeutic applications of ultrasound in cancer treatment are under progress which uses cavitation phenomena to deliver their effects. There are several methods to evaluate cavitation activity such as chemical dosimetry and measurement of subharmonic signals. In this study, the cavitation activity induced by the ultrasound irradiation on exposure parameters has been measured by terephthalic acid chemical dosimetry and subharmonic analysis. Experiments were performed in the near 1 MHz fields in the progressive wave mode and effect of duty cycles changes with 2 W/cm(2) intensity (I(SATA)) and acoustic intensity changes in continuous mode on both fluorescence intensity and subharmonic intensity were measured. The dependence between fluorescence intensity of terephthalic acid chemical dosimetry and subharmonic intensity analysis were analyzed by Pearson correlation (p-value subharmonic intensity and the fluorescence intensity for continuous mode is higher than for pulsing mode (p-value subharmonic intensity and the fluorescence intensity with sonication intensity (p-value subharmonic intensity at different duty cycles (R=0.997, p-value subharmonic intensity (microW/cm(2)) significantly correlated with the fluorescence intensity (count) (R=0.901; psubharmonic intensity due to subharmonic spectrum analysis. It is concluded that there is dependence between terephthalic acid chemical dosimetry and subharmonic spectrum analysis to examine the acoustic cavitation activity.

  3. The Matthew effect in environmental science publication: A bibliometric analysis of chemical substances in journal articles

    DEFF Research Database (Denmark)

    Grandjean, Philippe; Eriksen, Mette Lindholm; Ellegaard, Ole

    2011-01-01

    Background While environmental research addresses scientific questions of possible societal relevance, it is unclear to what degree research focuses on environmental chemicals in need of documentation for risk assessment purposes. Methods In a bibliometric analysis, we used SciFinder to extract...

  4. Chemical analysis and quality control of Ginkgo biloba leaves, extracts, and phytopharmaceuticals

    NARCIS (Netherlands)

    Beek, van T.A.; Montoro, P.

    2009-01-01

    The chemical analysis and quality control of Ginkgo leaves, extracts, phytopharmaceuticals and some herbal supplements is comprehensively reviewed. The review is an update of a similar, earlier review in this journal [T.A. van Beek, J. Chromatogr. A 967 (2002) 21¿55]. Since 2001 over 3000 papers on

  5. Fertilizer/Chemical Sales and Service Worker. Ohio's Competency Analysis Profile.

    Science.gov (United States)

    Ohio State Univ., Columbus. Vocational Instructional Materials Lab.

    This Ohio Competency Analysis Profile (OCAP), derived from a modified Developing a Curriculum (DACUM) process, is a current comprehensive and verified employer competency program list for fertilizer/chemical sales and service workers. Each unit (with or without subunits) contains competencies and competency builders that identify the occupational,…

  6. On the graph and systems analysis of reversible chemical reaction networks with mass action kinetics

    NARCIS (Netherlands)

    Rao, Shodhan; Jayawardhana, Bayu; Schaft, Arjan van der

    2012-01-01

    Motivated by the recent progresses on the interplay between the graph theory and systems theory, we revisit the analysis of reversible chemical reaction networks described by mass action kinetics by reformulating it using the graph knowledge of the underlying networks. Based on this formulation, we

  7. Spectral analysis of the light scattered from a chemically relaxing fluid: A ternary mixture

    NARCIS (Netherlands)

    Carle, D.L.; Laidlaw, W.G.; Lekkerkerker, H.N.W.

    1974-01-01

    The spectral distribution of light scattered by a ternary fluid mixture containing two chemically reactive species and one nonreactive species is considered and a normal mode analysis is carried out for a range of k-values for which the pressure fluctuations are decoupled from those in entropy and c

  8. Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge.

    Science.gov (United States)

    Gaspar, Héléna A; Baskin, Igor I; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

    2015-01-26

    This paper is devoted to the analysis and visualization in 2-dimensional space of large data sets of millions of compounds using the incremental version of generative topographic mapping (iGTM). The iGTM algorithm implemented in the in-house ISIDA-GTM program was applied to a database of more than 2 million compounds combining data sets of 36 chemicals suppliers and the NCI collection, encoded either by MOE descriptors or by MACCS keys. Taking advantage of the probabilistic nature of GTM, several approaches to data analysis were proposed. The chemical space coverage was evaluated using the normalized Shannon entropy. Different views of the data (property landscapes) were obtained by mapping various physical and chemical properties (molecular weight, aqueous solubility, LogP, etc.) onto the iGTM map. The superposition of these views helped to identify the regions in the chemical space populated by compounds with desirable physicochemical profiles and the suppliers providing them. The data sets similarity in the latent space was assessed by applying several metrics (Euclidean distance, Tanimoto and Bhattacharyya coefficients) to data probability distributions based on cumulated responsibility vectors. As a complementary approach, data sets were compared by considering them as individual objects on a meta-GTM map, built on cumulated responsibility vectors or property landscapes produced with iGTM. We believe that the iGTM methodology described in this article represents a fast and reliable way to analyze and visualize large chemical databases.

  9. Trigermanides AEGe{sub 3} (AE = Ca, Sr, Ba). Chemical bonding and superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Castillo, Rodrigo; Schnelle, Walter; Baranov, Alexey I.; Burkhardt, Ulrich; Bobnar, Matej; Cardoso-Gil, Raul; Schwarz, Ulrich; Grin, Yuri [Max-Planck-Institut fuer Chemische Physik Fester Stoffe, Dresden (Germany)

    2016-08-01

    The crystal structures of the trigermanides AEGe{sub 3}(tI32) (AE = Ca, Sr, Ba; space group I4/mmm, for SrGe{sub 3}: a = 7.7873(1), c = 12.0622(3) Aa) comprise Ge{sub 2} dumbbells forming layered Ge substructures which enclose embedded AE atoms. The chemical bonding analysis by application of the electron localizability approach reveals a substantial charge transfer from the AE atoms to the germanium substructure. The bonding within the dumbbells is of the covalent two-center type. A detailed analysis of SrGe{sub 3} reveals that the interaction on the bond-opposite side of the Ge{sub 2} groups is not lone pair-like - as it would be expected from the Zintl-like interpretation of the crystal structure with anionic Ge layers separated by alkaline-earth cations - but multi-center strongly polar between the Ge{sub 2} dumbbells and the adjacent metal atoms. Similar atomic interactions are present in CaGe{sub 3} and BaGe{sub 3}. The variation of the alkaline-earth metal has a merely insignificant influence on the superconducting transition temperatures in the s,p-electron compounds AEGe{sub 3}.

  10. Measurement of Hadronic Event Shapes and Jet Substructure in Proton-Proton Collisions at 7.0 TeV Center-of-Mass Energy with the ATLAS Detector at the Large Hadron Collider

    CERN Document Server

    Miller, D W; Schwartzman, Ariel

    2011-01-01

    This thesis presents the first measurement of 6 hadronic event shapes in proton-proton collisions at a center-of-mass energy of $sqrt{s}=7$ TeV using the ATLAS detector at the Large Hadron Collider. Results are presented at the particle-level, permitting comparisons to multiple Monte Carlo event generator tools. Numerous tools and techniques that enable detailed analysis of the hadronic final state at high luminosity are described. The approaches presented utilize the dual strengths of the ATLAS calorimeter and tracking systems to provide high resolution and robust measurements of the hadronic jets that constitute both a background and a signal throughout ATLAS physics analyses. The study of the hadronic final state is then extended to jet substructure, where the energy flow and topology within individual jets is studied at the detector level and techniques for estimating systematic uncertainties for such measurements are commissioned in the first data. These first substructure measurements in ATLAS include t...

  11. Genetic population substructure in bison at Yellowstone National Park.

    Science.gov (United States)

    Halbert, Natalie D; Gogan, Peter J P; Hedrick, Philip W; Wahl, Jacquelyn M; Derr, James N

    2012-01-01

    The Yellowstone National Park bison herd is 1 of only 2 populations known to have continually persisted on their current landscape since pre-Columbian times. Over the last century, the census size of this herd has fluctuated from around 100 individuals to over 3000 animals. Previous studies involving radiotelemetry, tooth wear, and parturition timing provide evidence of at least 2 distinct groups of bison within Yellowstone National Park. To better understand the biology of Yellowstone bison, we investigated the potential for limited gene flow across this population using multilocus Bayesian clustering analysis. Two genetically distinct and clearly defined subpopulations were identified based on both genotypic diversity and allelic distributions. Genetic cluster assignments were highly correlated with sampling locations for a subgroup of live capture individuals. Furthermore, a comparison of the cluster assignments to the 2 principle winter cull sites revealed critical differences in migration patterns across years. The 2 Yellowstone subpopulations display levels of differentiation that are only slightly less than that between populations which have been geographically and reproductively isolated for over 40 years. The identification of cryptic population subdivision and genetic differentiation of this magnitude highlights the importance of this biological phenomenon in the management of wildlife species.

  12. Impact analysis of different chemical pre-treatments on colour of apple discs during drying process

    OpenAIRE

    D. Magdić; Lukinac, Jasmina; Jokić, Stela; Čačić-Kenjerić, F.; Bilić, M.; Velić, D.

    2009-01-01

    The main purpose of this study was to compare colour changes of chemically pre-treated dried apple discs. Changes were observed by chromameter in L*a*b* colour model by using Minolta chromameter CR-400 and by image analysis system in RGB colour model. Apple discs variety "Gold Rush" were pre-treated and dried in laboratory tray drier at drying temperature 70 °C and at airflow velocity of 1.5 ms-1. Different chemical pre-treatments were applied on apple discs (dipping in 0.5% ascorbic acid sol...

  13. Integrated label-free silicon nanowire sensor arrays for (bio)chemical analysis.

    Science.gov (United States)

    De, Arpita; van Nieuwkasteele, Jan; Carlen, Edwin T; van den Berg, Albert

    2013-06-07

    We present a label-free (bio)chemical analysis platform that uses all-electrical silicon nanowire sensor arrays integrated with a small volume microfluidic flow-cell for real-time (bio)chemical analysis and detection. The integrated sensing platform contains an automated multi-sample injection system that eliminates erroneous sensor responses from sample switching due to flow rate fluctuations and provides precise sample volumes down to 10 nl. Biochemical sensing is demonstrated with real-time 15-mer DNA-PNA (peptide nucleic acid) duplex hybridization measurements from different sample concentrations in a low ionic strength, and the equilibrium dissociation constant KD ≈ 140 nM has been extracted from the experimental data using the first order Langmuir binding model. Chemical sensing is demonstrated with pH measurements from different injected samples in flow that have sensitivities consistent with the gate-oxide materials. A differential sensor measurement configuration results in a 30× reduction in sensor drift. The integrated label-free analysis platform is suitable for a wide range of small volume chemical and biochemical analyses.

  14. Multivariate analysis of the chemical properties of the eroded brown soils

    Directory of Open Access Journals (Sweden)

    Juan Alejandro Villazón Gómez

    2017-01-01

    Full Text Available The work was carried out with the data obtained of 30 profiles of Brown soils classified according to the effect of erosion. With the objective of determining, by means of a multivariate analysis, the effect of the erosion on the chemicals properties of the Brown soils was carried out a Discriminant and Principals Components Analysis. It was evaluated the chemicals variables pH in water, pH in KCl, organic matter, calcium, magnesium, potassium, sodium and S, T and V values. The Multivariate Analysis allowed establishing that magnesium is the only chemical property that evidence contraposition with the other variables, due to the harmful effect that this base exerts on the soil aggregates, which can accelerate or stressing the action of the erosive processes in the Brown soils. In the Principals Components Analysis, then components represented by the influence of the soil reaction, the absorbing complex and magnesium accumulate 78.75 % of the variance. The Discriminant Analysis explains the 97.06 % of the total of the variation in the two first axes, with the 93.33 % of good classification, with all the groups conformed by the categories of erosion well told apart among themselves.

  15. Thermodynamic and chemical kinetic analysis of a 5 kw, compact steam reformer - PEMFC system

    Energy Technology Data Exchange (ETDEWEB)

    Acevedo, Luis Evelio Garcia; Oliveira, Amir Antonio Martins [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil). Dept. de Engenharia Mecanica], e-mail: evelio@labcet.ufsc.br, e-mail: amirol@emc.ufsc.br

    2006-07-01

    Here we present a thermodynamic and chemical kinetic analysis of the methane steam reforming for production of 5 kw of electrical power in a PEM fuel cell. The equilibrium analysis is based on the method of element potentials to find the state of minimum Gibbs free energy for the system and provides the equilibrium concentration of the reforming products. The objective of this analysis is to obtain the range of reforming temperature, pressure and steam-methane molar ratio that results in maximum hydrogen production subjected to low carbon monoxide production and negligible coke formation. The thermal analysis provides the heat transfer rates associated with the individual processes of steam production, gas-phase superheating and reforming necessary to produce 5 kw of electrical power in a PEM fuel cell and allows for the calculation of thermal efficiencies. Then, the chemical reaction pathways for hydrogen production in steam reforming are discussed and the available chemical, adsorption and equilibrium constants are analyzed in terms of thermodynamic consistency. This analysis provides the framework for the reactor sizing and for establishing the adequate operation conditions. (author)

  16. The challenges and limitations of chemical analysis of particulate pigments of very low solubility.

    Science.gov (United States)

    Olsen, Ole

    2015-01-01

    When performing a chemical analysis of colorants in tattoo products, specific degradation products as well as impurity patterns can be predicted. Mislabeling or false declarations can also be avoided using this test. It is notable that pigment identification in tattoo products may serve as a precursory technique to recognize the colorants contained in a patient's tattoo prior to laser removal therapy. In contrast to the analysis of banned pigments, positive identification of pigments will normally require few reference substances. Given the fact that tattoo pigments are nearly insoluble in water and many organic solvents, different chemical pigment analyses are outlined and evaluated. Related publications from the study of art are also mentioned. It is recommended that access to comprehensive pigment standards and spectroscopic databanks should be offered to laboratories dealing with tattoo product analysis in the future.

  17. Sampling and chemical analysis in environmental samples around Nuclear Power Plants and some environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Yong Woo; Han, Man Jung; Cho, Seong Won; Cho, Hong Jun; Oh, Hyeon Kyun; Lee, Jeong Min; Chang, Jae Sook [KORTIC, Taejon (Korea, Republic of)

    2002-12-15

    Twelve kinds of environmental samples such as soil, seawater, underground water, etc. around Nuclear Power Plants(NPPs) were collected. Tritium chemical analysis was tried for the samples of rain water, pine-needle, air, seawater, underground water, chinese cabbage, a grain of rice and milk sampled around NPPs, and surface seawater and rain water sampled over the country. Strontium in the soil that sere sampled at 60 point of district in Korea were analyzed. Tritium were sampled at 60 point of district in Korea were analyzed. Tritium were analyzed in 21 samples of surface seawater around the Korea peninsular that were supplied from KFRDI(National Fisheries Research and Development Institute). Sampling and chemical analysis environmental samples around Kori, Woolsung, Youngkwang, Wooljin Npps and Taeduk science town for tritium and strontium analysis was managed according to plans. Succeed to KINS after all samples were tried.

  18. Genetic substructure of Kuwaiti population reveals migration history.

    Directory of Open Access Journals (Sweden)

    Osama Alsmadi

    Full Text Available The State of Kuwait is characterized by settlers from Saudi Arabia, Iran, and other regions of the Arabian Peninsula. The settlements and subsequent admixtures have shaped the genetics of Kuwait. High prevalence of recessive disorders and metabolic syndromes (that increase risk of diabetes is seen in the peninsula. Understanding the genetic structure of its population will aid studies designed to decipher the underlying causes of these disorders. In this study, we analyzed 572,366 SNP markers from 273 Kuwaiti natives genotyped using the illumina HumanOmniExpress BeadChip. Model-based clustering identified three genetic subgroups with different levels of admixture. A high level of concordance (Mantel test, p=0.0001 for 9999 repeats was observed between the derived genetic clusters and the surname-based ancestries. Use of Human Genome Diversity Project (HGDP data to understand admixtures in each group reveals the following: the first group (Kuwait P is largely of West Asian ancestry, representing Persians with European admixture; the second group (Kuwait S is predominantly of city-dwelling Saudi Arabian tribe ancestry, and the third group (Kuwait B includes most of the tent-dwelling Bedouin surnames and is characterized by the presence of 17% African ancestry. Identity by Descent and Homozygosity analyses find Kuwait's population to be heterogeneous (placed between populations that have large amount of ROH and the ones with low ROH with Kuwait S as highly endogamous, and Kuwait B as diverse. Population differentiation FST estimates place Kuwait P near Asian populations, Kuwait S near Negev Bedouin tribes, and Kuwait B near the Mozabite population. FST distances between the groups are in the range of 0.005 to 0.008; distances of this magnitude are known to cause false positives in disease association studies. Results of analysis for genetic features such as linkage disequilibrium decay patterns conform to Kuwait's geographical location at the nexus

  19. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Hongying; Huang, Guangming, E-mail: gmhuang@ustc.edu.cn

    2015-03-31

    Graphical abstract: Direct and humidity independent mass spectrometry analysis of gas phase chemicals could be achieved via ambient proton transfer ionization, ion intensity was found to be stable with humidity ranged from ∼10% to ∼100%. - Highlights: • A humidity independent mass spectrometric method for gas phase samples analysis. • A universal and good sensitivity method. • The method can real time identify plant released raw chemicals. - Abstract: In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m{sup −3}, ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages.

  20. Do provisions to advance chemical facility safety also advance chemical facility security? An analysis of possible synergies

    DEFF Research Database (Denmark)

    Hedlund, Frank Huess

    2012-01-01

    endanger neighbouring populated areas. Second, facilities where high-risk chemicals are present could present opportunities for theft. The concern is that relatively small amounts of highly toxic chemicals could be taken to another location selected for higher impact. The Directive on European Critical......The European Commission has launched a study on the applicability of existing chemical industry safety provisions to enhancing security of chemical facilities covering the situation in 18 EU Member States. This paper reports some preliminary analytical findings regarding the extent to which...... exist at the mitigation level. At the strategic policy level, synergies are obvious. The security of chemical facilities is important. First, facilities with large inventories of toxic materials could be attractive targets for terrorists. The concern is sabotage causing an intentional release that could...

  1. The Matthew effect in environmental science publication: A bibliometric analysis of chemical substances in journal articles

    Directory of Open Access Journals (Sweden)

    Grandjean Philippe

    2011-11-01

    Full Text Available Abstract Background While environmental research addresses scientific questions of possible societal relevance, it is unclear to what degree research focuses on environmental chemicals in need of documentation for risk assessment purposes. Methods In a bibliometric analysis, we used SciFinder to extract Chemical Abstract Service (CAS numbers for chemicals addressed by publications in the 78 major environmental science journals during 2000-2009. The Web of Science was used to conduct title searches to determine long-term trends for prominent substances and substances considered in need of research attention. Results The 119,636 journal articles found had 760,056 CAS number links during 2000-2009. The top-20 environmental chemicals consisted of metals, (chlorinated biphenyls, polyaromatic hydrocarbons, benzene, and ethanol and contributed 12% toward the total number of links- Each of the top-20 substances was covered by 2,000-10,000 articles during the decade. The numbers for the 10-year period were similar to the total numbers of pre-2000 articles on the same chemicals. However, substances considered a high priority from a regulatory viewpoint, due to lack of documentation, showed very low publication rates. The persistence in the scientific literature of the top-20 chemicals was only weakly related to their publication in journals with a high impact factor, but some substances achieved high citation rates. Conclusions The persistence of some environmental chemicals in the scientific literature may be due to a 'Matthew' principle of maintaining prominence for the very reason of having been well researched. Such bias detracts from the societal needs for documentation on less well known environmental hazards, and it may also impact negatively on the potentials for innovation and discovery in research.

  2. Global nutritional profiling for mutant and chemical mode-of-action analysis in filamentous fungi.

    Science.gov (United States)

    Tanzer, Matthew M; Arst, Herbert N; Skalchunes, Amy R; Coffin, Marie; Darveaux, Blaise A; Heiniger, Ryan W; Shuster, Jeffrey R

    2003-12-01

    We describe a method for gene function discovery and chemical mode-of-action analysis via nutrient utilization using a high throughput Nutritional Profiling platform suitable for filamentous microorganisms. We have optimized the growth conditions for each fungal species to produce reproducible optical density growth measurements in microtiter plates. We validated the Nutritional Profiling platform using a nitrogen source utilization assay to analyze 21 Aspergillus nidulans strains with mutations in the master nitrogen regulatory gene, areA. Analysis of these data accurately reproduced expected results and provided new data to demonstrate that this platform is suitable for fine level phenotyping of filamentous fungi. Next, we analyzed the differential responses of two fungal species to a glutamine synthetase inhibitor, illustrating chemical mode-of-action analysis. Finally, a comparative phenotypic study was performed to characterize carbon catabolite repression in four fungal species using a carbon source utilization assay. The results demonstrate differentiation between two Aspergillus species and two diverse plant pathogens and provide a wealth of new data on fungal nutrient utilization. Thus, these assays can be used for gene function and chemical mode-of-action analysis at the whole organism level as well as interspecies comparisons in a variety of filamentous fungi. Additionally, because uniform distribution of growth within wells is maintained, comparisons between yeast and filamentous forms of a single organism can be performed.

  3. Letters from China: A History of the Origins of the Chemical Analysis of Ceramics.

    Science.gov (United States)

    Pollard, A M

    2015-02-01

    This paper is an attempt to document the early history of the quantitative chemical analysis of ceramic materials in Europe, with a specific interest in the analysis of archaeological ceramics. This inevitably leads to a study of the attempts made in Europe to imitate the miraculous material--porcelain--imported from China from the fourteenth century onwards. It is clear that before the end of the eighteenth century progress was made in this endeavor by systematic but essentially trial-and-error firing of various raw materials, culminating in the successful production of European porcelain by Böttger and von Tschirnhaus in 1709. Shortly after this, letters describing the Chinese manufacture of porcelain, and, more importantly, samples of raw and fired material, began to arrive in Europe from French Jesuit missionaries, which were subjected to intense study. Following the perfection of gravimetric methods of chemical analysis in the late eighteenth century, these Chinese samples, and samples of porcelain from various European factories, were regularly analysed, particularly by Brongniart at Sèvres. Similar work was carried out on English porcelain by Simeon Shaw and Sir Arthur Church. The origins of the chemical analysis of archaeological ceramics are still somewhat obscure, but must date to the late eighteenth or early nineteenth centuries, by the likes of Vauquelin and Chaptal.

  4. USE OF AMAZONIAN SPECIES FOR AGING DISTILLED BEVERAGES: PHYSICAL AND CHEMICAL WOOD ANALYSIS

    Directory of Open Access Journals (Sweden)

    Jonnys Paz Castro

    2015-06-01

    Full Text Available The process of storing liquor in wooden barrels is a practice that aims to improve the sensory characteristics, such as color, aroma and flavor, of the beverage. The quality of the liquor stored in these barrels depends on wood characteristics such as density, permeability, chemical composition, anatomy, besides the wood heat treatment used to fabricate the barrels. Brazil has a great diversity of forests, mainly in the north, in the Amazon. This region is home to thousands of tree species, but is limited to the use of only a few native species to store liquors. The objective of this study was to determine some of the physical and chemical characteristics for four Amazon wood species. The results obtained in this study will be compared with others from woods that are traditionally used for liquor storage. The species studied were angelim-pedra (Hymenolobium petraeum Ducke cumarurana (Dipteryx polyphylla (Huber Ducke, jatobá (Hymenaea courbaril L. and louro-vermelho (Nectandra rubra (Mez CK Allen. The trees were collected from Precious Woods Amazon Company forest management area, in Silves, Amazonas. Analyzes such as: concentration of extractives, lignin amount, percentage of minerals (ash and tannin content, density, elemental analysis (CHNS-O and thermal analysis were done. It was observed that the chemical composition (lignin, holocellulose and elemental analysis (percentage of C, H, N and O of the woods have significant differences. The jatobá wood presented higher tannin content, and in the thermal analysis, was that which had the lowest mass loss.

  5. A multimedia environmental model of chemical distribution: fate, transport, and uncertainty analysis.

    Science.gov (United States)

    Luo, Yuzhou; Yang, Xiusheng

    2007-01-01

    This paper presented a framework for analysis of chemical concentration in the environment and evaluation of variance propagation within the model. This framework was illustrated through a case study of selected organic compounds of benzo[alpha]pyrene (BAP) and hexachlorobenzene (HCB) in the Great Lakes region. A multimedia environmental fate model was applied to perform stochastic simulations of chemical concentrations in various media. Both uncertainty in chemical properties and variability in hydrometeorological parameters were included in the Monte Carlo simulation, resulting in a distribution of concentrations in each medium. Parameters of compartmental dimensions, densities, emissions, and background concentrations were assumed to be constant in this study. The predicted concentrations in air, surface water and sediment were compared to reported data for validation purpose. Based on rank correlations, a sensitivity analysis was conducted to determine the influence of individual input parameters on the output variance for concentration in each environmental medium and for the basin-wide total mass inventory. Results of model validation indicated that the model predictions were in reasonable agreement with spatial distribution patterns, among the five lake basins, of reported data in the literature. For the chemical and environmental parameters given in this study, parameters associated to air-ground partitioning (such as moisture in surface soil, vapor pressure, and deposition velocity) and chemical distribution in soil solid (such as organic carbon partition coefficient and organic carbon content in root-zone soil) were targeted to reduce the uncertainty in basin-wide mass inventory. This results of sensitivity analysis in this study also indicated that the model sensitivity to an input parameter might be affected by the magnitudes of input parameters defined by the parameter settings in the simulation scenario. Therefore, uncertainty and sensitivity analyses

  6. Chemical and Physical Indicators in Drinking Water and Water Sources of Boroujerd Using Principal Components Analysis

    Directory of Open Access Journals (Sweden)

    Darabi , M. (MSC

    2014-05-01

    Full Text Available Background and Objective: Quality control of drinking water is important for maintaining health and safety of consumers, and the first step is to study the water quality variables. This study aimed to evaluate the chemical and physical indicators, water quality variables and qualitative classification of drinking water stations and water sources in Boroujerd. Material and Methods: This descriptive-cross sectional study was conducted on 70 samples of drinking water and 10 samples from sources in 2011-2012. Nine Water quality variables were measured and coded using STATISTICA10 Software. Principal component analysis (PCA was performed for qualitative classification of water samples and determination of water quality variables. Results: Based on PCA, chemical variables such as fluoride, nitrate, total hardness and iron, and physical variables such as pH and TDS were paramount importance to water quality. According to T-test, the average concentration of fluoride and iron, and the turbidity in all samples were significantly less than the standard. But other variables were up to standard. Conclusion: For the large water quality data, the use of PCA to identify the main qualitative variables and to classify physical and chemical variables can be used as an effective way in water quality management. Keywords: Physical and Chemical Indicators, Drinking Water and Sources, Boroujerd, Principal Component Analysis

  7. Phthalic Acid Chemical Probes Synthesized for Protein-Protein Interaction Analysis

    Directory of Open Access Journals (Sweden)

    Chin-Jen Wu

    2013-06-01

    Full Text Available Plasticizers are additives that are used to increase the flexibility of plastic during manufacturing. However, in injection molding processes, plasticizers cannot be generated with monomers because they can peel off from the plastics into the surrounding environment, water, or food, or become attached to skin. Among the various plasticizers that are used, 1,2-benzenedicarboxylic acid (phthalic acid is a typical precursor to generate phthalates. In addition, phthalic acid is a metabolite of diethylhexyl phthalate (DEHP. According to Gene_Ontology gene/protein database, phthalates can cause genital diseases, cardiotoxicity, hepatotoxicity, nephrotoxicity, etc. In this study, a silanized linker (3-aminopropyl triethoxyslane, APTES was deposited on silicon dioxides (SiO2 particles and phthalate chemical probes were manufactured from phthalic acid and APTES–SiO2. These probes could be used for detecting proteins that targeted phthalic acid and for protein-protein interactions. The phthalic acid chemical probes we produced were incubated with epithelioid cell lysates of normal rat kidney (NRK-52E cells to detect the interactions between phthalic acid and NRK-52E extracted proteins. These chemical probes interacted with a number of chaperones such as protein disulfide-isomerase A6, heat shock proteins, and Serpin H1. Ingenuity Pathways Analysis (IPA software showed that these chemical probes were a practical technique for protein-protein interaction analysis.

  8. Analysis of changes in the chemical composition of the blast furnace coke at high temperatures

    Directory of Open Access Journals (Sweden)

    A. Konstanciak

    2012-12-01

    Full Text Available Purpose: The main purpose of this paper was to analyze the behavior of coke in the blast furnace. The analysis of changes in chemical composition of coke due to impact of inert gas and air at different temperatures was made. The impact of the application of the thermoabrasion coefficient on the porosity of coke was also analyzed.Design/methodology/approach: By applying the Computer Thermochemical Database of the TERMO system (REAKTOR1 and REAKTOR3 three groups of substances can be distinguished. The chemical composition of blast furnace coke and the results of calculations of changes of chemical composition of coke heat treated under certain conditions were compared. The structural studies of these materials were presented.Findings: The results of the analysis of ash produced from one of Polish cokes was taken for consideration. This is not the average composition of Polish coke ashes, nevertheless it is representative of most commonly occurring chemical compositions.Practical implications: Thanks to the thermochemical calculations it is possible to predict ash composition after the treatment in a blast furnace. Those information was crucial and had an actual impact on determining the coke quality.Originality/value: Presentation of the analytical methods which, according to author, can be very useful to evaluate and identify the heat treatment for blast furnaces cokes. The research pursued represents part of a larger project carried out within the framework of Department Extraction and Recycling of Metals, Czestochowa University of Technology.

  9. Standardization of Cassia spectabilis with Respect to Authenticity, Assay and Chemical Constituent Analysis

    Directory of Open Access Journals (Sweden)

    Angeline Torey

    2010-05-01

    Full Text Available Quality control standardizations of the various medicinal plants used in traditional medicine is becoming more important today in view of the commercialization of formulations based on these plants. An attempt at standardization of Cassia spectabilis leaf has been carried out with respect to authenticity, assay and chemical constituent analysis. The authentication involved many parameters, including gross morphology, microscopy of the leaves and functional group analysis by Fourier Transform Infrared (FTIR spectroscopy. The assay part of standardization involved determination of the minimum inhibitory concentration (MIC of the extract which could help assess the chemical effects and establish curative values. The MIC of the C. spectabilis leaf extracts was investigated using the Broth Dilution Method. The extracts showed a MIC value of 6.25 mg/mL, independent of the extraction time. The chemical constituent aspect of standardization involves quantification of the main chemical components in C. spectabilis. The GCMS method used for quantification of 2,4-(1H,3H-pyrimidinedione in the extract was rapid, accurate, precise, linear (R2 = 0.8685, rugged and robust. Hence this method was suitable for quantification of this component in C. spectabilis. The standardization of C. spectabilis is needed to facilitate marketing of medicinal plants, with a view to promoting the export of valuable Malaysian Traditional Medicinal plants such as C. spectabilis.

  10. Analysis of pharmaceutical pellets: An approach using near-infrared chemical imaging

    Energy Technology Data Exchange (ETDEWEB)

    Sabin, Guilherme P.; Breitkreitz, Marcia C.; Souza, Andre M. de [Institute of Chemistry, University of Campinas, P.O. Box 6154, 13084-971 Campinas, SP (Brazil); Fonseca, Patricia da; Calefe, Lupercio; Moffa, Mario [Zelus Servicos para Industria Farmaceutica Ltda., Av. Professor Lineu Prestes n. 2242, Sao Paulo, SP (Brazil); Poppi, Ronei J., E-mail: ronei@iqm.unicamp.br [Institute of Chemistry, University of Campinas, P.O. Box 6154, 13084-971 Campinas, SP (Brazil)

    2011-11-07

    Highlights: {yields} Near-Infrared Chemical Imaging was used for pellets analysis. {yields} Distribution of the components throughout the coatings layers and core of the pellets was estimated. {yields} Classical Least Squares (CLS) was used for calculation of the concentration maps. - Abstract: Pharmaceutical pellets are spherical or nearly spherical multi-unit dosage forms designed to optimize pharmacokinetics and pharmacodynamics features of drug release. The distribution of the pharmaceutical ingredients in the layers and core is a very important parameter for appropriate drug release, especially for pellets manufactured by the process of layer gain. Physical aspects of the sample are normally evaluated by Scanning Electron Microscopy (SEM), but it is in many cases unsuitable to provide conclusive chemical information about the distribution of the pharmaceutical ingredients in both layers and core. On the other hand, methods based on spectroscopic imaging can be very promising for this purpose. In this work, a Near-Infrared Chemical Imaging (NIR-CI) method was developed and applied to the analysis of diclophenac sodium pellets. Since all the compounds present in the sample were known in advance, Classical Least Squares (CLS) was used for calculations. The results have shown that the method was capable of providing chemical information about the distribution of the active ingredient and excipients in the core and coating layers and therefore can be complementary to SEM for the pharmaceutical development of pellets.

  11. Superposed epoch study of ICME sub-structures near Earth and their effects on galactic cosmic rays

    CERN Document Server

    Masías-Meza, J J; Démoulin, P; Rodriguez, L; Janvier, M

    2016-01-01

    Interplanetary coronal mass ejections (ICMEs) are the interplanetary manifestations of solar eruptions. The overtaken solar wind forms a sheath of compressed plasma at the front of ICMEs. Magnetic clouds (MCs) are a subset of ICMEs with specific properties (e.g. the presence of a flux rope). When ICMEs pass near Earth, ground observations indicate that the flux of galactic cosmic rays (GCRs) decreases. The main aims of this paper are to find: common plasma and magnetic properties of different ICME sub-structures, and which ICME properties affect the flux of GCRs near Earth. We use a superposed epoch method applied to a large set of ICMEs observed \\insitu\\ by the spacecraft ACE, between 1998 and 2006. We also apply a superposed epoch analysis on GCRs time series observed with the McMurdo neutron monitors. We find that slow MCs at 1 AU have on average more massive sheaths. We conclude that it is because they are more effectively slowed down by drag during their travel from the Sun. Slow MCs also have a more sym...

  12. Chemical analysis of fish bile extracts for monitoring endocrine disrupting chemical exposure in water: Bisphenol A, alkylphenols, and norethindrone.

    Science.gov (United States)

    Wu, Minghong; Pan, Chenyuan; Yang, Ming; Xu, Bentuo; Lei, Xiangjie; Ma, Jing; Cai, Ling; Chen, Jingsi

    2016-01-01

    The present study determined concentrations of estrogenic bisphenol A (BPA), nonylphenol, octylphenol (4-tert-octylphenol), butylphenol (4-tert-butylphenol), and progestogenic norethindrone by liquid chromatography-tandem mass spectrometry in bile extracts from field fish from the Xin'an River and market fish in Shanghai, China. Compared with the field fish, endocrine disrupting chemical (EDC) concentrations in market fish bile were at relatively high levels with high detectable rates. The average concentrations of BPA, nonylphenol, 4-tert-octylphenol, 4-tert-butylphenol, and norethindrone in field fish bile were 30.1 µg/L, 203 µg/L, 4.69 µg/L, 7.84 µg/L, and 0.514 µg/L, respectively; in market fish bile they were 240 µg/L, 528 µg/L, 76.5 µg/L, 12.8 µg/L, and 5.26 µg/L, respectively; and in the surface water of Xin'an River they were 38.8 ng/L, 7.91 ng/L, 1.98 ng/L, 2.66 ng/L, and 0.116 ng/L, respectively. The average of total estrogenic activity of river water was 3.32 ng/L estradiol equivalents. High bioconcentration factors (BCFs) were discovered for all 5 EDCs (≧998-fold) in field fish bile. Furthermore, the authors analyzed the BCF value of BPA in fish bile after 30-d exposure to environmentally relevant concentrations of BPA in the laboratory, and the analysis revealed that BCF in fish bile (BCF(Fish bile)) changed in an inverse concentration-dependent manner based on the log10-transformed BPA concentration in water. Strikingly, the data from the field study were well fitted within this trend. The data together suggested that analysis of fish bile extracts could be an efficient method for assessing waterborne EDCs exposure for aquatic biota.

  13. Laser Induced Breakdown Spectroscopy applications to meteorites: Chemical analysis and composition profiles

    Science.gov (United States)

    Dell'Aglio, M.; De Giacomo, A.; Gaudiuso, R.; Pascale, O. De; Senesi, G. S.; Longo, S.

    2010-12-01

    A fast procedure for chemical analysis of different meteorites is presented, based on LIBS (Laser Induced Breakdown Spectroscopy). The technique is applied to several test cases (Dhofar 019, Dhofar 461, Sahara 98222, Toluca, Sikhote Alin and Campo del Cielo) and can be useful for rapid meteorite identification providing geologists with specific chemical information for meteorite classification. Concentration profiles of Fe, Ni and Co are simultaneously detected across the Widmanstätten structure of the iron meteorite Toluca with a view to determining cooling rates. The LIBS analysis of meteorites is also used as a laboratory test for analogous studies on the respective parent bodies (Mars, asteroids) in space exploration missions where one clear advantage of the proposed technique is that no direct contact with the sample is required.

  14. HRI catalytic two-stage liquefaction (CTSL) process materials: chemical analysis and biological testing

    Energy Technology Data Exchange (ETDEWEB)

    Wright, C.W.; Later, D.W.

    1985-12-01

    This report presents data from the chemical analysis and biological testing of coal liquefaction materials obtained from the Hydrocarbon Research, Incorporated (HRI) catalytic two-stage liquefaction (CTSL) process. Materials from both an experimental run and a 25-day demonstration run were analyzed. Chemical methods of analysis included adsorption column chromatography, high-resolution gas chromatography, gas chromatography/mass spectrometry, low-voltage probe-inlet mass spectrometry, and proton nuclear magnetic resonance spectroscopy. The biological activity was evaluated using the standard microbial mutagenicity assay and an initiation/promotion assay for mouse-skin tumorigenicity. Where applicable, the results obtained from the analyses of the CTSL materials have been compared to those obtained from the integrated and nonintegrated two-stage coal liquefaction processes. 18 refs., 26 figs., 22 tabs.

  15. Metal-assisted chemical etching of CIGS thin films for grain size analysis

    Energy Technology Data Exchange (ETDEWEB)

    Xue, Chaowei [Research and Development Centre, Hanergy Thin Film Power Group Limited, Chengdu (China); Loi, Huu-Ha; Duong, Anh; Parker, Magdalena [Failure Analysis Department, MiaSole Hi-Tech Corp., Santa Clara, CA (United States)

    2016-09-15

    Grain size of the CIGS absorber is an important monitoring factor in the CIGS solar cell manufacturing. Electron backscatter diffraction (EBSD) analysis is commonly used to perform CIGS grain size analysis in the scanning electron microscope (SEM). Although direct quantification on SEM image using the average grain intercept (AGI) method is faster and simpler than EBSD, it is hardly applicable on CIGS thin films. The challenge is that, not like polycrystalline silicon, to define grain boundaries by selective chemical etching is not easily realizable for the multi-component CIGS alloy. In this Letter, we present direct quantification of CIGS thin film grain size using the AGI method by developing metal-assisted wet chemical etching process to define CIGS grain boundaries. The calculated value is similar to EBSD result. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Cold Dark Matter Substructure and Galactic Disks I: Morphological Signatures of Hierarchical SatelliteAccretion

    Energy Technology Data Exchange (ETDEWEB)

    Kazantzidis, Stelios; Bullock, James S.; Zentner, Andrew R.; Kravtsov, Andrey V.; Moustakas, Leonidas A.

    2007-12-03

    We conduct a series of high-resolution, fully self-consistent dissipation less N-body simulations to investigate the cumulative effect of substructure mergers onto thin disk galaxies in the context of the {Lambda}CDM paradigm of structure formation. Our simulation campaign is based on a hybrid approach combining cosmological simulations and controlled numerical experiments. Substructure mass functions, orbital distributions, internal structures, and accretion times are culled directly from cosmological simulations of galaxy-sized cold dark matter (CDM) halos. We demonstrate that accretions of massive subhalos onto the central regions of host halos, where the galactic disk resides, since z {approx} 1 should be common occurrences. In contrast, extremely few satellites in present-day CDM halos are likely to have a significant impact on the disk structure. This is due to the fact that massive subhalos with small orbital pericenters that are most capable of strongly perturbing the disk become either tidally disrupted or suffer substantial mass loss prior to z = 0. One host halo merger history is subsequently used to seed controlled N-body experiments of repeated satellite impacts on an initially-thin Milky Way-type disk galaxy. These simulations track the effects of six dark matter substructures, with initial masses in the range {approx} (0.7-2) x 10{sup 10} M{sub {circle_dot}} ({approx} 20-60% of the disk mass), crossing the disk in the past {approx} 8 Gyr. We show that these accretion events produce several distinctive observational signatures in the stellar disk including: a long-lived, low-surface brightness, ring-like feature in the outskirts; a significant flare; a central bar; and faint filamentary structures that (spuriously) resemble tidal streams in configuration space. The final distribution of disk stars exhibits a complex vertical structure that is well-described by a standard 'thin-thick' disk decomposition, where the 'thick' disk

  17. Assessment of dynamic substructuring of a wind turbine foundation applicable for aeroelastic simulations

    DEFF Research Database (Denmark)

    Damgaard, Mads; Andersen, Lars Vabbersgaard; Ibsen, Lars Bo

    2015-01-01

    Dynamic vibration response of a wind turbine structure is examined. Emphasis is put on the dynamic interaction between the foundation and the subsoil, since stiffness and energy dissipation of the substructure affect the dynamic response of the wind turbine. Based on a standard lumped......-parameter model fitted to the frequency response of the ground, a surface foundation is implemented into the aeroelastic code FLEX5. In case of a horizontal stratum overlaying a homogeneous half-space and within the low frequency range, analyses show that a standard lumped-parametermodel provides an accurate...

  18. An early neutrino experiment: how we missed quark substructure in 1963

    Science.gov (United States)

    Perkins, D. H.

    2013-12-01

    Some 50 years after the event seems to be an appropriate time at which to take a long look back at one of the early neutrino experiments at CERN. This report is principally about a failure in a 1963 bubble chamber experiment to detect substructure in the nucleon, a year before the quark concept was invented by Gell-Mann and Zweig, and some five years before the existence of quarks as real dynamical objects was definitely established in deep inelastic electron scattering experiments at Stanford.

  19. Decomposition analysis of green chemical technology inventions from 1971 to 2010 in Japan

    OpenAIRE

    Fujii, Hidemichi; Shirakawa, Seiji

    2015-01-01

    Green chemistry plays an important role in achieving sustainable development. This study examines the determinant factors for technology invention related to green chemistry in Japan using patent application data and a decomposition analysis framework. Our main findings are that the number of green chemical technologies applied to production processes have increased because of the scale-up of overall research activities and increased priority. Additionally, the number of patent applications f...

  20. Chemical composition analysis of raw materials used in iron ore sinter plants in Poland

    Directory of Open Access Journals (Sweden)

    D. Burchart-Korol

    2014-07-01

    Full Text Available The main goal of the study was the analysis of the chemical compositions of raw materials used in iron ore sinter plants in Poland. The iron ore sintering process is the largest source of emissions of dust and gas pollution in the iron and steel industry. Hematite ores, magnetite concentrates, admixtures (dolomite, limestone and burnt lime, fuels (coke breeze, anthracite and by-products are used in Poland to produce the sinter mixture.

  1. Principles of ESCA and applications to metal corrosion, coating and lubrication. [Electron Spectroscopy for Chemical Analysis

    Science.gov (United States)

    Wheeler, D. R.

    1978-01-01

    The principles of ESCA (electron spectroscopy for chemical analysis) are described by comparison with other spectroscopic techniques. The advantages and disadvantages of ESCA as compared to other surface sensitive analytical techniques are evaluated. The use of ESCA is illustrated by actual applications to oxidation of steel and Rene 41, the chemistry of lubricant additives on steel, and the composition of sputter deposited hard coatings. Finally, a bibliography of material that is useful for further study of ESCA is presented and commented upon.

  2. Coupling passive sampling with in vitro bioassays and chemical analysis to understand combined effects of bioaccumulative chemicals in blood of marine turtles.

    Science.gov (United States)

    Jin, Ling; Escher, Beate I; Limpus, Colin J; Gaus, Caroline

    2015-11-01

    Conventional target analysis of biological samples such as blood limits our ability to understand mixture effects of chemicals. This study aimed to establish a rapid passive sampling technique using the polymer polydimethylsiloxane (PDMS) for exhaustive extraction of mixtures of neutral organic chemicals accumulated in blood of green turtles, in preparation for screening in in vitro bioassays. We designed a PDMS-blood partitioning system based on the partition coefficients of chemicals between PDMS and major blood components. The sampling kinetics of hydrophobic test chemicals (polychlorinated dibenzo-p-dioxins; PCDDs) from blood into PDMS were reasonably fast reaching steady state in turtles with known concentrations of PCDD/Fs, dioxin-like PCBs, PBDEs and organochlorine pesticides. The quantified chemicals explained most of the dioxin-like activity (69-98%), but less than 0.4% of the oxidative stress response. The results demonstrate the applicability of PDMS-based passive sampling to extract bioaccumulative chemicals from blood as well as the value of in vitro bioassays for capturing the combined effects of unknown and known chemicals.

  3. Enhancing the chemical mixture methodology in emergency preparedness and consequence assessment analysis.

    Science.gov (United States)

    Yu, Xiao-Ying; Glantz, Clifford S; Yao, Juan; He, Hua; Petrocchi, Achille J; Craig, Douglas K; Ciolek, John T; Booth, Alexander E

    2013-11-16

    Emergency preparedness personnel at U.S. Department of Energy (DOE) facilities use the chemical mixture methodology (CMM) to estimate the potential health impacts to workers and the public from the unintended airborne release of chemical mixtures. The CMM uses a Hazard Index (HI) for each chemical in a mixture to compare a chemical's concentration at a receptor location to an appropriate concentration limit for that chemical. This limit is typically based on Protection Action Criteria (PAC) values developed and published by the DOE. As a first cut, the CMM sums the HIs for all the chemicals in a mixture to conservatively estimate their combined health impact. A cumulative HI>1.0 represents a concentration exceeding the concentration limit and indicates the potential for adverse health effects. Next, Health Code Numbers (HCNs) are used to identify the target organ systems that may be impacted by exposure to each chemical in a mixture. The sum of the HIs for the maximally impacted target organ system is used to provide a refined, though still conservative, estimate of the potential for adverse health effects from exposure to the chemical mixture. This paper explores approaches to enhance the effectiveness of the CMM by using HCN weighting factors. A series of 24 case studies have been defined to evaluate both the existing CMM and three new approaches for improving the CMM. The first approach uses a set of HCN weighting factors that are applied based on the priority ranking of the HCNs for each chemical. The second approach uses weighting factors based on the priority rankings of the HCNs established for a given type of concentration limit. The third approach uses weighting factors that are based on the exposure route used to derive PAC values and a priority ranking of the HCNs (the same ranking as used in the second approach). Initial testing indicates that applying weighting factors increases the effectiveness of the CMM in general, though care must be taken to

  4. Chemical abundance analysis of symbiotic giants. RW Hya, SY Mus, BX Mon, and AE Ara

    CERN Document Server

    Galan, Cezary; Hinkle, Kenneth H; Schmidt, Miroslaw R; Gromadzki, Mariusz

    2014-01-01

    Symbiotic stars are the long period, binary systems of strongly interacting stars at the final stages of evolution which can be useful tool to understand the chemical evolution of the Galaxy and the formation of stellar populations. Knowledge of the chemical composition of the symbiotic giants is essential to advancing our understanding of these issues but unfortunately reliably determinations exist only in a few cases. We perform a program for detailed chemical composition analysis in over 30 symbiotic giants, based on the high resolution, near-IR spectra, obtained with Phoenix/Gemini South spectrometer. The methods of the standard LTE analysis is used to obtain photospheric abundances of CNO and elements around iron peak. Here we present results obtained for four objects: RW Hya, SY Mus, BX Mon, and AE Ara. Our analysis revealed a significantly sub-solar metallicity (Me/H ~ -0.75) for RW Hya, a slightly sub-solar metallicities (Me/H ~ 0.2-0.3) in BX Mon and AE Ara, and a near-solar metallicity in SY Mus. 12...

  5. Meta-analysis of mass balances examining chemical fate during wastewater treatment.

    Science.gov (United States)

    Heidler, Jochen; Halden, Rolf U

    2008-09-01

    Mass balances are an instructive means for investigating the fate of chemicals during wastewater treatment. In addition to the aqueous-phase removal efficiency (phi), they can inform on chemical partitioning, transformation, and persistence, as well as on the chemical loading to streams and soils receiving, respectively, treated effluent and digested sewage sludge (biosolids). Release rates computed on a per-capita basis can serve to extrapolate findings to a larger scale. This review examines over a dozen mass balances conducted for various organic wastewater contaminants, including prescription drugs, estrogens, fragrances, antimicrobials, and surfactants of differing sorption potential (hydrophobicity), here expressed as the 1-octanol-water partition coefficient (K(OW)) and the organic carbon normalized sorption coefficient (K(OC)). Major challengesto mass balances are the collection of representative samples and accurate quantification of chemicals in sludge. A meta-analysis of peer-reviewed data identified sorption potential as the principal determinant governing chemical persistence in biosolids. Occurrence data for organic wastewater compounds detected in digested sludge followed a simple nonlinear model that required only K(OW) or K(OC) as the input and yielded a correlation coefficient of 0.9 in both instances. The model predicted persistence in biosolids for the majority (> 50%) of the input load of organic wastewater compounds featuring a log10 K(OW) value of greater than 5.2 (log10 K(OC) > 4.4). In contrast, hydrophobicity had no or only limited value for estimating, respectively, phi and the overall persistence of a chemical during conventional wastewater treatment.

  6. Analysis of Chemical Constituents in Wuzi-Yanzong-Wan by UPLC-ESI-LTQ-Orbitrap-MS

    Directory of Open Access Journals (Sweden)

    Dixin Zou

    2015-12-01

    Full Text Available Wuzi-Yanzong-Wan (WZYZW, a classical traditional Chinese medicine (TCM prescription containing Fructus Lych, Semen Cuscutae (fried, Fructus Rubi, Fructus Schisandrae chinensis (steamed and Semen Plantaginis (fried with salt, is widely used to treat impotence, sterility, spermatorrhea, premature ejaculation, lumbago and post-micturation dribble. However, the chemical profile of WZYZW has not been established yet. In this work, a rapid and sensitive method for systematically screening and identifying the chemical constituents of WZYZW in both positive and negative ion modes using Ultra-Performance LC coupled with ESI-linear ion trap-Orbitrap tandem mass spectrometry (UPLC-ESI-LTQ-Orbitrap-MS has been developed. Based on the chromatographic and spectrometric data, and referring to the literature, we could tentatively identify 106 compounds, including organic acids, flavonoids, phenylpropanoids, alkaloids and terpenoids. Fourteen ingredients from Fructus Lych were identified, while 10 ingredients were from Semen Cuscutae (fried, 33 ingredients were from Fructus Rubi, 37 ingredients were from Fructus Schisandrae chinensis (steamed, and 20 ingredients were from Semen Plantaginis (fried with salt. The results may provide essential data for further quality control, pharmacological research and clinical evaluation of WZYZW. Furthermore, this study indicates the developed approach based on UPLC-ESI-LTQ-Orbitrap-MS is suitable for characterizing the chemical profiles of TCM prescriptions. This is the first report to provide a comprehensive analysis of the chemical constituents of WZYZW.

  7. Preparation and analysis of chemically gradient functional bioceramic coating formed by pulsed laser deposition.

    Science.gov (United States)

    Rajesh, P; Muraleedharan, C V; Sureshbabu, S; Komath, Manoj; Varma, Harikrishna

    2012-02-01

    Bioactive ceramic coatings based on calcium phosphates yield better functionality in the human body for a variety of metallic implant devices including orthopaedic and dental prostheses. In the present study chemically and hence functionally gradient bioceramic coating was obtained by pulsed laser deposition method. Calcium phosphate bioactive ceramic coatings based on hydroxyapatite (HA) and tricalcium phosphate (TCP) were deposited over titanium substrate to produce gradation in physico-chemical characteristics and in vitro dissolution behaviour. Sintered targets of HA and α-TCP were deposited in a multi target laser deposition system. The obtained deposits were characterized by X-ray diffraction, fourier transform infrared spectroscopy, scanning electron microscopy and energy dispersive X-ray analysis. Inductively coupled plasma spectroscopy was used to estimate the in vitro dissolution behaviour of coatings. The variation in mechanical property of the gradient layer was evaluated through scratch test and micro-indentation hardness. The bioactivity was examined in vitro with respect to the ability of HA layer to form on the surface as a result of contact with simulated body fluid. It could be inferred that chemically gradient functional bioceramic coating can be produced by laser deposition of multiple sintered targets with variable chemical composition.

  8. Relationship among wear-resistance of three-body abrasion,substructure and property in martensite steels

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The effects of subsurface hardness on wear-resistance of martensitic steel 20Cr, 40CrSi, 60Mn, T8 and T10 in three-body abrasion under static load was investigated. It shows that the characteristic ofthe subsurface hardness distribution and the abrasive wear resistanceis related to the substructure near the worn surface. The substructure of the tested martensite steel has an apparent relationship with thecarbon content and steels with moderate carbon content and hardness exhibit good resistance to abrasive wear. The competition of the work-hardening effect and the temper softening effect, which resulted from deformation and friction heat generating during abrasive wear is considered to be a main reason for the relation among wear-resistance, hardness and substructure. At the test conditions, the wear-resistance of 40CrSi is the best.

  9. Development of a High-fidelity Experimental Substructure Test Rig for Grid-scored Sandwich Panels in Wind Turbine Blades

    DEFF Research Database (Denmark)

    Laustsen, Steffen; Lund, Erik; Kühlmeier, L.;

    2014-01-01

    This paper outlines high-fidelity experimental substructure testing of sandwich panels which constitute the aerodynamic outer shell of modern wind turbine blades. A full-scale structural experimental and numerical characterisation of a composite wind turbine blade has been conducted. The developm...... of substructure tests for composite wind turbine blades. Furthermore, recommendations on the use of grid-scored sandwich structures in wind turbine blades are presented, which outline the sensitivity in terms of quasi-static strength to the established loading conditions.......This paper outlines high-fidelity experimental substructure testing of sandwich panels which constitute the aerodynamic outer shell of modern wind turbine blades. A full-scale structural experimental and numerical characterisation of a composite wind turbine blade has been conducted...

  10. How well can cold-dark-matter substructures account for the observed radio flux-ratio anomalies?

    CERN Document Server

    Xu, Dandan; Gao, Liang; Wang, Jie; Frenk, Carlos; Mao, Shude; Schneider, Peter; Springel, Volker

    2014-01-01

    Discrepancies between the observed and model-predicted radio flux ratios are seen in a number of quadruply-lensed quasars. The most favored interpretation of these anomalies is that CDM substructures present in lensing galaxies perturb the lens potentials and alter image magnifications and thus flux ratios. So far no consensus has emerged regarding whether or not the predicted CDM substructure abundance fully accounts for the lensing flux anomaly observations. Accurate modeling relies on a realistic lens sample in terms of both the lens environment and internal structures and substructures. In this paper we construct samples of generalised and specific lens potentials, to which we add (rescaled) subhalo populations from the galaxy-scale Aquarius and the cluster-scale Phoenix simulation suites. We further investigate the lensing effects from subhalos of masses several orders of magnitude below the simulation resolution limit. The resulting flux ratio distributions are compared to the currently best available s...

  11. Surface desorption atmospheric pressure chemical ionization mass spectrometry for direct ambient sample analysis without toxic chemical contamination.

    Science.gov (United States)

    Chen, Huanwen; Zheng, Jian; Zhang, Xie; Luo, Mingbiao; Wang, Zhichang; Qiao, Xiaolin

    2007-08-01

    Ambient mass spectrometry, pioneered with desorption electrospray ionization (DESI) technique, is of increasing interest in recent years. In this study, a corona discharge ionization source is adapted for direct surface desorption chemical ionization of compounds on various surfaces at atmospheric pressure. Ambient air, with about 60% relative humidity, is used as a reagent to generate primary ions such as H(3)O(+), which is then directed to impact the sample surface for desorption and ionization. Under experimental conditions, protonated or deprotonated molecules of analytes present on various samples are observed using positive or negative corona discharge. Fast detection of trace amounts of analytes present in pharmaceutical preparations, viz foods, skins and clothes has been demonstrated without any sample pretreatment. Taking the advantage of the gasless setup, powder samples such as amino acids and mixtures of pharmaceutical preparations are rapidly analyzed. Impurities such as sudan dyes in tomato sauce are detected semiquantitatively. Molecular markers (e.g. putrescine) for meat spoilage are successfully identified from an artificially spoiled fish sample. Chemical warfare agent stimulants, explosives and herbicides are directly detected from the skin samples and clothing exposed to these compounds. This provides a detection limit of sub-pg (S/N > or = 3) range in MS2. Metabolites and consumed chemicals such as glucose are detected successfully from human skins. Conclusively, surface desorption atmospheric pressure chemical ionization (DAPCI) mass spectrometry, without toxic chemical contamination, detects various compounds in complex matrices, showing promising applications for analyses of human related samples.

  12. Probing the evolution of the substructure frequency in galaxy clusters up to z~1

    CERN Document Server

    Weißmann, A; Chon, G

    2013-01-01

    Context. Galaxy clusters are the last and largest objects to form in the standard hierarchical structure formation scenario through merging of smaller systems. The substructure frequency in the past and present epoch provides excellent means for studying the underlying cosmological model. Aims. Using X-ray observations, we study the substructure frequency as a function of redshift by quantifying and comparing the fraction of dynamically young clusters at different redshifts up to z=1.08. We are especially interested in possible biases due to the inconsistent data quality of the low-z and high-z samples. Methods. Two well-studied morphology estimators, power ratio P3/P0 and center shift w, were used to quantify the dynamical state of 129 galaxy clusters, taking into account the different observational depth and noise levels of the observations. Results. Owing to the sensitivity of P3/P0 to Poisson noise, it is essential to use datasets with similar photon statistics when studying the P3/P0-z relation. We degra...

  13. Gamma-rays from dark matter annihilations strongly constrain the substructure in halos

    CERN Document Server

    Pinzke, Anders; Bergstrom, Lars

    2009-01-01

    Recently, it has been shown that electrons and positrons from dark matter (DM) annihilations provide an excellent fit to the Fermi, PAMELA, and HESS data. Using this DM model, which requires an enhancement of the annihilation cross section over its standard value to match the observations, we show that it immediately implies an observable level of gamma-ray emission for the Fermi telescope from nearby galaxy clusters such as Virgo and Fornax. We show that this DM model implies a peculiar feature from final state radiation that is a distinctive signature of DM. Using the EGRET upper limit on the gamma-ray emission from Virgo, we constrain the minimum mass of substructures within DM halos to be > 0.1 M_sol - five orders of magnitudes larger than the expectation for cold dark matter. This limits the cutoff scale in the linear matter power spectrum to k 10^4 M_sol: if the true substructure cutoff is much smaller than this, the DM interpretation of the Fermi/PAMELA/HESS data must be wrong. To address the problem ...

  14. Constraining dark matter sub-structure with the dynamics of astrophysical systems

    CERN Document Server

    Gonzalez-Morales, Alma X; Aguilar, Luis A

    2012-01-01

    The accuracy of the measurements of some astrophysical dynamical systems allows to constrain the existence of incredibly small gravitational perturbations. In particular, the internal Solar System dynamics (planets, Earth-Moon) opens up the possibility, for the first time, to prove the abundance, mass and size, of dark sub-structures at the Earth vicinity. We find that adopting the standard dark matter density, its local distribution can be composed by sub-solar mass halos with no currently measurable dynamical consequences, regardless of the mini-halo fraction. On the other hand, it is possible to exclude the presence of dark streams with linear mass densities higher than $\\lambda_{\\rm st}> 10^{-10} \\Msun/\\AU$ (about the Earth mass spread along the diameter of the SS up to the Kuiper belt). In addition, we review the dynamics of wide binaries inside the dwarf spheroidal galaxies in the MW. The dynamics of such kind of binaries seem to be compatible with the presence of a huge fraction of dark sub-structure, ...

  15. Substructure dependence of jet cross sections at HERA and determination of $\\alpha_{s}$

    CERN Document Server

    Chekanov, S; Abt, I; Adamczyk, L; Adamus, M; Adler, V; Aghuzumtsyan, G; Antonioli, P; Antonov, A; Arneodo, M; Bailey, D S; Bamberger, A; Barakbaev, A N; Barbagli, G; Barbi, M; Bari, G; Barreiro, F; Bartsch, D; Basile, M; Behrens, U; Bellagamba, L; Bellan, P M; Benen, A; Bertolin, A; Bhadra, S; Bloch, I; Bold, T; Boos, E G; Borras, K; Boscherini, D; Brock, I; Brook, N H; Brugnera, R; Brümmer, N; Bruni, A; Bruni, G; Bussey, P J; Butterworth, J M; Büttner, C; Bylsma, B; Caldwell, A; Capua, M; Cara Romeo, G; Carli, T; Carlin, R; Catterall, C D; Chiochia, V; Chwastowski, J; Ciborowski, J; Ciesielski, R; Cifarelli, Luisa; Cindolo, F; Cloth, P; Cole, J E; Collins-Tooth, C; Contin, A; Cooper-Sarkar, A M; Coppola, N; Cormack, C; Corradi, M; Corriveau, F; Costa, M; Cottrell, A; D'Agostini, Giulio; Dal Corso, F; Danilov, P; Dannheim, D; De Pasquale, S; Dementiev, R K; Derrick, M; Devenish, R C E; Dhawan, S; Dobur, D; Dolgoshein, B A; Doyle, A T; Drews, G; Durkin, L S; Dusini, S; Eisenberg, Y; Ermolov, P F; Eskreys, Andrzej; Everett, A; Ferrando, J; Ferrero, M I; Figiel, J; Filges, D; Foster, B; Foudas, C; Fourletov, S; Fourletova, J; Fricke, U; Fusayasu, T; Gabareen, A; Galas, A; Gallo, E; Garfagnini, A; Geiser, A; Genta, C; Gialas, I; Giusti, P; Gladilin, L K; Gladkov, D; Glasman, C; Gliga, S; Goers, S; Goncalo, R; González, O; Gosau, T; Göttlicher, P; Grabowska-Bold, I; Grigorescu, G; Grijpink, S; Grzelak, G; Gutsche, O; Gwenlan, C; Haas, T; Hain, W; Hall-Wilton, R; Hamatsu, R; Hamilton, J; Hanlon, S; Hart, J C; Hartmann, H; Hartner, G; Heaphy, E A; Heath, G P; Helbich, M; Heusch, C A; Hilger, E; Hillert, S; Hirose, T; Hochman, D; Holm, U; Horn, C; Iacobucci, G; Iga, Y; Inuzuka, M; Irrgang, P; Jakob, H P; Jones, T W; Kagawa, S; Kahle, B; Kaji, H; Kananov, S; Karshon, M; Karstens, F; Kataoka, M; Katkov, I I; Kcira, D; Keramidas, A; Khein, L A; Kim, J Y; Kind, O; Kisielewska, D; Kitamura, S; Koffeman, E; Kohno, T; Kooijman, P; Koop, T; Korzhavina, I A; Kotanski, A; Kötz, U; Kowal, A M; Kowal, M; Kowalski, H; Kramberger, G; Kreisel, A; Krumnack, N; Kuze, M; Kuzmin, V A; Labarga, L; Labes, H; Lainesse, J; Lammers, S; Lelas, D; Levchenko, B B; Levy, A; Li, L; Lightwood, M S; Lim, H; Lim, I T; Limentani, S; Ling, T Y; Liu, X; Löhr, B; Lohrmann, E; Loizides, J H; Long, K R; Longhin, A; Lukina, O Yu; Luzniak, P; Ma, K J; Maddox, E; Magill, S; Mankel, R; Margotti, A; Marini, G; Martin, J F; Mastroberardino, A; Matsuzawa, K; Mattingly, M C K; McCubbin, N A; Melzer-Pellmann, I A; Menary, S R; Metlica, F; Meyer, U; Miglioranzi, S; Milite, M; Mirea, A; Monaco, V; Montanari, A; Musgrave, B; Nagano, K; Namsoo, T; Nania, R; Nguyen, C N; Nigro, A; Ning, Y; Notz, D; Nowak, R J; Nuncio, A E; Oh, B Y; Olkiewicz, K; Pac, M Y; Padhi, S; Palmonari, F; Parenti, A; Park, I H; Patel, S; Paul, E; Pavel, Usan; Pawlak, J M; Pelfer, P G; Pellegrino, A; Pesci, A; Piotrzkowski, K; Plucinsky, P P; Pokrovskiy, N S; Polini, A; Posocco, M; Proskuryakov, A S; Przybycien, M B; Rautenberg, J; Raval, A; Reeder, D D; Ren, Z; Renner, R; Repond, J; Rinaldi, L; Riveline, U; Robins, S; Rosin, M; Ruspa, M; Ryan, P; Sacchi, R; Salehi, H; Sartorelli, G; Savin, A A; Saxon, D H; Schagen, S; Schioppa, M; Schlenstedt, S; Schleper, P; Schmidke, W B; Schneekloth, U; Schörner-Sadenius, T; Sciulli, F; Shcheglova, L M; Skillicorn, I O; Slominski, W; Smith, W H; Soares, M; Solano, A; Son, D; Sosnovtsev, V V; Stairs, D G; Stanco, L; Standage, J; Stifutkin, A; Stonjek, S; Stopa, P; Stösslein, U; Straub, P B; Suchkov, S; Susinno, G; Suszycki, L; Sutiak, J; Sutton, M R; Sztuk, J; Szuba, D; Szuba, J; Tandler, J; Tapper, A D; Targett-Adams, C; Tassi, E; Tawara, T; Terron, J; Tiecke, H G; Tokushuku, K; Tsurugai, T; Turcato, M; Tymieniecka, T; Ukleja, A; Ukleja, J; Vázquez, M; Vlasov, N N; Voss, K C; Walczak, R; Walsh, R; Wang, M; Whitmore, J J; Wichmann, K; Wick, K; Wiggers, L; Wills, H H; Wing, M; Wolf, G; Yamada, S; Yamashita, T; Yamazaki, Y; Yoshida, R; Youngman, C; Zambrana, M; Zawiejski, L; Zeuner, W; Zhautykov, B O; Zichichi, A; Ziegler, A; Zotkin, S A; De Favereau, J; De Wolf, E; Del Peso, J

    2004-01-01

    Jet substructure and differential cross sections for jets produced in the photoproduction and deep inelastic ep scattering regimes have been measured with the ZEUS detector at HERA using an integrated luminosity of 82.2 pb-1. The substructure of jets has been studied in terms of the jet shape and subjet multiplicity for jets with transverse energies Et(jet) > 17 GeV. The data are well described by the QCD calculations. The jet shape and subjet multiplicity are used to tag gluon- and quark-initiated jets. Jet cross sections as functions of Et(jet), jet pseudorapidity, the jet-jet scattering angle, dijet invariant mass and the fraction of the photon energy carried by the dijet system are presented for gluon- and quark-tagged jets. The data exhibit the behaviour expected from the underlying parton dynamics. A value of alphas(Mz) of alphas(Mz) = 0.1176 +-0.0009(stat.) -0.0026 +0.0009 (exp.) -0.0072 +0.0091 (th.) was extracted from the measurements of jet shapes in deep inelastic scattering.

  16. Effects of Dark Matter Substructures on Gravitational Lensing: Results from the Aquarius Simulations

    CERN Document Server

    Xu, D D; Wang, J; Springel, V; Gao, L; White, S D M; Frenk, C S; Jenkins, A; Li, G; Navarro, J F

    2009-01-01

    We use high-resolution Aquarius simulations of Milky Way-sized haloes in the LCDM cosmology to study the effects of dark matter substructures on gravitational lensing. Each halo is resolved with ~ 10^8 particles (at a mass resolution ~ 10^3-4 M_sun/h) within its virial radius. Subhaloes with masses larger than 10^5 M_sun/h are well resolved, an improvement of at least two orders of magnitude over previous lensing studies. We incorporate a baryonic component modelled as a Hernquist profile and account for the response of the dark matter via adiabatic contraction. We focus on the "anomalous" flux ratio problem, in particular on the violation of the cusp-caustic relation due to substructures. We find that subhaloes with masses less than ~ 10^8 M_sun/h play an important role in causing flux anomalies; such low mass subhaloes have been unresolved in previous studies. There is large scatter in the predicted flux ratios between different haloes and between different projections of the same halo. In some cases, the f...

  17. The Substructure of the Solar Corona Observed in the Hi-C Telescope

    Science.gov (United States)

    Winebarger, A.; Cirtain, J.; Golub, L.; DeLuca, E.; Savage, S.; Alexander, C.; Schuler, T.

    2014-01-01

    In the summer of 2012, the High-resolution Coronal Imager (Hi-C) flew aboard a NASA sounding rocket and collected the highest spatial resolution images ever obtained of the solar corona. One of the goals of the Hi-C flight was to characterize the substructure of the solar corona. We therefore calculate how the intensity scales from a low-resolution (AIA) pixels to high-resolution (Hi-C) pixels for both the dynamic events and "background" emission (meaning, the steady emission over the 5 minutes of data acquisition time). We find there is no evidence of substructure in the background corona; the intensity scales smoothly from low-resolution to high-resolution Hi-C pixels. In transient events, however, the intensity observed with Hi-C is, on average, 2.6 times larger than observed with AIA. This increase in intensity suggests that AIA is not resolving these events. This result suggests a finely structured dynamic corona embedded in a smoothly varying background.

  18. Statistics of Dark Matter Substructure: III. Halo-to-Halo Variance

    CERN Document Server

    Jiang, Fangzhou

    2016-01-01

    We present a study of unprecedented statistical power regarding the halo-to-halo variance of dark matter substructure. Using a combination of N-body simulations and a semi-analytical model, we investigate the variance in subhalo mass fractions and subhalo occupation numbers, with an emphasis on how these statistics scale with halo formation time. We demonstrate that the subhalo mass fraction, f_sub, is mainly a function of halo formation time, with earlier forming haloes having less substructure. At fixed formation redshift, the average f_sub is virtually independent of halo mass, and the mass dependence of f_sub is therefore mainly a manifestation of more massive haloes assembling later. We compare observational constraints on f_sub from gravitational lensing to our model predictions and simulation results. Although the inferred f_sub are substantially higher than the median LCDM predictions, they fall within the 95th percentile due to halo-to-halo variance. We show that while the halo occupation distributio...

  19. RINGED SUBSTRUCTURE AND A GAP AT 1 au IN THE NEAREST PROTOPLANETARY DISK

    Energy Technology Data Exchange (ETDEWEB)

    Andrews, Sean M.; Wilner, David J.; Bai, Xue-Ning; Öberg, Karin I.; Ricci, Luca [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Zhu, Zhaohuan [Department of Astrophysical Sciences, Princeton University, 4 Ivy Lane, Peyton Hall, Princeton, NJ 08544 (United States); Birnstiel, Tilman [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany); Carpenter, John M. [Joint ALMA Observatory (JAO), Alonso de Cordova 3107, Vitacura-Santiago de Chile (Chile); Pérez, Laura M. [Max-Planck-Institut für Radioastronomie, Auf dem Hügel 69, D-53121 Bonn (Germany); Hughes, A. Meredith [Department of Astronomy, Wesleyan University, Van Vleck Observatory, 96 Foss Hill Drive, Middletown, CT 06457 (United States); Isella, Andrea, E-mail: sandrews@cfa.harvard.edu [Department of Physics and Astronomy, Rice University, 6100 Main Street, Houston, TX 77005 (United States)

    2016-04-01

    We present long baseline Atacama Large Millimeter/submillimeter Array (ALMA) observations of the 870 μm continuum emission from the nearest gas-rich protoplanetary disk, around TW Hya, that trace millimeter-sized particles down to spatial scales as small as 1 au (20 mas). These data reveal a series of concentric ring-shaped substructures in the form of bright zones and narrow dark annuli (1–6 au) with modest contrasts (5%–30%). We associate these features with concentrations of solids that have had their inward radial drift slowed or stopped, presumably at local gas pressure maxima. No significant non-axisymmetric structures are detected. Some of the observed features occur near temperatures that may be associated with the condensation fronts of major volatile species, but the relatively small brightness contrasts may also be a consequence of magnetized disk evolution (the so-called zonal flows). Other features, particularly a narrow dark annulus located only 1 au from the star, could indicate interactions between the disk and young planets. These data signal that ordered substructures on ∼au scales can be common, fundamental factors in disk evolution and that high-resolution microwave imaging can help characterize them during the epoch of planet formation.

  20. Embedded Fragments from U.S. Military Personnel—Chemical Analysis and Potential Health Implications

    Directory of Open Access Journals (Sweden)

    José A. Centeno

    2014-01-01

    Full Text Available Background: The majority of modern war wounds are characterized by high-energy blast injuries containing a wide range of retained foreign materials of a metallic or composite nature. Health effects of retained fragments range from local or systemic toxicities to foreign body reactions or malignancies, and dependent on the chemical composition and corrosiveness of the fragments in vivo. Information obtained by chemical analysis of excised fragments can be used to guide clinical decisions regarding the need for fragment removal, to develop therapeutic interventions, and to better anticipate future medical problems from retained fragment related injuries. In response to this need, a new U.S Department of Defense (DoD directive has been issued requiring characterization of all removed fragments to provide a database of fragment types occurring in combat injuries. Objectives: The objective of this study is to determine the chemical composition of retained embedded fragments removed from injured military personnel, and to relate results to histological findings in tissue adjacent to fragment material. Methods: We describe an approach for the chemical analysis and characterization of retained fragments and adjacent tissues, and include case examples describing fragments containing depleted uranium (DU, tungsten (W, lead (Pb, and non-metal foreign bodies composed of natural and composite materials. Fragments obtained from four patients with penetrating blast wounds to the limbs were studied employing a wide range of chemical and microscopy techniques. Available adjacent tissues from three of the cases were histologically, microscopically, and chemically examined. The physical and compositional properties of the removed foreign material surfaces were examined with energy dispersive x-ray fluorescence spectrometry (EDXRF, scanning electron microscopy (SEM, laser ablation inductively-coupled plasma mass-spectrometry (LA-ICP-MS, and confocal laser Raman

  1. In situ Analysis of Organic Compounds on Mars using Chemical Derivatization and Gas Chromatography Mass Spectrometry

    Science.gov (United States)

    Glavin, D. P.; Buch, A.; Cabane, M.; Coll, P.; Navarro-Gonzalez, R.; Mahaffy, P. R.

    2005-01-01

    One of the core science objectives of NASA's 2009 Mars Science Laboratory (MSL) mission is to determine the past or present habitability of Mars. The search for key organic compounds relevant to terrestrial life will be an important part of that assessment. We have developed a protocol for the analysis of amino acids and carboxylic acids in Mars analogue materials using gas chromatography mass spectrometry (GCMS). As shown, a variety of carboxylic acids were readily identified in soil collected from the Atacama Desert in Chile at part-per-billion levels by GCMS after extraction and chemical derivatization using the reagent N,N-tert.-butyl (dimethylsilyl) trifluoroacetamide (MTBSTFA). Several derivatized amino acids including glycine and alanine were also detected by GCMS in the Atacama soil at lower concentrations (chromatogram not shown). Lacking derivatization capability, the Viking pyrolysis GCMS instruments could not have detected amino acids and carboxylic acids, since these non-volatile compounds require chemical transformation into volatile species that are stable in a GC column. We are currently optimizing the chemical extraction and derivatization technique for in situ GCMS analysis on Mars. Laboratory results of analyses of Atacama Desert samples and other Mars analogue materials using this protocol will be presented.

  2. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction.

    Science.gov (United States)

    Zhu, Hongying; Huang, Guangming

    2015-03-31

    In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m(-3), ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages.

  3. A decision analysis framework for estimating the potential hazards for drinking water resources of chemicals used in hydraulic fracturing fluids.

    Science.gov (United States)

    Yost, Erin E; Stanek, John; Burgoon, Lyle D

    2017-01-01

    Despite growing concerns over the potential for hydraulic fracturing to impact drinking water resources, there are limited data available to identify chemicals used in hydraulic fracturing fluids that may pose public health concerns. In an effort to explore these potential hazards, a multi-criteria decision analysis (MCDA) framework was employed to analyze and rank selected subsets of these chemicals by integrating data on toxicity, frequency of use, and physicochemical properties that describe transport in water. Data used in this analysis were obtained from publicly available databases compiled by the United States Environmental Protection Agency (EPA) as part of a larger study on the potential impacts of hydraulic fracturing on drinking water. Starting with nationwide hydraulic fracturing chemical usage data from EPA's analysis of the FracFocus Chemical Disclosure Registry 1.0, MCDAs were performed on chemicals that had either noncancer toxicity values (n=37) or cancer-specific toxicity values (n=10). The noncancer MCDA was then repeated for subsets of chemicals reported in three representative states (Texas, n=31; Pennsylvania, n=18; and North Dakota, n=20). Within each MCDA, chemicals received scores based on relative toxicity, relative frequency of use, and physicochemical properties (mobility in water, volatility, persistence). Results show a relative ranking of these chemicals based on hazard potential, and provide preliminary insight into chemicals that may be more likely than others to impact drinking water resources. Comparison of nationwide versus state-specific analyses indicates regional differences in the chemicals that may be of more concern to drinking water resources, although many chemicals were commonly used and received similar overall hazard rankings. Several chemicals highlighted by these MCDAs have been reported in groundwater near areas of hydraulic fracturing activity. This approach is intended as a preliminary analysis, and represents one

  4. Development and design of a semi-floater substructure for multi-megawatt wind turbines at 50+ m water depths

    DEFF Research Database (Denmark)

    NJOMO WANDJI, Wilfried; Natarajan, Anand; Dimitrov, Nikolay Krasimirov

    2016-01-01

    A semi-floater concept as a substructure for multi-megawatt wind turbines is developed herein for installation at 50þ m water depths. The semi-floater concept is a hybrid between a fixed monopile type support structure and a floating spar buoy. The configuration of the substructure is composed...... turbine components, and to exhibit low platform displacement at the mean sea level. Finally, the overall performance of the structure related to energy production is similar to that of a reference wind turbine situated on land....

  5. Fault Diagnosis in Chemical Process Based on Self-organizing Map Integrated with Fisher Discriminant Analysis

    Institute of Scientific and Technical Information of China (English)

    CHEN Xinyi; YAN Xuefeng

    2013-01-01

    Fault diagnosis and monitoring are very important for complex chemical process.There are numerous methods that have been studied in this field,in which the effective visualization method is still challenging.In order to get a better visualization effect,a novel fault diagnosis method which combines self-organizing map (SOM) with Fisher discriminant analysis (FDA) is proposed.FDA can reduce the dimension of the data in terms of maximizing the separability of the classes.After feature extraction by FDA,SOM can distinguish the different states on the output map clearly and it can also be employed to monitor abnormal states.Tennessee Eastman (TE) process is employed to illustrate the fault diagnosis and monitoring performance of the proposed method.The result shows that the SOM integrated with FDA method is efficient and capable for real-time monitoring and fault diagnosis in complex chemical process.

  6. Computer-Aided Modelling of Short-Path Evaporation for Chemical Product Purification, Analysis and Design

    DEFF Research Database (Denmark)

    Sales-Cruz, Alfonso Mauricio; Gani, Rafiqul

    2006-01-01

    An important stage in the design process for many chemical products is its manufacture where, for a class of chemical products that may be thermally unstable (such as, drugs, insecticides, flavours /fragrances, and so on), the purification step plays a major role. Short-path evaporation is a safe...... method, suitable for separation and purification of thermally unstable materials whose design and analysis can be efficiently performed through reliable model-based techniques. This paper presents a generalized model for short-path evaporation and highlights its development, implementation and solution...... glycerol, mono-, di- and triglycerides, and (b) the recovery of a pharmaceutical product from a six-component mixture. Validation of the short-path evaporation model is highlighted through the comparison of experimental data from an industrial pilot plant with the simulated results from the model. Also...

  7. Prediction of chemical, physical and sensory data from process parameters for frozen cod using multivariate analysis

    DEFF Research Database (Denmark)

    Bechmann, Iben Ellegaard; Jensen, H.S.; Bøknæs, Niels

    1998-01-01

    Physical, chemical and sensory quality parameters were determined for 115 cod (Gadus morhua) samples stored under varying frozen storage conditions. Five different process parameters (period of frozen storage, frozen storage. temperature, place of catch, season for catching and state of rigor) were...... varied systematically at two levels. The data obtained were evaluated using the multivariate methods, principal component analysis (PCA) and partial least squares (PLS) regression. The PCA models were used to identify which process parameters were actually most important for the quality of the frozen cod....... PLS models that were able to predict the physical, chemical and sensory quality parameters from the process parameters of the frozen raw material were generated. The prediction abilities of the PLS models were good enough to give reasonable results even when the process parameters were characterised...

  8. Thermo-chemical, mechanical and resin flow integrated analysis in pultrusion

    Science.gov (United States)

    Carlone, Pierpaolo; Rubino, Felice; Palazzo, Gaetano S.

    2016-10-01

    The present work discusses some numerical outcomes provided by an integrated analysis of impregnation, thermo-chemical and stress/strain aspects in a conventional pultrusion process. The impregnation models describes resin flow and pressure distribution in the initial portion of the die, solving a non-homogeneous non-isothermal/reactive multiphase problem, using a finite volume scheme. The thermochemical model describes the heat transfer and degree of cure evolution of the processing resin. Finally, the stress/strain model computes the part distortion and in process stresses due to thermal, chemical, mechanical strains. An applicative case study is presented, simulating the impregnation step of the pultrusion process of a fiberglass-epoxy resin composite rod.

  9. Variability of biomass chemical composition and rapid analysis using FT-NIR techniques

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Lu [University of Tennessee, Knoxville (UTK); Ye, Philip [University of Tennessee, Knoxville (UTK); Womac, A.R. [University of Tennessee; Sokhansanj, Shahabaddine [ORNL

    2010-04-01

    A quick method for analyzing the chemical composition of renewable energy biomass feedstock was developed by using Fourier transform near-infrared (FT-NIR) spectroscopy coupled with multivariate analysis. The study presents the broad-based model hypothesis that a single FT-NIR predictive model can be developed to analyze multiple types of biomass feedstock. The two most important biomass feedstocks corn stover and switchgrass were evaluated for the variability in their concentrations of the following components: glucan, xylan, galactan, arabinan, mannan, lignin, and ash. A hypothesis test was developed based upon these two species. Both cross-validation and independent validation results showed that the broad-based model developed is promising for future chemical prediction of both biomass species; in addition, the results also showed the method's prediction potential for wheat straw.

  10. Chemical contents in Lygeum spartum L. using instrumental neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Nedjimi, Bouzid [Djelfa Univ. (Algeria). Lab. of Exploration and Valorization of Steppe Ecosystem; Beladel, Brahim [Djelfa Univ. (Algeria)

    2015-09-01

    The present investigation was conducted to determine the chemical contents of Lygeum spartum L. (Poaceae). Samples were analyzed in order to determine essential (Ca, K, Na, Fe, Co) and some potentially toxic elements (Eu, Sb, Tb) using instrumental neutron activation analysis (INAA). In general chemical element contents were in substantial amounts to meet adult sheep requirements. Potential intake of Ca, K, Zn, Co and Fe by ruminant weighing 50 kg BW consuming 2.0 kg per day DM was sufficient to satisfy their requirements. However, only Na level was still insufficient to meet the requirements for grazing ruminants. Potential toxic elements in this species were within the safety baseline of all the assayed elements recommended by NRC. Na supplementation would seem to be necessary in this zone, for optimum productivity of grazing animals.

  11. Physico-Chemical Analysis of Selected Groundwater Samples of Inkollu Mandal, Prakasam District, Andhra Pradesh, India

    Directory of Open Access Journals (Sweden)

    G. Arun Kumar

    2015-04-01

    Full Text Available Physico-chemical parameters of groundwater quality based on Physic-chemical parameters at Inkollu mandal, Prakasam district, Andhra Pradesh, India have been taken up to evaluate its suitability for Drinking purpose. Nine ground water samples were collected from different places of Inkollu mandal of Prakasam district. The quality analysis has been made through the pH, EC, TDS, Total Hardness, Sodium, Potassium, Calcium, Magnesium, Chloride, Sulphate, Nitrate, Fluoride and Iron. By observing the results, it was shown that the parameters from the water samples were compared with WHO (World Health Organization and BIS (Bureau of Indian Standards, USPH (United state Public health for ground water .The results revealed that some parameters were in high concentration and quality of the potable water has deteriorated to a large extent at some sampling locations.

  12. PACSY, a relational database management system for protein structure and chemical shift analysis.

    Science.gov (United States)

    Lee, Woonghee; Yu, Wookyung; Kim, Suhkmann; Chang, Iksoo; Lee, Weontae; Markley, John L

    2012-10-01

    PACSY (Protein structure And Chemical Shift NMR spectroscopY) is a relational database management system that integrates information from the Protein Data Bank, the Biological Magnetic Resonance Data Bank, and the Structural Classification of Proteins database. PACSY provides three-dimensional coordinates and chemical shifts of atoms along with derived information such as torsion angles, solvent accessible surface areas, and hydrophobicity scales. PACSY consists of six relational table types linked to one another for coherence by key identification numbers. Database queries are enabled by advanced search functions supported by an RDBMS server such as MySQL or PostgreSQL. PACSY enables users to search for combinations of information from different database sources in support of their research. Two software packages, PACSY Maker for database creation and PACSY Analyzer for database analysis, are available from http://pacsy.nmrfam.wisc.edu.

  13. 13C-NMR chemical shift databases as a quick tool to evaluate structural models of humic substances

    DEFF Research Database (Denmark)

    Nyrop Albers, Christian; Hansen, Poul Erik

    2010-01-01

    Models for humic and fulvic acids are discussed based on 13C liquid state NMR spectra combined with results from elemental analysis and titration studies. The analysis of NMR spectra is based on a full reconstruction of the NMR spectrum done with help of 13C-NMR data bases by adding up chemical...... side missing structural elements in the models can be suggested. A number of proposed structures for humic and fulvic acids are discussed based on the above analysis....... shifts of all substructures from the proposed models. A full reconstruction makes sure that all carbons are accounted for and enables on the negative side to discuss structural elements identified from recorded spectra of humic substances that cannot be observed in the simulated spectrum. On the positive...

  14. Microfluidic electrochemical device and process for chemical imaging and electrochemical analysis at the electrode-liquid interface in-situ

    Science.gov (United States)

    Yu, Xiao-Ying; Liu, Bingwen; Yang, Li; Zhu, Zihua; Marshall, Matthew J.

    2016-03-01

    A microfluidic electrochemical device and process are detailed that provide chemical imaging and electrochemical analysis under vacuum at the surface of the electrode-sample or electrode-liquid interface in-situ. The electrochemical device allows investigation of various surface layers including diffuse layers at selected depths populated with, e.g., adsorbed molecules in which chemical transformation in electrolyte solutions occurs.

  15. Kinematic analysis of in situ measurement during chemical mechanical planarization process

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hongkai; Wang, Tongqing; Zhao, Qian; Meng, Yonggang; Lu, Xinchun, E-mail: xclu@tsinghua.edu.cn [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

    2015-10-15

    Chemical mechanical planarization (CMP) is the most widely used planarization technique in semiconductor manufacturing presently. With the aid of in situ measurement technology, CMP tools can achieve good performance and stable productivity. However, the in situ measurement has remained unexplored from a kinematic standpoint. The available related resources for the kinematic analysis are very limited due to the complexity and technical secret. In this paper, a comprehensive kinematic analysis of in situ measurement is provided, including the analysis model, the measurement trajectory, and the measurement time of each zone of wafer surface during the practical CMP process. In addition, a lot of numerical calculations are performed to study the influences of main parameters on the measurement trajectory and the measurement velocity variation of the probe during the measurement process. All the efforts are expected to improve the in situ measurement system and promote the advancement in CMP control system.

  16. Physical and chemical analysis of a Ni/H2 cell

    Science.gov (United States)

    Vaidyanathan, H.; Earl, M. W.; Kirkendall, T. D.

    1991-01-01

    A cycled aerospace nickel hydrogen (Ni/H2) cell was subjected to destructive physical analysis to determine the reason for a capacity loss after 5,967 cycles at 60 percent depth of discharge. The positive plates in the cell were analyzed in terms of chemical composition, active material utilization, charge efficiency, and thickness increase. The microstructure of a cross section of the positive plate was determined by backscattered electron image analysis. The results suggest that the capacity loss in the cell is caused by low charge acceptance and low active material utilization at the positive plate. The oxidized nickel species content of the positive plate increased due to corrosion of the nickel sintered skeleton. This appears to circumvent the orderly reaction of the active material. Microstructural analysis has indicated that a new phase of active material is formed with cycling.

  17. Standard test methods for chemical, mass spectrometric, spectrochemical, nuclear, and radiochemical analysis of uranium hexafluoride

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2011-01-01

    1.1 These test methods cover procedures for subsampling and for chemical, mass spectrometric, spectrochemical, nuclear, and radiochemical analysis of uranium hexafluoride UF6. Most of these test methods are in routine use to determine conformance to UF6 specifications in the Enrichment and Conversion Facilities. 1.2 The analytical procedures in this document appear in the following order: Note 1—Subcommittee C26.05 will confer with C26.02 concerning the renumbered section in Test Methods C761 to determine how concerns with renumbering these sections, as analytical methods are replaced with stand-alone analytical methods, are best addressed in subsequent publications. Sections Subsampling of Uranium Hexafluoride 7 - 10 Gravimetric Determination of Uranium 11 - 19 Titrimetric Determination of Uranium 20 Preparation of High-Purity U3O 8 21 Isotopic Analysis 22 Isotopic Analysis by Double-Standard Mass-Spectrometer Method 23 - 29 Determination of Hydrocarbons, Chlorocarbons, and Partially Substitut...

  18. Topological sub-structural molecular design (TOPS-MODE): a useful tool to explore key fragments of human A3 adenosine receptor ligands.

    Science.gov (United States)

    Saíz-Urra, Liane; Teijeira, Marta; Rivero-Buceta, Virginia; Helguera, Aliuska Morales; Celeiro, Maria; Terán, Ma Carmen; Besada, Pedro; Borges, Fernanda

    2016-02-01

    Adenosine regulates tissue function by activating four G-protein-coupled adenosine receptors (ARs). Selective agonists and antagonists for A3 ARs have been investigated for the treatment of a variety of immune disorders, cancer, brain, and heart ischemic conditions. We herein present a QSAR study based on a Topological sub-structural molecular design (TOPS-MODE) approach, intended to predict the A3 ARs of a diverse dataset of 124 (94 training set/ 30 prediction set) adenosine derivatives. The final model showed good fit and predictive capability, displaying 85.1 % of the experimental variance. The TOPS-MODE approach afforded a better understanding and interpretation of the developed model based on the useful information extracted from the analysis of the contribution of different molecular fragments to the affinity.

  19. Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches.

    Science.gov (United States)

    de Luca, Aurélie; Horvath, Dragos; Marcou, Gilles; Solov'ev, Vitaly; Varnek, Alexandre

    2012-09-24

    This work addresses the problem of similarity search and classification of chemical reactions using Neighborhood Behavior (NB) and Condensed Graphs of Reaction (CGR) approaches. The CGR formalism represents chemical reactions as a classical molecular graph with dynamic bonds, enabling descriptor calculations on this graph. Different types of the ISIDA fragment descriptors generated for CGRs in combination with two metrics--Tanimoto and Euclidean--were considered as chemical spaces, to serve for reaction dissimilarity scoring. The NB method has been used to select an optimal combination of descriptors which distinguish different types of chemical reactions in a database containing 8544 reactions of 9 classes. Relevance of NB analysis has been validated in generic (multiclass) similarity search and in clustering with Self-Organizing Maps (SOM). NB-compliant sets of descriptors were shown to display enhanced mapping propensities, allowing the construction of better Self-Organizing Maps and similarity searches (NB and classical similarity search criteria--AUC ROC--correlate at a level of 0.7). The analysis of the SOM clusters proved chemically meaningful CGR substructures representing specific reaction signatures.

  20. Histopathological image analysis of chemical-induced hepatocellular hypertrophy in mice.

    Science.gov (United States)

    Asaoka, Yoshiji; Togashi, Yuko; Mutsuga, Mayu; Imura, Naoko; Miyoshi, Tomoya; Miyamoto, Yohei

    2016-04-01

    Chemical-induced hepatocellular hypertrophy is frequently observed in rodents, and is mostly caused by the induction of phase I and phase II drug metabolic enzymes and peroxisomal lipid metabolic enzymes. Liver weight is a sensitive and commonly used marker for detecting hepatocellular hypertrophy, but is also increased by a number of other factors. Histopathological observations subjectively detect changes such as hepatocellular hypertrophy based on the size of a hepatocyte. Therefore, quantitative microscopic observations are required to evaluate histopathological alterations objectively. In the present study, we developed a novel quantitative method for an image analysis of hepatocellular hypertrophy using liver sections stained with hematoxylin and eosin, and demonstrated its usefulness for evaluating hepatocellular hypertrophy induced by phenobarbital (a phase I and phase II enzyme inducer) and clofibrate (a peroxisomal enzyme inducer) in mice. The algorithm of this imaging analysis was designed to recognize an individual hepatocyte through a combination of pixel-based and object-based analyses. Hepatocellular nuclei and the surrounding non-hepatocellular cells were recognized by the pixel-based analysis, while the areas of the recognized hepatocellular nuclei were then expanded until they ran against their expanding neighboring hepatocytes and surrounding non-hepatocellular cells by the object-based analysis. The expanded area of each hepatocellular nucleus was regarded as the size of an individual hepatocyte. The results of this imaging analysis showed that changes in the sizes of hepatocytes corresponded with histopathological observations in phenobarbital and clofibrate-treated mice, and revealed a correlation between hepatocyte size and liver weight. In conclusion, our novel image analysis method is very useful for quantitative evaluations of chemical-induced hepatocellular hypertrophy.

  1. Hydrogen Safety Project chemical analysis support task: Window C'' volatile organic analysis

    Energy Technology Data Exchange (ETDEWEB)

    Gillespie, B.M.; Stromatt, R.W.; Ross, G.A.; Hoope, E.A.

    1992-01-01

    This data package contains the results obtained by Pacific Northwest Laboratory (PNL) staff in the characterization of samples for the 101-SY Hydrogen Safety Project. The samples were submitted for analysis by Westinghouse Hanford Company (WHC) under the Technical Project Plan (TPP) 17667 and the Quality Assurance Plan MCS-027. They came from a core taken during Window C'' after the May 1991 gas release event. The analytical procedures required for analysis were defined in the Test Instructions (TI) prepared by the PNL 101-SY Analytical Chemistry Laboratory (ACL) Project Management Office in accordance with the TPP and the QA Plan. The requested analysis for these samples was volatile organic analysis. The quality control (QC) requirements for each sample are defined in the Test Instructions for each sample. The QC requirements outlined in the procedures and requested in the WHC statement of work were followed.

  2. Hydrogen Safety Project chemical analysis support task: Window ``C`` volatile organic analysis

    Energy Technology Data Exchange (ETDEWEB)

    Gillespie, B.M.; Stromatt, R.W.; Ross, G.A.; Hoope, E.A.

    1992-01-01

    This data package contains the results obtained by Pacific Northwest Laboratory (PNL) staff in the characterization of samples for the 101-SY Hydrogen Safety Project. The samples were submitted for analysis by Westinghouse Hanford Company (WHC) under the Technical Project Plan (TPP) 17667 and the Quality Assurance Plan MCS-027. They came from a core taken during Window ``C`` after the May 1991 gas release event. The analytical procedures required for analysis were defined in the Test Instructions (TI) prepared by the PNL 101-SY Analytical Chemistry Laboratory (ACL) Project Management Office in accordance with the TPP and the QA Plan. The requested analysis for these samples was volatile organic analysis. The quality control (QC) requirements for each sample are defined in the Test Instructions for each sample. The QC requirements outlined in the procedures and requested in the WHC statement of work were followed.

  3. Analysis of Thermal Desorption System for the Chemical Treatment of Old Storages of Oil Based Mud

    Directory of Open Access Journals (Sweden)

    Tanweer Hussain

    2013-04-01

    Full Text Available This paper presents an analysis for the chemical treatment of OBM (Oil Based Mud used in the drilling process in the oil and gas industry. The analysis is based on OBM stored at ENI (Italian National Energy gas fields at Bhit mount district Jamshoro since the last ten years that has been chemically and physically deteriorated. Characterization of various OBM samples was performed and these samples were processed in order to evaluate the best characteristics of the OBM for optimum treatment results. The OBM treatment process involves the separation of hazardous fluid (such as diesel or mineral oil from solids Due to the lean quality of the OBM, the dust separation process in the cyclone caused blockage in the cyclone. This paper suggests a remedial way by means of installation of a hammer stick in the cyclone dust collector to overcome cyclone blockage. The analysis is performed to compare the pressure drop and the dust collection efficiency in the cyclone with and without the hammer stick. The post-installation experimental results showed that hammer stick can improve the cyclone dust collection efficiency without blockage of the cyclone.

  4. Electrochemical metal speciation analysis of chemically heterogeneous samples: the outstanding features of stripping chronopotentiometry at scanned deposition potential

    NARCIS (Netherlands)

    Leeuwen, van H.P.; Town, R.M.

    2003-01-01

    The application of depletive stripping chronopotentiometry at scanned deposition potential (SSCP) to metal ion speciation analysis of chemically heterogeneous complex systems is described. In this electroanalytical stripping technique, metal which is accumulated in the electrode during the depositio

  5. Standard test methods for chemical, mass spectrometric, spectrochemical, nuclear, and radiochemical analysis of nuclear-grade plutonium metal

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2004-01-01

    1.1 These test methods cover procedures for the chemical, mass spectrometric, spectrochemical, nuclear, and radiochemical analysis of nuclear-grade plutonium metal to determine compliance with specifications.

  6. CHEMKIN-III: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical and plasma kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Kee, R.J.; Rupley, F.M.; Meeks, E.; Miller, J.A.

    1996-05-01

    This document is the user`s manual for the third-generation CHEMKIN package. CHEMKIN is a software package whose purpose is to facilitate the formation, solution, and interpretation of problems involving elementary gas-phase chemical kinetics. It provides a flexible and powerful tool for incorporating complex chemical kinetics into simulations of fluid dynamics. The package consists of two major software components: an Interpreter and a Gas-Phase Subroutine Library. The Interpreter is a program that reads a symbolic description of an elementary, user-specified chemical reaction mechanism. One output from the Interpreter is a data file that forms a link to the Gas-Phase Subroutine Library. This library is a collection of about 100 highly modular FORTRAN subroutines that may be called to return information on equations of state, thermodynamic properties, and chemical production rates. CHEMKIN-III includes capabilities for treating multi-fluid plasma systems, that are not in thermal equilibrium. These new capabilities allow researchers to describe chemistry systems that are characterized by more than one temperature, in which reactions may depend on temperatures associated with different species; i.e. reactions may be driven by collisions with electrons, ions, or charge-neutral species. These new features have been implemented in such a way as to require little or no changes to CHEMKIN implementation for systems in thermal equilibrium, where all species share the same gas temperature. CHEMKIN-III now has the capability to handle weakly ionized plasma chemistry, especially for application related to advanced semiconductor processing.

  7. Ion beam analysis of copper selenide thin films prepared by chemical bath deposition

    Science.gov (United States)

    Andrade, E.; García, V. M.; Nair, P. K.; Nair, M. T. S.; Zavala, E. P.; Huerta, L.; Rocha, M. F.

    2000-03-01

    Analyses of Rutherford back scattered (RBS) 4He+-particle spectra of copper selenide thin films deposited on glass slides by chemical bath were carried out to determine the changes brought about in the thin film by annealing processes. The atomic density per unit area and composition of the films were obtained from these measurements. This analysis shows that annealing in a nitrogen atmosphere at 400°C leads to the conversion of Cu xSe thin film to Cu 2Se. Results of X-ray diffraction, optical, and electrical characteristics on the films are presented to supplement the RBS results.

  8. Tank 12H Acidic Chemical Cleaning Sample Analysis And Material Balance

    Energy Technology Data Exchange (ETDEWEB)

    Martino, C. J.; Reboul, S. H.; Wiersma, B. J.; Coleman, C. J.

    2013-11-08

    A process of Bulk Oxalic Acid (BOA) chemical cleaning was performed for Tank 12H during June and July of 2013 to remove all or a portion of the approximately 4400 gallon sludge heel. Three strikes of oxalic acid (nominally 4 wt% or 2 wt%) were used at 55°C and tank volumes of 96- to 140-thousand gallons. This report details the sample analysis of a scrape sample taken prior to BOA cleaning and dip samples taken during BOA cleaning. It also documents a rudimentary material balance for the Tank 12H cleaning results.

  9. A Study on the Structural Analysis of Controllability in Chemical Processes

    Energy Technology Data Exchange (ETDEWEB)

    Lee, B.W.; Kim, Y.S.; Yoon, E.S. [Division of Chemical Engineering, Seoul National University, Seoul (Korea)

    1999-04-01

    Chemical processes are highly nonlinear, multivariable systems and have complex structures. However, the controllability evaluation procedures are complicated, and the required information is very often unknown at the early design stage. Therefore, it is necessary to develop a procedure to evaluate and enhance controllability while designing processes and plants. To evaluate controllability in the design stage, it is most efficient to analyze process structure. Relative order can be used as a measure of 'physical closeness' between input and output variable. Structural controllability analysis using relative order is shown to be effective in a case study of heat exchanger network synthesis. 9 refs., 3 figs.

  10. Advancing alternatives analysis: The role of predictive toxicology in selecting safer chemical products and processes.

    Science.gov (United States)

    Malloy, Timothy; Zaunbrecher, Virginia; Beryt, Elizabeth; Judson, Richard; Tice, Raymond; Allard, Patrick; Blake, Ann; Cote, Ila; Godwin, Hilary; Heine, Lauren; Kerzic, Patrick; Kostal, Jakub; Marchant, Gary; McPartland, Jennifer; Moran, Kelly; Nel, Andre; Oguseitan, Oladele; Rossi, Mark; Thayer, Kristina; Tickner, Joel; Whittaker, Margaret; Zarker, Ken

    2017-03-01

    Alternatives analysis (AA) is a method used in regulation and product design to identify, assess, and evaluate the safety and viability of potential substitutes for hazardous chemicals. It requires toxicological data for the existing chemical and potential alternatives. Predictive toxicology uses in silico and in vitro approaches, computational models, and other tools to expedite toxicological data generation in more cost-effective manner than traditional approaches. This article briefly reviews the challenges associated with using predictive toxicology in regulatory AA, then presents four recommendations for its advancement. It recommends using case studies to advance the integration of predictive toxicology into AA; adopting a stepwise process to employing predicative toxicology in AA beginning with prioritization of chemicals of concern; leveraging existing resources to advance the integration of predictive toxicology into the practice of AA, and supporting trans-disciplinary efforts. The further incorporation of predictive toxicology into AA would advance the ability of companies and regulators to select alternatives to harmful ingredients, and potentially increase the use of predictive toxicology in regulation more broadly. This article is protected by copyright. All rights reserved.

  11. Integrated 3D-printed reactionware for chemical synthesis and analysis

    Science.gov (United States)

    Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy

    2012-05-01

    Three-dimensional (3D) printing has the potential to transform science and technology by creating bespoke, low-cost appliances that previously required dedicated facilities to make. An attractive, but unexplored, application is to use a 3D printer to initiate chemical reactions by printing the reagents directly into a 3D reactionware matrix, and so put reactionware design, construction and operation under digital control. Here, using a low-cost 3D printer and open-source design software we produced reactionware for organic and inorganic synthesis, which included printed-in catalysts and other architectures with printed-in components for electrochemical and spectroscopic analysis. This enabled reactions to be monitored in situ so that different reactionware architectures could be screened for their efficacy for a given process, with a digital feedback mechanism for device optimization. Furthermore, solely by modifying reactionware architecture, reaction outcomes can be altered. Taken together, this approach constitutes a relatively cheap, automated and reconfigurable chemical discovery platform that makes techniques from chemical engineering accessible to typical synthetic laboratories.

  12. Advancement in the chemical analysis and quality control of flavonoid in Ginkgo biloba.

    Science.gov (United States)

    Liu, Xin-Guang; Wu, Si-Qi; Li, Ping; Yang, Hua

    2015-09-10

    Flavonoids are the main active constituents in Ginkgo biloba L., which have been suggested to have broad-spectrum free-radical scavenging activities. This review summarizes the recent advances in the chemical analysis of the flavonoids in G. biloba and its finished products (from 2009 to 2014), including chemical composition, sample preparation, separation, detection and different quality criteria. More than 70 kinds of flavonoids have been identified in this plant. In this review, various analytical approaches as well as their chromatographic conditions have been described, and their advantages/disadvantages are also compared. Quantitative analyses of Ginkgo flavonoids applied by most pharmacopeias start with an acidic hydrolysis followed by determination of the resulting aglycones using HPLC. But increasing direct assay of individual flavonol glycosides found that many adulterated products were still qualified by the present tests. To obtain an authentic and applicable analytical approach for quality evaluation of Ginkgo and its finished products, related suggestions and opinions in the recent publications are mainly discussed in this review. This discussion on chemical analyses of Ginkgo flavonoids will also be found as a significant guide for widely varied natural flavonoids.

  13. Summer 2012 Testing and Analysis of the Chemical Mixture Methodology -- Part I

    Energy Technology Data Exchange (ETDEWEB)

    Glantz, Clifford S.; Yu, Xiao-Ying; Coggin, Rebekah L.; Ponder, Lashaundra A.; Booth, Alexander E.; Petrocchi, Achille J.; Horn, Sarah M.; Yao, Juan

    2012-07-01

    This report presents the key findings made by the Chemical Mixture Methodology (CMM) project team during the first stage of their summer 2012 testing and analysis of the CMM. The study focused on answering the following questions: o What is the percentage of the chemicals in the CMM Rev 27 database associated with each Health Code Number (HCN)? How does this result influence the relative importance of acute HCNs and chronic HCNs in the CMM data set? o What is the benefit of using the HCN-based approach? Which Modes of Action and Target Organ Effects tend to be important in determining the HCN-based Hazard Index (HI) for a chemical mixture? o What are some of the potential issues associated with the current HCN-based approach? What are the opportunities for improving the performance and/or technical defensibility of the HCN-based approach? How would those improvements increase the benefit of using the HCN-based approach? o What is the Target Organ System Effect approach and how can it be used to improve upon the current HCN-based approach? How does the benefits users would derive from using the Target Organ System Approach compare to the benefits available from the current HCN-based approach?

  14. Texture Profile Analysis of Sliced Cheese in relation to Chemical Composition and Storage Temperature

    Directory of Open Access Journals (Sweden)

    Yuanrong Zheng

    2016-01-01

    Full Text Available The quantitative relationships among chemical composition, storage temperature, and texture of cheese were not fully understood. In this study, the effects of composition and temperature on textural properties of eight common varieties of sliced cheese were examined. The textural properties of sliced cheeses, including firmness, cohesiveness, adhesiveness, springiness, chewiness, and resilience, were measured by texture profile analysis after storage at 4 and 25°C for 4 h. Multivariate logistic regression models were established to describe the quantitative relationships of textural properties (dependent variables to chemical composition and storage temperature (independent variables of sliced cheeses. Results showed that protein, fat, moisture, and sodium chloride contents as well as storage temperature significantly affected the texture of sliced cheeses (P<0.05. In particular, fat in the dry matter and moisture in the nonfat substances were negatively correlated with firmness of sliced cheeses (P<0.05. As storage temperature rose from 4 to 25°C, the average values of firmness, chewiness, and resilience substantially declined by 42%, 45%, and 17%, respectively (P<0.05. This study provided reference data for adjusting chemical composition and storage temperature of common cheese products to obtain favorable texture for Chinese consumers, which thereby facilitated the localization of cheese industry in Chinese market.

  15. A large scale analysis of information-theoretic network complexity measures using chemical structures.

    Directory of Open Access Journals (Sweden)

    Matthias Dehmer

    Full Text Available This paper aims to investigate information-theoretic network complexity measures which have already been intensely used in mathematical- and medicinal chemistry including drug design. Numerous such measures have been developed so far but many of them lack a meaningful interpretation, e.g., we want to examine which kind of structural information they detect. Therefore, our main contribution is to shed light on the relatedness between some selected information measures for graphs by performing a large scale analysis using chemical networks. Starting from several sets containing real and synthetic chemical structures represented by graphs, we study the relatedness between a classical (partition-based complexity measure called the topological information content of a graph and some others inferred by a different paradigm leading to partition-independent measures. Moreover, we evaluate the uniqueness of network complexity measures numerically. Generally, a high uniqueness is an important and desirable property when designing novel topological descriptors having the potential to be applied to large chemical databases.

  16. Chemoinformatic analysis of GRAS (Generally Recognized as Safe flavor chemicals and natural products.

    Directory of Open Access Journals (Sweden)

    José L Medina-Franco

    Full Text Available Food materials designated as "Generally Recognized as Safe" (GRAS are attracting the attention of researchers in their attempts to systematically identify compounds with putative health-related benefits. In particular, there is currently a great deal of interest in exploring possible secondary benefits of flavor ingredients, such as those relating to health and wellness. One step in this direction is the comprehensive characterization of the chemical structures contained in databases of flavoring substances. Herein, we report a comprehensive analysis of the recently updated FEMA GRAS list of flavoring substances (discrete chemical entities only. Databases of natural products, approved drugs and a large set of commercial molecules were used as references. Remarkably, natural products continue to be an important source of bioactive compounds for drug discovery and nutraceutical purposes. The comparison of five collections of compounds of interest was performed using molecular properties, rings, atom counts and structural fingerprints. It was found that the molecular size of the GRAS flavoring substances is, in general, smaller cf. members of the other databases analyzed. The lipophilicity profile of the GRAS database, a key property to predict human bioavailability, is similar to approved drugs. Several GRAS chemicals overlap to a broad region of the property space occupied by drugs. The GRAS list analyzed in this work has high structural diversity, comparable to approved drugs, natural products and libraries of screening compounds. This study represents one step towards the use of the distinctive features of the flavoring chemicals contained in the GRAS list and natural products to systematically search for compounds with potential health-related benefits.

  17. Chemoinformatic analysis of GRAS (Generally Recognized as Safe) flavor chemicals and natural products.

    Science.gov (United States)

    Medina-Franco, José L; Martínez-Mayorga, Karina; Peppard, Terry L; Del Rio, Alberto

    2012-01-01

    Food materials designated as "Generally Recognized as Safe" (GRAS) are attracting the attention of researchers in their attempts to systematically identify compounds with putative health-related benefits. In particular, there is currently a great deal of interest in exploring possible secondary benefits of flavor ingredients, such as those relating to health and wellness. One step in this direction is the comprehensive characterization of the chemical structures contained in databases of flavoring substances. Herein, we report a comprehensive analysis of the recently updated FEMA GRAS list of flavoring substances (discrete chemical entities only). Databases of natural products, approved drugs and a large set of commercial molecules were used as references. Remarkably, natural products continue to be an important source of bioactive compounds for drug discovery and nutraceutical purposes. The comparison of five collections of compounds of interest was performed using molecular properties, rings, atom counts and structural fingerprints. It was found that the molecular size of the GRAS flavoring substances is, in general, smaller cf. members of the other databases analyzed. The lipophilicity profile of the GRAS database, a key property to predict human bioavailability, is similar to approved drugs. Several GRAS chemicals overlap to a broad region of the property space occupied by drugs. The GRAS list analyzed in this work has high structural diversity, comparable to approved drugs, natural products and libraries of screening compounds. This study represents one step towards the use of the distinctive features of the flavoring chemicals contained in the GRAS list and natural products to systematically search for compounds with potential health-related benefits.

  18. Cancer and virus leads by HTS, chemical design and SEA data mining.

    Science.gov (United States)

    Thepchatri, Pahk; Min, Jaeki; Ganesh, Thota; Du, Yuhong; Lewis, Iestyn; Kurtkaya, Serdar; Prussia, Andrew; Li, Lian; Sneed, Blossom; Plemper, Richard K; Fu, Haian; Liotta, Dennis C; Snyder, James P; Dingledine, Raymond; Sun, Aiming

    2009-01-01

    A variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads and to accelerate the development of drug candidates. The Emory Chemical and Biology Discovery Center (ECBDC) has been an active participant in the NIH's high-throughput screening (HTS) endeavor to identify potent small molecule probes for poorly studied proteins. Several of Emory's projects relate to cancer or virus infection. We have chosen three successful examples including discovery of potent measles virus RNA-dependent RNA polymerase inhibitors, development of Heat Shock Protein 90 (Hsp90) blockers and identification of angiogenesis inhibitors using transgenic Zebrafish as a HTS model. In parallel with HTS, a unique component of the Emory virtual screening (VS) effort, namely, substructure enrichment analysis (SEA) program has been utilized in several cases.

  19. GAGA: A New Algorithm for Genomic Inference of Geographic Ancestry Reveals Fine Level Population Substructure in Europeans

    NARCIS (Netherlands)

    O. Lao Grueso (Oscar); F. Liu (Fan); A. Wollstein (Andreas); M.H. Kayser (Manfred)

    2014-01-01

    textabstractAttempts to detect genetic population substructure in humans are troubled by the fact that the vast majority of the total amount of observed genetic variation is present within populations rather than between populations. Here we introduce a new algorithm for transforming a genetic dista

  20. The structure and early evolution of massive star forming regions - Substructure in the infrared dark cloud SDC13

    CERN Document Server

    McGuire, Catherine; Peretto, Nicolas; Zhang, Qizhou; Traficante, Alessio; Avison, Adam; Jimenez-Serra, Izaskun

    2016-01-01

    Investigations into the substructure of massive star forming regions are essential for understanding the observed relationships between core mass distributions and mass distributions in stellar clusters, differentiating between proposed mechanisms of massive star formation. We study the substructure in the two largest fragments (i.e. cores) MM1 and MM2, in the infrared dark cloud complex SDC13. As MM1 appears to be in a later stage of evolution than MM2, comparing their substructure provides an insight in to the early evolution of massive clumps. We report the results of high resolution SMA dust continuum observations towards MM1 and MM2. Combining these data with Herschel observations, we carry out RADMC-3D radiative transfer modelling to characterise the observed substructure. SMA continuum data indicates 4 sub-fragments in the SDC13 region. The nature of the second brightest sub-fragment (B) is uncertain as it does not appear as prominent at the lower MAMBO resolution or at radio wavelengths. Statistical a...