WorldWideScience

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. 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. PMID:22035187

  3. Robustness analysis applied to substructure controller synthesis

    Science.gov (United States)

    Gonzalez-Oberdoerffer, Marcelo F.; Craig, Roy R., Jr.

    1993-01-01

    The stability and robustness of the controlled system obtained via the substructure control synthesis (SCS) method of Su et al. (1990) were examined using a six-bay truss model, and employing an LQG control design method to obtain controllers for two separate structures. It is found that the assembled controller provides a stability in this instance. A qualitative assessment of the stability robustness of the system with controller designed with the SCS method is provided by obtaining a controller using the complete truss model and comparing the robustness of the corresponding closed-loop systems.

  4. 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

  5. Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia

    OpenAIRE

    Ertl, Peter; Patiny, Luc; Sander, Thomas; Rufener, Christian; Zasso, Michaël

    2015-01-01

    Background Wikipedia, the world’s largest and most popular encyclopedia is an indispensable source of chemistry information. It contains among others also entries for over 15,000 chemicals including metabolites, drugs, agrochemicals and industrial chemicals. To provide an easy access to this wealth of information we decided to develop a substructure and similarity search tool for chemical structures referenced in Wikipedia. Results We extracted chemical structures from entries in Wikipedia an...

  6. An Efficient Crankshaft Dynamic Analysis Using Substructuring with Ritz Vectors

    Science.gov (United States)

    MOURELATOS, Z. P.

    2000-11-01

    A structural analysis using dynamic substructuring with Ritz vectors is presented for predicting the dynamic response of an engine crankshaft, based on the finite-element method. A two-level dynamic substructuring is performed using a set of load-dependent Ritz vectors. The rotating crankshaft is properly coupled with the non-rotating, compliant engine block. The block compliance is represented by a distributed linear elastic foundation at each main bearing location. The stiffness of the elastic foundation can be different in the vertical and horizontal planes, thereby considering the anisotropy of the engine block compliance with respect to the crankshaft rotation. The analysis accounts for the kinematic non-linearity resulting from the crankangle-dependent circumferential contact location between each journal and the corresponding bore of the engine block. Crankshaft “bent” and block “misboring” effects due to manufacturing imperfections are considered in the analysis. The superior accuracy and reduced computational effort of the present method as compared with the equivalent superelement analysis in MSC/NASTRAN, are demonstrated using the free and forced vibrations of a slender cylindrical beam and free vibrations of a four-cylinder engine crankshaft. Subsequently, the accuracy of the present method in calculating the dynamic response of engine crankshafts is shown through comparisons between the analytical predictions and experimental results for the torsional vibrations of an in-line five cylinder engine and the bending vibrations of the crankshaft-flywheel assembly of a V6 engine.

  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 substructure and inhomogeneous mixing in Local Group dwarf galaxies

    Science.gov (United States)

    Venn, K. A.

    Evidence for inhomogeneous mixing in the Carina, Draco, and Sculptor dwarf galaxies is examined from chemical abundance patterns. Inhomogeneous mixing at early times is indicated in the classical dwarf galaxies, though cannot be ascertained in ultra faint dwarfs. Mixing efficiencies can affect the early metallicity distribution function, the pre-enrichment levels in globular clusters, and also have an impact on the structure of dwarf systems at early times. Numerical models that include chemical evolution explicitly do a better job in reproducing the observations, and make interesting predictions for the nature of dwarf galaxies and their first stars at the earliest times.

  9. 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.

  10. Dynamic substructuring for shock spectrum analysis using component mode synthesis

    Science.gov (United States)

    Mcpheeters, Barton W.; Lev, Avivi; Bogert, Philip B.; Scavuzzo, Rudolph J.

    1988-01-01

    Component mode synthesis was used to analyze different types of structures with MSC NASTRAN. The theory and technique of using Multipoint Constraint Equations (MPCs) to connect substructures to each other or to a common foundation is presented. Computation of the dynamic response of the system from shack spectrum inputs was automated using the DMAP programming language of the MSC NASTRAN finite element code.

  11. 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.

  12. Substructure method of soil-structure interaction analysis for earthquake loadings (III)

    Energy Technology Data Exchange (ETDEWEB)

    Park, H. K.; Jo, Y. H.; Han, S. S.; Lee, S. C.; Jo, S. K.; Cho, I. B. [Univ. of Incheon, Incheon (Korea, Republic of)

    1995-06-15

    The objective of this study is to validate the reliability of substructure method for the soil-structure interaction system and to provide a reasonable seismic analysis procedure using substructure method. Dynamic behaviors and responses of Hualien large-scale seismic model were estimated using the substructure method for both the forced vibration test and the actual earthquake experienced. Substructure technique was verified to give reliable dynamic responses for the soil-structure interaction system through the comparison studies of the estimated and recorded responses of forced vibration tests and January '94 earthquake. However, the acceleration amplitudes of the earthquake for this study was not strong enough to induce clear nonlinearity of the system. Therefore, similar studies for more strong earthquakes which induce higher level nonlinearies are additionally necessary for the full-scope validation of the proposed method.

  13. Substructure method of soil-structure interaction analysis for earthquake loadings (III)

    International Nuclear Information System (INIS)

    The objective of this study is to validate the reliability of substructure method for the soil-structure interaction system and to provide a reasonable seismic analysis procedure using substructure method. Dynamic behaviors and responses of Hualien large-scale seismic model were estimated using the substructure method for both the forced vibration test and the actual earthquake experienced. Substructure technique was verified to give reliable dynamic responses for the soil-structure interaction system through the comparison studies of the estimated and recorded responses of forced vibration tests and January '94 earthquake. However, the acceleration amplitudes of the earthquake for this study was not strong enough to induce clear nonlinearity of the system. Therefore, similar studies for more strong earthquakes which induce higher level nonlinearies are additionally necessary for the full-scope validation of the proposed method

  14. A substructure analysis of the A3558 cluster complex

    OpenAIRE

    Bardelli, S.; Pisani, A; Ramella, M.; Zucca, E.; Zamorani, G.

    1998-01-01

    The "algorithm driven by the density estimate for the identification of clusters" (DEDICA, Pisani 1993, 1996) is applied to the A3558 cluster complex in order to find substructures. This complex, located at the center of the Shapley Concentration supercluster, is a chain formed by the ACO clusters A3556, A3558 and A3562 and the two poor clusters SC 1327-312 and SC 1329-313. We find a large number of clumps, indicating that strong dynamical processes are active. In particular, it is necessary ...

  15. Substructure methods of soil-structure interaction analysis for earthquake loadings

    Energy Technology Data Exchange (ETDEWEB)

    Park, H. K.; Cho, Y. H.; Im, B. Y. [University of Incheon, Incheon (Korea, Republic of); and others

    1993-07-15

    Structures, systems and components of nuclear safety-related systems are required to maintain their original safety functions during and after earthquakes. In consideration of these situations, a reasonable evaluation of soil-structure interaction behavior of the systems subjected to earthquake motions are becoming more critical factor for guaranteeing the safety of nuclear power plant. Current soil-structure interaction analysis techniques may be categorized into two major methods : the direct method and the substructure method. This study is on the first-phase research of the substructure method. This study covers general identification and formulation of the dynamic soil-structure interaction behaviors, and the preparation of analysis and application procedures which include the mathematical modeling technique for substructure method.

  16. Non-linear substructure approach for dynamic analysis of rigid-flexible multibody systems

    Science.gov (United States)

    Liu, A. Q.; Liew, K. M.

    1994-04-01

    This paper presents a substructure synthesis method (SSM) for nonlinear analysis of multibody systems. The detailed derivation of the equation of motion which takes into account the geometric nonlinear effects of large rotation undergoing small strain elastic deformation is presented. Using the substructure synthesis approach, the equation of motion is condensed through the boundary conditions at the interface between the flexible and rigid substructures. As a result, equations of motion for multi-flexible-body systems including the geometric non-linear effects of large rotation are derived. To demonstrate the applicability and accuracy of the proposed approach, an example of a two-link manipulator was chosen for this presentation. The results using the linear and nonlinear models are presented to highlight the effects of geometric nonlinearities.

  17. 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.

  18. Substructure methods of soil-structure interaction analysis for earthquake loadings(II)

    Energy Technology Data Exchange (ETDEWEB)

    Park, H. G.; Joe, Y. H.; Kim, T. H.; Joe, S. K.; Han, S. S.; Joe, I. B. [University of Incheon, Incheon (Korea, Republic of)

    1994-07-15

    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 limitations in application and does not always give reliable results especially for embedded structures or layered soil conditions. The objective of this study is to provide reasonable impedance function and validate the reliability of its application for the specific (unusual) conditions of soil-structure system. In this study, procedures of determining the impedance functions for specific conditions were provided both in closed-form and approximate approaches. Improved method for obtaining frequency-independent impedance function was suggested and showed its practical applicability through the case studies. The suggested method was also applied to Hualien model under the forced vibration and gave reasonable results. Some kind of sensitivity studies of the substructure method to the variation of shear wave velocity, Poisson's ratio, etc. are required in the future for further validation and broadening its applicability. Application of the method to the Hualien model under recorded earthquakes is also recommended for additional confirmation of its practicability.

  19. 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.

  20. 3dLOGO: a web server for the identification, analysis and use of conserved protein substructures.

    Science.gov (United States)

    Via, Allegra; Peluso, Daniele; Gherardini, Pier Federico; de Rinaldis, Emanuele; Colombo, Teresa; Ausiello, Gabriele; Helmer-Citterich, Manuela

    2007-07-01

    3dLOGO is a web server for the identification and analysis of conserved protein 3D substructures. Given a set of residues in a PDB (Protein Data Bank) chain, the server detects the matching substructure(s) in a set of user-provided protein structures, generates a multiple structure alignment centered on the input substructures and highlights other residues whose structural conservation becomes evident after the defined superposition. Conserved residues are proposed to the user for highlighting functional areas, deriving refined structural motifs or building sequence patterns. Residue structural conservation can be visualized through an expressly designed Java application, 3dProLogo, which is a 3D implementation of a sequence logo. The 3dLOGO server, with related documentation, is available at http://3dlogo.uniroma2.it/ PMID:17488847

  1. Soil-structure interaction analysis of NPP containments: substructure and frequency domain methods

    International Nuclear Information System (INIS)

    Substructure and frequency domain methods for soil-structure interaction are addressed in this paper. After a brief description of mathematical models for the soil and of excitation, the equations for dynamic soil-structure interaction are developed for a rigid surface foundation and for an embedded foundation. The equations for the frequency domain analysis of MDOF systems are provided. An example of soil-structure interaction analysis with frequency-dependent soil properties is given and examples of identification of foundation impedance functions and soil properties are presented. (orig.)

  2. Soil-structure interaction analysis of NPP containments: substructure and frequency domain methods

    Energy Technology Data Exchange (ETDEWEB)

    Venancio-Filho, F.; Almeida, M.C.F.; Ferreira, W.G. [Universidade Federal, Rio de Janeiro, RJ (Brazil); De Barros, F.C.P. [IME/CNEN, Pc. General Tiburcio, 80, 22290-270 Rio de Janeiro (Brazil)

    1997-10-01

    Substructure and frequency domain methods for soil-structure interaction are addressed in this paper. After a brief description of mathematical models for the soil and of excitation, the equations for dynamic soil-structure interaction are developed for a rigid surface foundation and for an embedded foundation. The equations for the frequency domain analysis of MDOF systems are provided. An example of soil-structure interaction analysis with frequency-dependent soil properties is given and examples of identification of foundation impedance functions and soil properties are presented. (orig.) 17 refs.

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

    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 ...

  4. Substructure method of soil-structure interaction analysis for earthquake loadings (IV)

    Energy Technology Data Exchange (ETDEWEB)

    Park, H. K.; Cho, Y. H.; Hong, Y. S.; Han, S. S.; Lee, S. C.; Cho, I. B.; Kim, S. J.; Kim, K. S.; Kim, K. B [Univ. of Incheon, Incheon (Korea, Republic of)

    1996-07-15

    Lately, the effects of soil-structure interaction by the flexibility of the base soil has become more important topic because of the increase of the possibility of constructing nuclear power plant on flexible base due to the shortage of potential plant sites. Substructure method has been preferably adopted for dynamic soil-structure interaction analysis because of its simplicity and economy in practical application. However, substructure method does not always give reliable results especially for embedded structures and/or layered soil conditions. In this study, computer program package LUMSSI which was developed in the prior phase of this multi-phase research project has been modified and improved to be more convenient for practical applicability. The LUMSSI has the capability of dynamic soil-structure interaction analysis in frequency domain of the lumped-parameter model. The verification of the program LUMSSI and the practical application of the time-domain analysis techniques have been obtained through the seismic analyses of the three different large-scale seismic test models in Hualien, Lotung and Tokyo Bay.

  5. Detailed analysis of Japanese population substructure with a focus on the southwest islands of Japan.

    Directory of Open Access Journals (Sweden)

    Takeshi Nishiyama

    Full Text Available Uncovering population structure is important for properly conducting association studies and for examining the demographic history of a population. Here, we examined the Japanese population substructure using data from the Japan Multi-Institutional Collaborative Cohort (J-MICC, which covers all but the northern region of Japan. Using 222 autosomal loci from 4502 subjects, we investigated population substructure by estimating F(ST among populations, testing population differentiation, and performing principal component analysis (PCA and correspondence analysis (CA. All analyses revealed a low but significant differentiation between the Amami Islanders and the mainland Japanese population. Furthermore, we examined the genetic differentiation between the mainland population, Amami Islanders and Okinawa Islanders using six loci included in both the Pan-Asian SNP (PASNP consortium data and the J-MICC data. This analysis revealed that the Amami and Okinawa Islanders were differentiated from the mainland population. In conclusion, we revealed a low but significant level of genetic differentiation between the mainland population and populations in or to the south of the Amami Islands, although genetic variation between both populations might be clinal. Therefore, the possibility of population stratification must be considered when enrolling the islander population of this area, such as in the J-MICC study.

  6. 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...

  7. Nonlinear seismic response analysis of embedded reactor buildings based on the substructure approach in time domain

    International Nuclear Information System (INIS)

    A practical method for elasto-plastic seismic response analysis is described under considerations of nonlinear material law of a structure and dynamic soil-structure interaction. The method is essentially based on the substructure approach of time domain analysis. Verification of the present method is carried out for typical BWR-MARK II type reactor building which is embedded in a soil, and the results are compared with those of the frequency response analysis which gives good accuracy for linear system. As a result, the present method exhibits sufficient accuracy. Furthermore, elasto-plastic analyses considering the soil-structure interaction are made as an application of the present method, and nonlinear behaviors of the structure and embedment effects are discussed. (orig.)

  8. On the use of attachment modes in substructure coupling for dynamic analysis

    Science.gov (United States)

    Craig, R. R., Jr.; Chang, C.-J.

    1977-01-01

    Substructure coupling or component-mode synthesis may be employed in the solution of dynamics problems for complex structures. Although numerous substructure-coupling methods have been devised, little attention has been devoted to methods employing attachment modes. In the present paper the various mode sets (normal modes, constraint modes, attachment modes) are defined. A generalized substructure-coupling procedure is described. Those substructure-coupling methods which employ attachment modes are described in detail. One of these methods is shown to lead to results (e.g., system natural frequencies) comparable to or better than those obtained by the Hurty (1965) method.

  9. 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...

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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. ...

  15. Analysis of the substructure within a complex magnetic cloud on 3–4 September 2008

    Directory of Open Access Journals (Sweden)

    K. Andreeova

    2013-03-01

    Full Text Available In this paper we have analyzed a substructure found within a leading part of a north–south-oriented magnetic cloud (MC observed on 3–4 September 2008 in the near-Earth solar wind by multiple spacecraft (ACE, Wind, THEMIS B and C. The MC was preceded by a stream interface (SI and followed by a high-speed stream (HSS. The identified substructure featured a strong depletion of suprathermal halo electrons and showed distinct magnetic field and plasma signatures. It occurred where suprathermal electron flow within a cloud changed from bidirectional to unidirectional, indicating change in the field line connectivity to the Sun. We found that the substructure maintained roughly its integrity from the first Lagrangian point to the vicinity of the Earth's bow shock in the front edge of the MC, but revealed small changes in the structure which could be explained either by temporal evolution or spatial configuration of the spacecraft.

  16. 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.

  17. 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...

  18. 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

    2016-01-01

    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.

  19. 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.)

  20. 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.

  1. Substructural controller synthesis

    Science.gov (United States)

    Su, Tzu-Jeng; Craig, Roy R., Jr.

    1989-01-01

    A decentralized design procedure which combines substructural synthesis, model reduction, decentralized controller design, subcontroller synthesis, and controller reduction is proposed for the control design of flexible structures. The structure to be controlled is decomposed into several substructures, which are modeled by component mode synthesis methods. For each substructure, a subcontroller is designed by using the linear quadratic optimal control theory. Then, a controller synthesis scheme called Substructural Controller Synthesis (SCS) is used to assemble the subcontrollers into a system controller, which is to be used to control the whole structure.

  2. 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.

  3. 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

  4. Chemical exchange program analysis.

    Energy Technology Data Exchange (ETDEWEB)

    Waffelaert, Pascale

    2007-09-01

    As part of its EMS, Sandia performs an annual environmental aspects/impacts analysis. The purpose of this analysis is to identify the environmental aspects associated with Sandia's activities, products, and services and the potential environmental impacts associated with those aspects. Division and environmental programs established objectives and targets based on the environmental aspects associated with their operations. In 2007 the most significant aspect identified was Hazardous Materials (Use and Storage). The objective for Hazardous Materials (Use and Storage) was to improve chemical handling, storage, and on-site movement of hazardous materials. One of the targets supporting this objective was to develop an effective chemical exchange program, making a business case for it in FY07, and fully implementing a comprehensive chemical exchange program in FY08. A Chemical Exchange Program (CEP) team was formed to implement this target. The team consists of representatives from the Chemical Information System (CIS), Pollution Prevention (P2), the HWMF, Procurement and the Environmental Management System (EMS). The CEP Team performed benchmarking and conducted a life-cycle analysis of the current management of chemicals at SNL/NM and compared it to Chemical Exchange alternatives. Those alternatives are as follows: (1) Revive the 'Virtual' Chemical Exchange Program; (2) Re-implement a 'Physical' Chemical Exchange Program using a Chemical Information System; and (3) Transition to a Chemical Management Services System. The analysis and benchmarking study shows that the present management of chemicals at SNL/NM is significantly disjointed and a life-cycle or 'Cradle-to-Grave' approach to chemical management is needed. This approach must consider the purchasing and maintenance costs as well as the cost of ultimate disposal of the chemicals and materials. A chemical exchange is needed as a mechanism to re-apply chemicals on site. This

  5. 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.

  6. 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 t...

  7. 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.

  8. Algebraic sub-structuring for electromagnetic applications

    International Nuclear Information System (INIS)

    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

  9. 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.

  10. 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.

  11. The Gaia-ESO Survey: Separating disk chemical substructures with cluster models. Evidence of a separate evolution in the metal-poor thin disk

    Science.gov (United States)

    Rojas-Arriagada, A.; Recio-Blanco, 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.

    2016-02-01

    Context. Recent spectroscopic surveys have begun to explore the Galactic disk system on the basis of large data samples, with spatial distributions sampling regions well outside the solar neighborhood. In this way, they provide valuable information for testing spatial and temporal variations of disk structure kinematics and chemical evolution. Aims: The main purposes of this study are to demonstrate the usefulness of a rigorous mathematical approach to separate substructures of a stellar sample in the abundance-metallicity plane, and provide new evidence with which to characterize the nature of the metal-poor end of the thin disk sequence. Methods: We used a Gaussian mixture model algorithm to separate in the [Mg/Fe] vs. [Fe/H] plane a clean disk star subsample (essentially at RGC -0.25 dex) highlight a change in the slope at solar metallicity. This holds true at different radial regions of the Milky Way. The distribution of Galactocentric radial distances of the metal-poor part of the thin disk ([Fe/H] levels might be due to their origin from gas pre-enriched by outflows from the thick disk or the inner halo. The smooth trends of their properties (their spatial distribution with respect to the plane, in particular) with [Fe/H] and [Mg/Fe] suggested by the data indicates a quiet dynamical evolution, with no relevant merger events. Based on data products from observations made with ESO Telescopes at the La Silla Paranal Observatory under programme ID 188.B-3002. These data products have been processed by the Cambridge Astronomy Survey Unit (CASU) at the Institute of Astronomy, University of Cambridge, and by the FLAMES/UVES reduction team at INAF/Osservatorio Astrofisico di Arcetri. These data have been obtained from the Gaia-ESO Survey Data Archive, prepared and hosted by the Wide Field Astronomy Unit, Institute for Astronomy, University of Edinburgh, which is funded by the UK Science and Technology Facilities Council.

  12. 储液罐子结构数值仿真分析%Liquid Storage Tanks Substructure Numerical Simulation Analysis

    Institute of Scientific and Technical Information of China (English)

    周利剑; 范远刚; 高斌; 单明康; 王向英

    2013-01-01

    由于有限元仿真需要假设材料性能,难以真实全面的反映储液罐的地震响应;而振动台试验只能完成较小比例的模型试验,与储罐原型差距很大.为此,提出了储液罐子结构振动台试验方法.采用Malhotra力学模型,将储液罐划分为试验子结构(罐底和土体)和数值子结构(储罐和液体)两部分.试验子结构放在地震模拟振动台上进行试验研究,数值子结构部分由计算机进行模拟.仿真计算表明:储液罐子结构仿真结果与全结构的非常吻合,仿真计算的储罐基底剪力与规范算法接近.%Due to the finite element simulation assume that the material properties,difficult to truly comprehensive the seismic response of the liquid storage tanks is reflected.And the shaking table test can only complete a small scale model test,a large gap with the tank prototype.To this end,a method of the liquid storage tanks substructure shaking table test is proposed,used the Malhotra simplified model,the liquid storage tank is divided into the experimental substructure (the bottom of the tank and soil) and the numerical sub-structures (storage tanks and liquid) in two parts.The experimental substructure on earthquake simulation shaking table test,the numerical substructure in part by computer simulation are put out.Simulation results show that:liquid tank sub-structure simulation results are in good agreement with the whole structure and the tank base shear simulation is close with the specification algorithm.

  13. Chemical process hazards analysis

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-02-01

    The Office of Worker Health and Safety (EH-5) under the Assistant Secretary for the Environment, Safety and Health of the US Department (DOE) has published two handbooks for use by DOE contractors managing facilities and processes covered by the Occupational Safety and Health Administration (OSHA) Rule for Process Safety Management of Highly Hazardous Chemicals (29 CFR 1910.119), herein referred to as the PSM Rule. The PSM Rule contains an integrated set of chemical process safety management elements designed to prevent chemical releases that can lead to catastrophic fires, explosions, or toxic exposures. The purpose of the two handbooks, ``Process Safety Management for Highly Hazardous Chemicals`` and ``Chemical Process Hazards Analysis,`` is to facilitate implementation of the provisions of the PSM Rule within the DOE. The purpose of this handbook ``Chemical Process Hazards Analysis,`` is to facilitate, within the DOE, the performance of chemical process hazards analyses (PrHAs) as required under the PSM Rule. It provides basic information for the performance of PrHAs, and should not be considered a complete resource on PrHA methods. Likewise, to determine if a facility is covered by the PSM rule, the reader should refer to the handbook, ``Process Safety Management for Highly Hazardous Chemicals`` (DOE- HDBK-1101-96). Promulgation of the PSM Rule has heightened the awareness of chemical safety management issues within the DOE. This handbook is intended for use by DOE facilities and processes covered by the PSM rule to facilitate contractor implementation of the PrHA element of the PSM Rule. However, contractors whose facilities and processes not covered by the PSM Rule may also use this handbook as a basis for conducting process hazards analyses as part of their good management practices. This handbook explains the minimum requirements for PrHAs outlined in the PSM Rule. Nowhere have requirements been added beyond what is specifically required by the rule.

  14. Search for vector-like T' quarks using tools for the analysis of jet substructure with the CMS experiment

    International Nuclear Information System (INIS)

    A search for pairs of vector-like T' quark produced in proton-proton collisions recorded with the CMS experiment at √(s)=8 TeV is presented. The search is optimized for decays of T' quarks to top quarks and Higgs bosons, where the top quarks and Higgs bosons decay hadronically. The T'-quark mass range between 500 and 1000 GeV is investigated. The top quarks and Higgs bosons produced in decays of the heavy T' quarks acquire large Lorentz boosts. The signatures of these particles in the detector can overlap and are therefore difficult to resolve using classical jet reconstruction methods. Large-radius jets are reconstructed and subjets formed from their constituents. The decay products of particles with large Lorentz boosts are highly collimated and can all be found within a single one of these large-radius jets. Top jets containing hadronic top-quark decays are identified with a top-tagging algorithm that analyzes the jet substructure. A b-tagging algorithm is applied to the reconstructed subjets in order to find bottom quarks within the jet substructure. In order to identify Higgs bosons with large Lorentz boosts decaying to pairs of bottom quarks, the Higgs-tagging algorithm searches for two b-tagged subjets within a single jet. This is the first application of a top-tagging algorithm in conjunction with subjet b-tagging in an analysis of CMS data. Also, a Higgs-tagging algorithm is used for the first time in a search for new physics. The main background contributions to this analysis consist of pair-produced top quarks and QCD-multijet events. More than 99% of these events are rejected by the event selection based on the new jet-substructure methods, while 6-8% of the signal events are retained. A description for the QCD-multijet background is obtained from data in a method also using jet-substructure information. Bayesian exclusion limits are derived from a likelihood ratio in which two discriminating variables are combined. T' quarks

  15. 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.

  16. Radiometric chemical analysis

    International Nuclear Information System (INIS)

    The radiometric method of analysis is noted for its sensitivity and its simplicity in both apparatus and procedure. A few inexpensive radioactive reagents permit the analysis of a wide variety of chemical elements and compounds. Any particular procedure is generally applicable over a very wide range of concentrations. It is potentially an analytical method of great industrial significance. Specific examples of analyses are cited to illustrate the potentialities of ordinary equipment. Apparatus specifically designed for radiometric chemistry may shorten the time required, and increase the precision and accuracy for routine analyses. A sensitive and convenient apparatus for the routine performance of radiometric chemical analysis is a special type of centrifuge which has been used in obtaining the data presented in this paper. The radioactivity of the solution is measured while the centrifuge is spinning. This device has been used as the basis for an automatic analyser for phosphate ion, programmed to follow a sequence of unknown sampling, reagent mixing, centrifugation, counting data presentation, and phosphate replenishment. This analyser can repeatedly measure phosphate-concentration in the range of 5 to 50 ppm with an accuracy of ±5%. (author)

  17. 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.

  18. Substructure of Boosted Jets

    CERN Document Server

    Duchovni, Ehud

    2013-01-01

    Jets with transverse energy of few TeV are becoming now common in LHC data. Most of these jets are produced by QCD processes and some from the collimated decay of highly boosted objects like W, Z, H0 and top-quark. The study of such QCD jets may shed light on QCD showering processes and the identification of the jets coming from decays may test the Standard Model under extreme conditions and may also provide the first hints for Physics Beyond the Standard Model. A short review of jet algorithms, Correction procedures for pile-up effects and commonly used substructure observables are described.

  19. 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.

  20. Lomustine Analogous Drug Structures for Intervention of Brain and Spinal Cord Tumors: The Benefit of In Silico Substructure Search and Analysis

    Directory of Open Access Journals (Sweden)

    Ronald Bartzatt

    2013-01-01

    Full Text Available Lomustine is a nitrosourea anticancer agent shown to be effective for treatment of childhood medulloblastoma. In silico substructure searches produced 17 novel nitrosourea agents analogous to lumustine and retaining activity for DNA alkylation and cytotoxic activity. The mean values for Log P, polar surface area, formula weight, number of oxygens & nitrogens, and rotatable bonds were 2.524, 62.89 Anstroms2, 232.8, 5, and 2, respectively. All 17 agents have formula weight less than 450 and Log P less than 5, two criteria preferred for blood-brain barrier penetration. These agents have a polar surface area less than 90 Angstroms2. Each show zero violations of the Rule of five indicating favorable drug likeness and oral drug activity. Hierarchical cluster analysis indicated that 16 of the novel agents were highly similar to lomustine, save for agent 12 which bears a hydroxylated branched carbon substituent. A total of 17 novel anticancer agents were elucidated having molecular properties very effective for penetrating through the BBB and into the central nervous system. This study shows the effectiveness of in silico search and recognition of anticancer agents that are suitable for the clinical treatment of brain tumors.

  1. 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...

  2. Microprocessors in automatic chemical analysis

    International Nuclear Information System (INIS)

    Application of microprocessors to programming and computing of solutions chemical analysis by a sequential technique is examined. Safety, performances reliability are compared to other methods. An example is given on uranium titration by spectrophotometry

  3. Analysis of Polymorphisms in the Merozoite Surface Protein-3a Gene and Two Microsatellite Loci in Sri Lankan Plasmodium vivax: Evidence of Population Substructure in Sri Lanka

    DEFF Research Database (Denmark)

    Schousboe, Mette L; Rajakaruna, Rupika S; Amerasinghe, Priyanie H;

    2011-01-01

    Abstract. The geographical distribution of genetic variation in Plasmodium vivax samples (N = 386) from nine districts across Sri Lanka is described using three markers; the P. vivax merozoite surface protein-3a (Pvmsp-3a) gene, and the two microsatellites m1501 and m3502. At Pvmsp-3a, 11 alleles....... The results show evidence of high genetic diversity and possible population substructure of P. vivax populations in Sri Lanka....

  4. Substructuring and Component Mode Synthesis

    Directory of Open Access Journals (Sweden)

    P. Seshu

    1997-01-01

    Full Text Available Substructuring and component mode synthesis (CMS, is a very popular method of model reduction for large structural dynamics problems. Starting from the pioneering works on this technique in the early 1960s, many researchers have studied and used this technique in a variety of applications. Besides model reduction, CMS offers several other crucial advantages. The present work aims to provide a review of the available literature on this important technique.

  5. Substructuring and Component Mode Synthesis

    OpenAIRE

    Seshu, P.

    1997-01-01

    Substructuring and component mode synthesis (CMS), is a very popular method of model reduction for large structural dynamics problems. Starting from the pioneering works on this technique in the early 1960s, many researchers have studied and used this technique in a variety of applications. Besides model reduction, CMS offers several other crucial advantages. The present work aims to provide a review of the available literature on this important technique.

  6. 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.

  7. 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.

  8. Chemical Analysis of Single Cells

    Science.gov (United States)

    Borland, Laura M.; Kottegoda, Sumith; Phillips, K. Scott; Allbritton, Nancy L.

    2008-07-01

    Chemical analysis of single cells requires methods for quickly and quantitatively detecting a diverse array of analytes from extremely small volumes (femtoliters to nanoliters) with very high sensitivity and selectivity. Microelectrophoretic separations, using both traditional capillary electrophoresis and emerging microfluidic methods, are well suited for handling the unique size of single cells and limited numbers of intracellular molecules. Numerous analytes, ranging from small molecules such as amino acids and neurotransmitters to large proteins and subcellular organelles, have been quantified in single cells using microelectrophoretic separation techniques. Microseparation techniques, coupled to varying detection schemes including absorbance and fluorescence detection, electrochemical detection, and mass spectrometry, have allowed researchers to examine a number of processes inside single cells. This review also touches on a promising direction in single cell cytometry: the development of microfluidics for integrated cellular manipulation, chemical processing, and separation of cellular contents.

  9. 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。

  10. The Cluster Substructure - Alignment Connection

    CERN Document Server

    Plionis, M

    2002-01-01

    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 a hierarchical fashion by anisotropy merging along the large-scale filamentary superclusters within which they are embedded.

  11. The Substructure-Alignment Connection

    CERN Document Server

    Plionis, M; Plionis, Manolis; Basilakos, Spyros

    2001-01-01

    Using a sample of 903 APM clusters we investigate whether their dynamical status, as evidenced by the presence of significant substructures, is related to the large-scale structure of the Universe. We find that the cluster dynamical activity 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 active clusters are more clustered than the overall cluster population. These are strong indications that clusters develop in a hierarchical fashion by anisotropic merging along the large-scale filaments within which they are embedded.

  12. Substructure Shaking Table Test Simulation Analysis of Liquid Storage Tanks%储液罐子结构振动台试验仿真分析

    Institute of Scientific and Technical Information of China (English)

    周利剑; 范远刚; 高斌; 单明康; 王向英

    2013-01-01

    It is difficult to truly reflect the seismic response of the liquid storage tanks by the finite ele -ment simulation due to simplification of material properties .And the shaking table can only complete small scale model tests,the obtained results may quite different with what of the tank prototype .To this end,a method of the liquid storage tanks substructure shaking table test was proposed ,using the Malhotra simpli-fied model,the liquid storage tank is divided into two parts i .e.the experimental substructure and the nu -merical substructure.MATLAB program is used to simulate and analyze the liquid storage tank substruc -ture shaking table test.The results are in good agreement with what of the whole structure .The obtained tank base shear force is close with what of the specification algorithm .%  由于有限元仿真需要假设材料性能,难以真实全面地反映储液罐的地震响应;而振动台试验只能完成较小比例的模型试验,与储罐原型差距很大。为此,提出了储液罐子结构振动台试验方法,采用 Malhotra 力学模型,将储液罐划分为试验子结构和数值子结构两部分。运用 MATLAB 程序对储液罐子结构振动台试验进行了仿真试验分析。仿真计算表明:储液罐子结构仿真结果与全结构的计算结果有较好的吻合性,仿真计算的储罐基底剪力与规范算法接近。

  13. Probabilistic Component Mode Synthesis of Nondeterministic Substructures

    Science.gov (United States)

    Brown, Andrew M.; Ferri, Aldo A.

    1996-01-01

    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. We present 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.

  14. 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.

  15. Tracing the Cosmic Web substructure with Lagrangian submanifold

    OpenAIRE

    Shandarin, Sergei F.; Medvedev, Mikhail V.

    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 represent...

  16. Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs.

    Science.gov (United States)

    Gardiner, Eleanor J; Gillet, Valerie J; Willett, Peter; Cosgrove, David A

    2007-01-01

    Chemical databases are routinely clustered, with the aim of grouping molecules which share similar structural features. Ideally, medicinal chemists are then able to browse a few representatives of the cluster in order to interpret the shared activity of the cluster members. However, when molecules are clustered using fingerprints, it may be difficult to decipher the structural commonalities which are present. Here, we seek to represent a cluster by means of a maximum common substructure based on the shared functionality of the cluster members. Previously, we have used reduced graphs, where each node corresponds to a generalized functional group, as topological molecular descriptors for virtual screening. In this work, we precluster a database using any clustering method. We then represent the molecules in a cluster as reduced graphs. By repeated application of a maximum common edge substructure (MCES) algorithm, we obtain one or more reduced graph cluster representatives. The sparsity of the reduced graphs means that the MCES calculations can be performed in real time. The reduced graph cluster representatives are readily interpretable in terms of functional activity and can be mapped directly back to the molecules to which they correspond, giving the chemist a rapid means of assessing potential activities contained within the cluster. Clusters of interest are then subject to a detailed R-group analysis using the same iterated MCES algorithm applied to the molecular graphs. PMID:17309248

  17. 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.

  18. 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.

  19. The evolution of substructure II: linking dynamics to environment

    CERN Document Server

    Gill, S P D; Gibson, B K; Dopita, M A

    2004-01-01

    We present results from a series of high-resolution N-body simulations that focus on the formation and evolution of eight dark matter halos, each of order a million particles within the virial radius. We follow the time evolution of hundreds of satellite galaxies with unprecedented time resolution, relating their physical properties to the differing halo environmental conditions. The self-consistent cosmological framework in which our analysis was undertaken allows us to explore satellite disruption within live host potentials, a natural complement to earlier work conducted within static potentials. Our host halos were chosen to sample a variety of formation histories, ages, and triaxialities; despite their obvious differences, we find striking similarities within the associated substructure populations. Namely, all satellite orbits follow nearly the same eccentricity distribution with a correlation between eccentricity and pericentre. We also find that the destruction rate of the substructure population is n...

  20. 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.

  1. 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.

  2. 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.

  3. 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...

  4. 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...

  5. 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

  6. Chemical analysis of high purity graphite

    International Nuclear Information System (INIS)

    The Sub-Committee on Chemical Analysis of Graphite was organized in April 1989, under the Committee on Chemical Analysis of Nuclear Fuels and Reactor Materials, JAERI. The Sub-Committee carried out collaborative analyses among eleven participating laboratories for the certification of the Certified Reference Materials (CRMs), JAERI-G5 and G6, after developing and evaluating analytical methods during the period of September 1989 to March 1992. The certified values were given for ash, boron and silicon in the CRM based on the collaborative analysis. The values for ten elements (Al, Ca, Cr, Fe, Mg, Mo, Ni, Sr, Ti, V) were not certified, but given for information. Preparation, homogeneity testing and chemical analyses for certification of reference materials were described in this paper. (author) 52 refs

  7. Spectroscopic chemical analysis methods and apparatus

    Science.gov (United States)

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

    2013-01-01

    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. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection 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.

  8. 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

  9. Service activities of chemical analysis division

    International Nuclear Information System (INIS)

    Progress of the Division during the year of 1988 was described on the service activities for various R and D projects carrying out in the Institute, for the fuel fabrication and conversion plant, and for the post-irradiation examination facility. Relevant analytical methodologies developed for the chemical analysis of an irradiated fuel, safeguards chemical analysis, and pool water monitoring were included such as chromatographic separation of lanthanides, polarographic determination of dissolved oxygen in water, and automation on potentiometric titration of uranium. Some of the laboratory manuals revised were also included in this progress report. (Author)

  10. Stress Analysis on Complex Node of Overrun Structure Based on the Substructure Method by ABAQUS Software%基于ABAQUS子结构法对超限高层复杂节点的应力分析

    Institute of Scientific and Technical Information of China (English)

    王雨生; 王曙光; 王滋军; 杜东升; 何静姿

    2012-01-01

    The force performance of the complex node in overrun high-rise structure is studied. Based on the substructure method of ABAQUS finite element software, the whole model and the fine model of the complex node are set up in one project. In the whole model, the fiber model is developed to beam-column elements, and the plastic damage model is used to shear wall. In the fine model of the complex node, the plastic damage model is used to solid elements, the metal double linear dynamic hardening model is used to steel and reinforcement. The complex nodes use two kinds of structure's form: steel reinforced concrete and steel tube's concrete. The displacement boundary conditions under the cases of small earthquakes, middle seismic and strong earthquakes of the complex node are exlraclcil from the whole model by the substructure method. It is the time to run the finite element analysis of the fine model of the complex node in ABAQUS and it will obtain the analysis result. The results show that the largest compressive strain of concrete has been more than standard limits under the strong earthquakes. Steel and reinforcement have already been in the inelastic phase, but not more than their limit strain, so the nodes are still in the secure stage. Which kind of node is more advantageous is quite clear through the analysis and comparison. This can provide some references for the design of the complex node in the overrun high-rise structure.%采用子结构方法研究超限高层建筑复杂节点的受力性能.基于ABAQUS有限元软件子结构方法,建立某超限高层的整体模型和复杂节点的精细模型,整体模型梁柱单元采用开发的纤维模型,剪力墙采用塑性损伤模型;复杂节点的精细模型中,实体单元采用混疑土塑性损伤模型,钢筋与型钢采用采用双线性动力硬化模型,该复杂节点采用两种结构形式:型钢混凝土结构和钢管混凝土结构.通过子结构方法提取整体模型中复杂节点处

  11. 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.

  12. 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.

  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. 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...

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Precision Jet Substructure from Boosted Event Shapes

    CERN Document Server

    Feige, Ilya; Stewart, Iain; Thaler, Jesse

    2012-01-01

    Jet substructure has emerged as a critical tool for LHC searches, but studies so far have relied heavily on shower Monte Carlos, which formally approximate QCD at leading-log level. We demonstrate that systematic higher-order QCD computations of jet substructure can be carried out by boosting global event shapes by a large momentum Q, and accounting for effects due to finite jet size, initial state radiation (ISR), and underlying event (UE) as 1/Q corrections. In particular, we compute the 2-subjettiness substructure distribution for boosted Z -> q qbar events at the LHC at next-to-next-to-next-to-leading log order. The calculation is greatly simplified by recycling known results for the thrust distribution in e+ e- collisions. The 2-subjettiness distribution quickly saturates, becoming Q independent for Q > 400 GeV. Crucially, the effects of jet contamination from ISR/UE can be subtracted out analytically at large Q, without knowing their detailed form. Amusingly, the Q=infinity and Q=0 distributions are rel...

  20. 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 ...

  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. Mass Substructure in Abell 3128

    CERN Document Server

    McCleary, Jacqueline; Huwe, Paul

    2015-01-01

    We perform a detailed 2-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 PSF which 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 pro...

  3. Chemical detection, identification, and analysis system

    International Nuclear Information System (INIS)

    The chemical detection, identification, and analysis system (CDIAS) has three major goals. The first is to display safety information regarding chemical environment before personnel entry. The second is to archive personnel exposure to the environment. Third, the system assists users in identifying the stage of a chemical process in progress and suggests safety precautions associated with that process. In addition to these major goals, the system must be sufficiently compact to provide transportability, and it must be extremely simple to use in order to keep user interaction at a minimum. The system created to meet these goals includes several pieces of hardware and the integration of four software packages. The hardware consists of a low-oxygen, carbon monoxide, explosives, and hydrogen sulfide detector; an ion mobility spectrometer for airborne vapor detection; and a COMPAQ 386/20 portable computer. The software modules are a graphics kernel, an expert system shell, a data-base management system, and an interface management system. A supervisory module developed using the interface management system coordinates the interaction of the other software components. The system determines the safety of the environment using conventional data acquisition and analysis techniques. The low-oxygen, carbon monoxide, hydrogen sulfide, explosives, and vapor detectors are monitored for hazardous levels, and warnings are issued accordingly

  4. Analysis of Chemical Technology Division waste streams

    International Nuclear Information System (INIS)

    This document is a summary of the sources, quantities, and characteristics of the wastes generated by the Chemical Technology Division (CTD) of the Oak Ridge National Laboratory. The major contributors of hazardous, mixed, and radioactive wastes in the CTD as of the writing of this document were the Chemical Development Section, the Isotopes Section, and the Process Development Section. The objectives of this report are to identify the sources and the summarize the quantities and characteristics of hazardous, mixed, gaseous, and solid and liquid radioactive wastes that are generated by the Chemical Technology Division (CTD) of the Oak Ridge National Laboratory (ORNL). This study was performed in support of the CTD waste-reduction program -- the goals of which are to reduce both the volume and hazard level of the waste generated by the division. Prior to the initiation of any specific waste-reduction projects, an understanding of the overall waste-generation system of CTD must be developed. Therefore, the general approach taken in this study is that of an overall CTD waste-systems analysis, which is a detailed presentation of the generation points and general characteristics of each waste stream in CTD. The goal of this analysis is to identify the primary waste generators in the division and determine the most beneficial areas to initiate waste-reduction projects. 4 refs., 4 figs., 13 tabs

  5. Drugs, structures, fragments : substructure-based approaches to GPCR drug discovery and design

    NARCIS (Netherlands)

    Horst, Eelke van der

    2012-01-01

    This thesis is all about cheminformatics, and its impact on drug discovery. A number of strategies are discussed that apply computational methods for the analysis and design of G protein-coupled receptor (GPCR) ligands. Frequent substructure mining is applied to find the common structural motifs tha

  6. 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...

  7. Jacket Substructure Fatigue Mitigation through Active Control

    DEFF Research Database (Denmark)

    Hanis, Tomas; Natarajan, Anand

    2014-01-01

    to the fatigue design loads on the braces of the jacket. Since large wind turbines of 10MW rating have low rotor speeds (p), the modal frequencies of the sub structures approach 3p at low wind speeds, which leads to a modal coupling and resonance. Therefore an active control system is developed which provides...... sufficient structural damping and consequently a fatigue reduction at the substructure. The resulting reduction in fatigue design loads on the jacket structure based on the active control system is presented....

  8. The LabelHash algorithm for substructure matching

    Directory of Open Access Journals (Sweden)

    Bryant Drew H

    2010-11-01

    Full Text Available Abstract Background There is an increasing number of proteins with known structure but unknown function. Determining their function would have a significant impact on understanding diseases and designing new therapeutics. However, experimental protein function determination is expensive and very time-consuming. Computational methods can facilitate function determination by identifying proteins that have high structural and chemical similarity. Results We present LabelHash, a novel algorithm for matching substructural motifs to large collections of protein structures. The algorithm consists of two phases. In the first phase the proteins are preprocessed in a fashion that allows for instant lookup of partial matches to any motif. In the second phase, partial matches for a given motif are expanded to complete matches. The general applicability of the algorithm is demonstrated with three different case studies. First, we show that we can accurately identify members of the enolase superfamily with a single motif. Next, we demonstrate how LabelHash can complement SOIPPA, an algorithm for motif identification and pairwise substructure alignment. Finally, a large collection of Catalytic Site Atlas motifs is used to benchmark the performance of the algorithm. LabelHash runs very efficiently in parallel; matching a motif against all proteins in the 95% sequence identity filtered non-redundant Protein Data Bank typically takes no more than a few minutes. The LabelHash algorithm is available through a web server and as a suite of standalone programs at http://labelhash.kavrakilab.org. The output of the LabelHash algorithm can be further analyzed with Chimera through a plugin that we developed for this purpose. Conclusions LabelHash is an efficient, versatile algorithm for large-scale substructure matching. When LabelHash is running in parallel, motifs can typically be matched against the entire PDB on the order of minutes. The algorithm is able to identify

  9. 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.

  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 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...

  12. 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...

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

    Science.gov (United States)

    Thomas, Guillaume F.; Ibata, R.; Famaey, B.; Martin, N. F.; Lewis, G. F.

    2016-08-01

    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-fitting 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 thus mostly unrelated to these epicyclic motions. This analysis suggests that the majority of the previously detected substructures along the tidal tail of Palomar 5 are artefacts of observational inhomogeneities.

  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. Substructuring and poroelastic modelling of the intervertebral disc.

    Science.gov (United States)

    Swider, P; Pédrono, A; Ambard, D; Accadbled, F; Sales de Gauzy, J

    2010-05-01

    We proposed a substructure technique to predict the time-dependant response of biological tissue within the framework of a finite element resolution. Theoretical considerations in poroelasticity preceded the calculation of the sub-structured poroelastic matrix. The transient response was obtained using an exponential fitting method. We computed the creep response of an MRI 3D reconstructed L(5)-S(1) intervertebral disc of a scoliotic spine. The FE model was reduced from 10,000 degrees of freedom for the full 3D disc to only 40 degrees of freedom for the sub-structured model defined by 10 nodes attached to junction nodes located on both lower and upper surfaces of the disc. Comparisons of displacement fields were made between the full poroelastic FE model and the sub-structured model in three different loading conditions: compression, offset compression and torsion. Discrepancies in displacement were lower than 10% for the first time steps when time-dependant events were significant. The substructuring technique provided an exact solution in quasi-static behavior after pressure relaxation. Couplings between vertical and transversal displacements predicted by the reference FE model were well stored by the sub-structured model despite the drastic reduction of degrees of freedom. Finally, we demonstrated that substructuring was very efficient to reduce the size of numerical models while respecting the time-dependant behavior of the structure. This result highlighted the potential interest of substructure techniques in large-scale models of musculoskeletal structures. PMID:20170917

  16. Fast Construction of Plant Architectural Models Based on Substructure Decomposition

    Institute of Scientific and Technical Information of China (English)

    YAN HongPing (严红平); Philippe de Reffye; PAN ChunHong (潘春洪); HU BaoGang (胡包钢)

    2003-01-01

    Plant structure, representing the physical link among different organs, includes many similar substructures. In this paper, a new method is presented to construct plant architectural models of most plant species. The plant structure is decomposed into a stem, a set of lateral substructures and a terminal substructure, which is called substructure decomposition; then based on substructure decomposition, the plant structures are expressed in an iterative way; and further the derivative formula is employed to compute the number of organs in plant structures to get the geometrical sizes of 3D plant organs by borrowing Hydraulic Model. Using 3D organs, a substructure library is built. Based on the substructures stored in substructure library, one can construct 3D plant structure according to certain topological and geometrical rules. The experiments with different plant species are included in this paper to demonstrate the validity of the new method for constructing plant structures. The experimental results show that the approach follows botanical knowledge with high efficiency in constructing plant structures of most plant species. In addition,this method enables users to check the detail information of plant structure.

  17. Support Substructures: Support-Induced Part-Level Structural Representation.

    Science.gov (United States)

    Huang, Shi-Sheng; Fu, Hongbo; Wei, Ling-Yu; Hu, Shi-Min

    2016-08-01

    In this work we explore a support-induced structural organization of object parts. We introduce the concept of support substructures, which are special subsets of object parts with support and stability. A bottom-up approach is proposed to identify such substructures in a support relation graph. We apply the derived high-level substructures to part-based shape reshuffling between models, resulting in nontrivial functionally plausible model variations that are difficult to achieve with symmetry-induced substructures by the state-of-the-art methods. We also show how to automatically or interactively turn a single input model to new functionally plausible shapes by structure rearrangement and synthesis, enabled by support substructures. To the best of our knowledge no single existing method has been designed for all these applications. PMID:26336128

  18. Exploring Dark Matter with Milky Way substructure

    CERN Document Server

    Kuhlen, M; Silk, J

    2009-01-01

    The unambiguous detection of Galactic dark matter annihilation would unravel one of the most outstanding puzzles in particle physics and cosmology. Recent observations have motivated models in which the annihilation rate is boosted by the Sommerfeld effect, a non-perturbative enhancement arising from a long range attractive force. Here we apply the Sommerfeld correction to Via Lactea II, a high resolution N-body simulation of a Milky-Way-size galaxy, to investigate the phase-space structure of the Galactic halo. We show that the annihilation luminosity from kinematically cold substructure can be enhanced by orders of magnitude relative to previous calculations, leading to the prediction of gamma-ray fluxes from up to hundreds of dark clumps that should be detectable by the Fermi satellite.

  19. Exploring Dark Matter with Milky Way Substructure

    Science.gov (United States)

    Kuhlen, Michael; Madau, Piero; Silk, Joseph

    2009-08-01

    The unambiguous detection of dark matter annihilation in our Galaxy would unravel one of the most outstanding puzzles in particle physics and cosmology. Recent observations have motivated models in which the annihilation rate is boosted by the Sommerfeld effect, a nonperturbative enhancement arising from a long-range attractive force. We applied the Sommerfeld correction to Via Lactea II, a high-resolution N-body simulation of a Milky Way-sized galaxy, to investigate the phase-space structure of the galactic halo. We found that the annihilation luminosity from kinematically cold substructure could be enhanced by orders of magnitude relative to previous calculations, leading to the prediction of gamma-ray fluxes from as many as several hundred dark clumps that should be detectable by the Fermi satellite.

  20. Dark matter substructure and dwarf galactic satellites

    CERN Document Server

    Kravtsov, Andrey V

    2009-01-01

    A decade ago cosmological simulations of increasingly higher resolution were used to demonstrate that virialized regions of Cold Dark Matter (CDM) halos are filled with a multitude of dense, gravitationally-bound clumps. These dark matter subhalos are central regions of halos that survived strong gravitational tidal forces and dynamical friction during the hierarchical sequence of merging and accretion via which the CDM halos form. Comparisons with observations revealed that there is a glaring discrepancy between abundance of subhalos and luminous satellites of the Milky Way and Andromeda as a function of their circular velocity or bound mass within a fixed aperture. This large discrepancy, which became known as the ``substructure'' or the ``missing satellites'' problem, begs for an explanation. In this paper I review the progress made during the last several years both in quantifying the problem and in exploring possible scenarios in which it could be accommodated and explained in the context of galaxy forma...

  1. 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.

  2. Chemical abundance analysis of 19 barium stars

    Science.gov (United States)

    Yang, Guo-Chao; Liang, Yan-Chun; Spite, Monique; Chen, Yu-Qin; Zhao, Gang; Zhang, Bo; Liu, Guo-Qing; Liu, Yu-Juan; Liu, Nian; Deng, Li-Cai; Spite, Francois; Hill, Vanessa; Zhang, Cai-Xia

    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 Teff, surface gravities log g, metallicity [Fe/H] and microturbulence velocity ξt) and equivalent widths of stellar absorption lines. These samples of Ba stars are giants as indicated by atmospheric parameters, metallicities and kinematic analysis about UVW velocity. Chemical abundances of 17 elements were obtained for these Ba stars. Their Na, Al, α- and iron-peak elements (O, Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn, Ni) are similar to the solar abundances. Our samples of Ba stars show obvious overabundances of neutron-capture (n-capture) process elements relative to the Sun. Their median abundances of [Ba/Fe], [La/Fe] and [Eu/Fe] are 0.54, 0.65 and 0.40, respectively. The Y I and Zr I abundances are lower than Ba, La and Eu, but higher than the α- and iron-peak elements for the strong Ba stars and similar to the iron-peak elements for the mild stars. There exists a positive correlation between Ba intensity and [Ba/Fe]. For the n-capture elements (Y, Zr, Ba, La), there is an anti-correlation between their [X/Fe] and [Fe/H]. We identify nine of our sample stars as strong Ba stars with [Ba/Fe] >0.6 where seven of them have Ba intensity Ba=2-5, one has Ba=1.5 and another one has Ba=1.0. The remaining ten stars are classified as mild Ba stars with 0.17<[Ba/Fe] <0.54.

  3. Spectroscopic Chemical Analysis Methods and Apparatus

    Science.gov (United States)

    Hug, William F.; Reid, Ray D.

    2012-01-01

    This invention relates to non-contact spectroscopic methods and apparatus for performing chemical analysis and the ideal wavelengths and sources needed for this analysis. It employs deep ultraviolet (200- to 300-nm spectral range) electron-beam-pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor lightemitting devices, and hollow cathode metal ion lasers. Three achieved goals for this innovation are to reduce the size (under 20 L), reduce the weight [under 100 lb (.45 kg)], and reduce the power consumption (under 100 W). This method can be used in microscope or macroscope to provide measurement of Raman and/or native fluorescence emission spectra either by point-by-point measurement, or by global imaging of emissions within specific ultraviolet spectral bands. In other embodiments, the method can be used in analytical instruments such as capillary electrophoresis, capillary electro-chromatography, high-performance liquid chromatography, flow cytometry, and related instruments for detection and identification of unknown analytes using a combination of native fluorescence and/or Raman spectroscopic methods. This design provides an electron-beampumped semiconductor radiation-producing method, or source, that can emit at a wavelength (or wavelengths) below 300 nm, e.g. in the deep ultraviolet between about 200 and 300 nm, and more preferably less than 260 nm. In some variations, the method is to produce incoherent radiation, while in other implementations it produces laser radiation. In some variations, this object is achieved by using an AlGaN emission medium, while in other implementations a diamond emission medium may be used. This instrument irradiates a sample with deep UV radiation, and then uses an improved filter for separating wavelengths to be detected. This provides a multi-stage analysis of the sample. To avoid the difficulties related to producing deep UV semiconductor sources, a pumping approach has been developed that uses

  4. Damage identification of a target substructure with moving load excitation

    Science.gov (United States)

    Li, J.; Law, S. S.

    2012-07-01

    This paper presents a substructural damage identification approach under moving vehicular loads based on a dynamic response reconstruction technique. The relationship between two sets of time response vectors from the substructure subject to moving loads is formulated with the transmissibility matrix based on impulse response function in the wavelet domain. Only the finite element model of the intact target substructure and the measured dynamic acceleration responses from the target substructure in the damaged state are required. The time-histories of moving loads and interface forces on the substructure are not required in the proposed algorithm. The dynamic response sensitivity-based method is adopted for the substructural damage identification with the local damage modeled as a reduction in the elemental stiffness factor. The adaptive Tikhonov regularization technique is employed to have an improved identification result when noise effect is included in the measurements. Numerical studies on a three-dimensional box-section girder bridge deck subject to a single moving force or a two-axle three-dimensional moving vehicle are conducted to investigate the performance of the proposed substructural damage identification approach. The simulated local damage can be identified with 5% noise in the measured data.

  5. 含减振子结构的巨型框架结构减震分析%DAMPING EFFECT ANALYSIS OF MEGA-FRAME STRUCTURES WITH A VIBRATION ABSORPTION SUBSTRUCTURE

    Institute of Scientific and Technical Information of China (English)

    蒋庆; 陆新征; 种迅; 叶献国; 黄俊旗

    2015-01-01

    In order to improve the seismic performance of mega-frame structures,a new type of structural system,i.e.mega-frame structures with a vibration absorption substructure,was put forward.A typical mega frame structure and a mega-frame structure with a vibration absorption substructure were designed.Their elastic earthquake responses were analyzed and both results were compared.The influence of frequency ratio and damping on the damping effect was studied.The results show that the vibration absorption substructure has a significant damping effect which has an excellent robustness against the frequency ratio.The damping effect is increased significantly by increasing the isolation bearing damping coefficient ratios until they are greater than 0.4.This work will be helpful in theoretical research and give some assistance to practical engineering.%为了改善巨型框架结构体系的抗震性能,提出一种新型的结构体系-含减振子结构巨型框架结构.设计了一典型钢筋混凝土巨型框架结构,将一子框架转变为减振子结构形成含减振子结构的巨型框架结构,采用有限元软件针对该普通巨型框架结构及其减振结构建立了有限元模型并进行了地震弹性反应对比分析,研究了减振子结构和整体结构频率比以及隔震支座阻尼对减震效果的影响.研究结果表明:减振子结构具有显著的减震效果,对频率比有较好的鲁棒性;随着隔震支座阻尼系数增大减震效果逐渐增大,当其大于0.4后,减震效果增加不明显.这为进一步研究该结构体系的奠定了基础,也为该结构的实际工程应用提供了参考.

  6. 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.

  7. 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...

  8. 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.

  9. Is there substructure around M87?

    CERN Document Server

    Oldham, L J

    2016-01-01

    We present a general method to identify infalling substructure in discrete datasets with position and line-of-sight velocity data. We exploit the fact that galaxies falling onto a brightest cluster galaxy (BCG) in a virialised cluster, or dwarf satellites falling onto 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 (2016)'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 are...

  10. 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...

  11. Boosted Higgs boson tagging using jet substructures

    CERN Document Server

    Shvydkin, Pavel

    2016-01-01

    Searching BSM particles via the Higgs boson final state has now become common. The mass of desired BSM particle is more than 1 TeV, thereby its decay products are highly Lorentz-boosted. Hence the jets from b quark-antiquark pair - which the Higgs boson mostly decays into - are very closed to each other, and merged into one jet, that is typically reconstructed using large jet sizes (∆R = 0.8). In this work regression technique is applied to AK8 jets (which defined by anti-kT algorithm, using ΔR = 0.8). The regression makes use of boosted jets with substructure information, coupled with the pecularities of a b quark decay, like the presence of a soft lepton (SL) inside the jet. It has allowed to improve the resolution of the mass reconstruction and transverse momentum of the Higgs boson. This application results in improvement of the mass reconstruction by 3-4 percent. These result may be improved firstly by making more careful pileup rejection. Then it is possible to combine base regression train for dif...

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

    Science.gov (United States)

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

    2016-01-01

    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 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.

  13. Representation of Material Elements and Geometry of Substructural Interactions

    CERN Document Server

    Mariano, Paolo Maria

    2008-01-01

    This paper collects some characteristic aspects of the general model-building framework of the mechanics of complex bodies, that are bodies in which the material substructure influences prominently the gross behavior through interactions conjugated with substructural changes. The emphasis in on issues that are foundational in nature: the geometrica description of the material elements, their energetic characterization, the representation of interactions, conditions for the existence of ground states in conservative setting.

  14. Drugs, structures, fragments: substructure-based approaches to GPCR drug discovery and design

    OpenAIRE

    Horst, Eelke van der

    2012-01-01

    This thesis is all about cheminformatics, and its impact on drug discovery. A number of strategies are discussed that apply computational methods for the analysis and design of G protein-coupled receptor (GPCR) ligands. Frequent substructure mining is applied to find the common structural motifs that are discriminative for predefined classes of GPCR ligands. In addtion, this approach is extended to cluster GPCRs to suggest a new classification for this receptor superfamily. Furthermore, subst...

  15. 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.

  16. 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.

  17. Stellar substructures in the solar neighbourhood

    OpenAIRE

    Stonkutė, Edita; Tautvaišienė, Gražina; Nordström, Birgitta; Ženovienė, Renata

    2013-01-01

    The evolution of chemical elements in a galaxy is linked to its star formation history. Variations in star formation history are imprinted in the relative abundances of chemical elements produced in different supernova events and asymptotic giant branch stars. We determine detailed elemental abundances of s- and r-process elements in stars belonging to Group3 of the Geneva-Copenhagen survey and compare their chemical composition with Galactic disc stars. The aim is to look for possible chemic...

  18. 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.

  19. 动态子结构法在地铁列车引起地基振动分析中的应用%Application of dynamic sub-structuring method in the analysis of foundation vibration caused by metro train

    Institute of Scientific and Technical Information of China (English)

    冯青松; 张翊翔; 万鹏; 雷晓燕

    2014-01-01

    A dynamic model for the tunnel-ground coupling system was established,using the fixed-interface component mode synthesis combining with the dynamic substructure method in the ANSYS software,to analyze the dynamic responses of the tunnel and the ground surface due to the metro train load.The accuracy of the dy-namic substructure method was validated by comparing with the whole finite element model.The relationship be-tween the number of the normal mode truncation and the analysis frequency in the fixed -interface component mode synthesis was discussed.In addition,the issue of the artificial boundary application was explored in the ground sub-structuring model.The computational results prove that the fixed-interface component mode syn-thesis can significantly reduce the computational efforts,shorten the calculation time,reduce the storage space, and hence can be used to analyze the subway environment vibration.%运用动态子结构固定界面模态综合法在ANSYS有限元分析软件中建立隧道地基耦合动力学模型,分析地铁列车荷载作用下隧道和地基表面的动力响应;通过与有限元整体建模分析法进行比较,验证动态子结构法的准确度。探讨固定界面模态综合法中主模态截断数与分析频率之间的关系,并讨论地基子结构模型中人工边界的施加问题。计算表明:固定界面模态综合法能够明显地减少建模及计算工作量,缩短计算时间,减少存储空间,且具有较高的精度,可在地铁环境振动分析中推广使用。

  20. 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.

  1. Structural damage identification based on substructure sensitivity and l1 sparse regularization

    Science.gov (United States)

    Zhou, Shumei; Bao, Yuequan; Li, Hui

    2013-04-01

    Sparsity constraints are now very popular to regularize inverse problems in the field of applied mathematics. Structural damage identification is a typical inverse problem of structural dynamics and Structural damage is a spatial sparse phenomenon, i.e., structural damage occurs, only part of elements or substructures are damaged. In this paper, a structural damage identification method based on the substructure-based sensitivity analysis and the sparse constraints regularization is proposed. Substructure sensitivity analysis, the establishment of structural damage stiffness parameter variation and change of modal parameters of linear equations between the measured degrees of freedom is limited, the equations for a morbid equation. The introduction of structural damage sparsity conditions, to minimize the l1 norm optimization solution. The numerical example of the 20 bay-truss structure with considering measurement noise, incomplete of measurements and multi-damage cases are carried out. The effects of number sensor and layout to the identification results are also investigated. The results indicated that the damage locations and extents can be effectively identified by the proposed method. Additionally, the sensor location can be random arrangement, which has great significance to the sensor placement of the actual structural health monitoring because robust structural damage identification also can be obtained even a few of sensor are failure.

  2. 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.

  3. 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....

  4. Hybrid chemical and nondestructive analysis technique

    International Nuclear Information System (INIS)

    A hybrid chemical/NDA technique has been applied at the Los Alamos National Laboratory to the assay of plutonium in ion-exchange effluents. Typical effluent solutions contain low concentrations of plutonium and high concentrations of americium. A simple trioctylphosphine oxide (TOPO) separation can remove 99.9% of the americium. The organic phase that contains the separated plutonium can be accurately assayed by monitoring the uranium L x-ray intensities

  5. Hybrid chemical and nondestructive-analysis technique

    Energy Technology Data Exchange (ETDEWEB)

    Hsue, S.T.; Marsh, S.F.; Marks, T.

    1982-01-01

    A hybrid chemical/NDA technique has been applied at the Los Alamos National Laboratory to the assay of plutonium in ion-exchange effluents. Typical effluent solutions contain low concentrations of plutonium and high concentrations of americium. A simple trioctylphosphine oxide (TOPO) separation can remove 99.9% of the americium. The organic phase that contains the separated plutonium can be accurately assayed by monitoring the uranium L x-ray intensities.

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

    DEFF Research Database (Denmark)

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

    2007-01-01

    Chemical characterization of solid waste is a demanding task due to the heterogeneity of the waste. This article describes how 45 material fractions hand-sorted from Danish household waste were subsampled and prepared for chemical analysis of 61 substances. All material fractions were subject...

  7. 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.

  8. 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...

  9. 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.

  10. 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...

  11. Substructure location and size effects on decentralized model updating

    Science.gov (United States)

    Dong, Xinjun; Zhu, Dapeng; Wang, Yang

    2015-04-01

    To improve the simulation accuracy of the finite-element (FE) model of an as-built structure, measurement data from the actual structure can be utilized for updating the model parameters, which is termed as FE model updating. During the past few decades, most efforts on FE model updating intend to update the entire structure model altogether, while using measurement data from sensors installed throughout the structure. When applied on large and complex structural models, the typical model updating approaches may fail due to computational challenges and convergence issues. In order to reduce the computational difficulty, this paper studies a decentralized FE model updating approach that intends to update one substructure at a time. The approach divides the entire structure into a substructure (currently being instrumented and updated) and the residual structure. The Craig-Bampton transform is adopted to condense the overall structural model. The optimization objective is formulated to minimize the modal dynamic residuals from the eigenvalue equations in structural dynamics involving natural frequencies and mode shapes. This paper investigates the effects of different substructure locations and sizes on updating performance. A space frame example, which is based on an actual pedestrian bridge on Georgia Tech campus, is used to study the substructure location and size effects. Keywords: substructure

  12. EDXRF for non-destructive chemical analysis

    International Nuclear Information System (INIS)

    One of the non-destructive methods used for the identification and verification of metals is by the energy-dispersive X-ray fluorescence (EDXRF) technique. EDXRF analysis provides several important advantages such as simultaneous determination of the elements present, enable to analyse a very wide concentration range, fast analysis with no sample preparation. The paper shows how this technique is developed and applied in the identification and verification of different grades of stainless steels and also precious metals analysis. (Author)

  13. 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.

  14. Substructure stability of tungsten single crystals at high temperature annealing

    International Nuclear Information System (INIS)

    The effect is studied of isothermal annealing at (2600-2800) deg C for several hours on the growth substructure of tungsten single crystals of variable freedom from interstitials (varying within two orders of magnitude) and of W single crystals with additions of 0.1 and 4 at % Re, obtained by electron-beam crucible-free zone recrystallization. It is shown that the streaky structure of W and W+0.1 at.% Re single crystals, formed in the high-temperature effect zone during their post-solidification cooling, is relatively stable. A higher stability is shown by the specimens with an interstitials concentration roughly identical to 0.1 at.% and/or the same concenctration of the alloying addition. The cellular-fibrous substructure in W+4 at.%Re specimens formed at the crystal/melt interface is unstable. The high-temperature annealing brings about its transformation into a more equiaxial substructure

  15. Chemical equilibrium analysis of dry hydrogen combustion

    International Nuclear Information System (INIS)

    The present work is based on a thermo-chemical equilibrium model for studying the effect of combustion of hydrogen during postulated accident scenarios in nuclear reactor containments. This model is based on the method of element potentials which seeks to minimize the free energy of the system. The condition on internal energy balance is imposed as a constraint during the minimization process. Another simplified model purely based on the internal energy balance has also been implemented to investigate the isolated impact of free energy and the conditions under which it becomes dominant. The two models have been used to extract final pressures for a wide range of initial conditions and mixture compositions that are typically found during accident scenarios. In the absence of hydrogen combustion experimental data, such models will become important for laying down a first estimate on the possible outcomes. (author)

  16. 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 of...... 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.......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......, HAWC2, coupled with dedicated in-house software packages for structural design analysis, and Abaqus. A reliability analysis and fatigue load calculations are made to ensure a desired life expectancy of the structure. The semi-floater concept is shown to maintain acceptable fatigue load levels for all...

  17. A Robust Control Design Framework for Substructure Models

    Science.gov (United States)

    Lim, Kyong B.

    1994-01-01

    A framework for designing control systems directly from substructure models and uncertainties is proposed. The technique is based on combining a set of substructure robust control problems by an interface stiffness matrix which appears as a constant gain feedback. Variations of uncertainties in the interface stiffness are treated as a parametric uncertainty. It is shown that multivariable robust control can be applied to generate centralized or decentralized controllers that guarantee performance with respect to uncertainties in the interface stiffness, reduced component modes and external disturbances. The technique is particularly suited for large, complex, and weakly coupled flexible structures.

  18. Chemical aspects of nuclear methods of analysis

    International Nuclear Information System (INIS)

    This final report includes papers which fall into three general areas: development of practical pre-analysis separation techniques, uranium/thorium separation from other elements for analytical and processing operations, and theory and mechanism of separation techniques. A separate abstract was prepared for each of the 9 papers

  19. Measuring Building Substructures: Solutions to ‘First Year’ Introductory Level Examination Questions

    OpenAIRE

    Cunningham, Tony

    2016-01-01

    The measurement of substructure works to simple domestic type buildings is a logical starting point for students to commence the process of taking-off building quantities. Substructure work is typically the first class of work to be explained in textbooks dealing with both construction technology and building measurement. However, substructure work is often one of the most challenging elements to measure. In this paper, the author demonstrates the process of measuring basic substructure desig...

  20. 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

  1. Airborne chemistry: acoustic levitation in chemical analysis.

    Science.gov (United States)

    Santesson, Sabina; Nilsson, Staffan

    2004-04-01

    This review with 60 references describes a unique path to miniaturisation, that is, the use of acoustic levitation in analytical and bioanalytical chemistry applications. Levitation of small volumes of sample by means of a levitation technique can be used as a way to avoid solid walls around the sample, thus circumventing the main problem of miniaturisation, the unfavourable surface-to-volume ratio. Different techniques for sample levitation have been developed and improved. Of the levitation techniques described, acoustic or ultrasonic levitation fulfils all requirements for analytical chemistry applications. This technique has previously been used to study properties of molten materials and the equilibrium shape()and stability of liquid drops. Temperature and mass transfer in levitated drops have also been described, as have crystallisation and microgravity applications. The airborne analytical system described here is equipped with different and exchangeable remote detection systems. The levitated drops are normally in the 100 nL-2 microL volume range and additions to the levitated drop can be made in the pL-volume range. The use of levitated drops in analytical and bioanalytical chemistry offers several benefits. Several remote detection systems are compatible with acoustic levitation, including fluorescence imaging detection, right angle light scattering, Raman spectroscopy, and X-ray diffraction. Applications include liquid/liquid extractions, solvent exchange, analyte enrichment, single-cell analysis, cell-cell communication studies, precipitation screening of proteins to establish nucleation conditions, and crystallisation of proteins and pharmaceuticals. PMID:14762640

  2. 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.

  3. Terahertz Chemical Analysis of Exhaled Human Breath - Broad Essay of Chemicals

    Science.gov (United States)

    Branco, Daniela R.; Fosnight, Alyssa M.; Thomas, Jessica R.; Medvedev, Ivan R.

    2013-06-01

    Approximately 3000 chemicals are thought to be present in human breath. Of these chemicals, many are considered typical of exhaled air. Yet, others can allude to different disease pathologies. The detection of chemicals in breath could have many practical purposes in medicine and provide a noninvasive means of diagnostics. We have previously reported on detection of ethanol, methanol, and acetone in exhaled human breath using a novel sub-millimeter/THz spectroscopic approach. This paper reports on our most recent study. A tentative list has been made of approximately 20 chemicals previously found in breath using other methods. Though many of these chemicals are only expressed in samples from donors with certain pathologies, at the time of this submission we are able to detect and quantitatively measure acetaldehyde and dimethyl sulfide in the breath of several healthy donors. Additional tentatively identified chemicals have been seen using this approach. This presentation will explain our experimental procedures and present our most recent results in THz breath analysis. Prospects, challenges and future plans will be outlined and discussed.

  4. 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.

  5. 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 ...

  6. 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.

  7. 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

  8. 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...... low ionization efficiency in ESI [7]. For this reason, chemical derivatization procedures including acetylation [8] or sulfation [9] are commonly implemented to facilitate ionization, detection and quantification of sterols for global lipidome analysis [1-3, 10]....

  9. 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.

  10. Synthesis of shuttle vehicle damping using substructure test results

    Science.gov (United States)

    Kana, D. D.; Huzar, S.

    1972-01-01

    An empirical method is developed for predicting the modal damping of a combined parallel-stage shuttle model by means of damping measurements performed on the individual substructures. Correlations are first determined for each component in terms of damping energy as a function of peak kinetic energy and modal amplitude. The results are then used to predict component damping energies corresponding to the respective kinetic energies and amplitudes that occur for the new modes of the combined system. Modal characteristics for the system, other than damping, are obtained by a real eigenvalue solution of dynamic equations developed by Hurty's procedure of substructures. System equations, which include component modal damping, are also solved by a complex eigenvalue approach for comparison with results of the empirical method.

  11. Fold Recognition Using Sequence Fingerprints of Protein Local Substructures

    Energy Technology Data Exchange (ETDEWEB)

    Kryshtafovych, A A; Hvidsten, T; Komorowski, J; Fidelis, K

    2003-06-04

    A protein local substructure (descriptor) is a set of several short non-overlapping fragments of the polypeptide chain. Each descriptor describes local environment of a particular residue and includes only those segments that are located in the proximity of this residue. Similar descriptors from the representative set of proteins were analyzed to reveal links between the substructures and sequences of their segments. Using detected sequence-based fingerprints specific geometrical conformations are assigned to new sequences. The ability of the approach to recognize correct SCOP folds was tested on 273 sequences from the 49 most popular folds. Good predictions were obtained in 85% of cases. No performance drop was observed with decreasing sequence similarity between target sequences and sequences from the training set of proteins.

  12. 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.

  13. 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.

  14. 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.

  15. 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.)

  16. 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.

  17. 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.

  18. 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...

  19. 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...

  20. Binary stars as probes of dark substructures in dwarf galaxies

    CERN Document Server

    Penarrubia, Jorge; Walker, Matthew G; Gilmore, Gerry; Evans, N Wyn; Mackay, Craig D

    2010-01-01

    We use analytical and N-body methods to examine the survival of wide stellar binaries against repeated encounters with dark substructures orbiting in the dark matter haloes of dwarf spheroidal galaxies (dSphs). Our models adopt cosmologically-motivated conditions wherein dSphs are dark-matter dominated systems that form hierarchically and orbit about a host galaxy. Our analytical estimates show that wide binaries are disrupted at a rate that is proportional to the local density of dark substructures averaged over the life-time of the binary population. The fact that external tides can efficiently strip dark substructures from the outskirts of dSphs implies that the present number and distribution of binaries is strongly coupled with the mass evolution of individual galaxies. Yet we show that for the range of dynamical masses and Galactocentric distances spanned by Milky Way dSphs, a truncation in the separation function at a_max <~ 0.1 pc is expected in all these galaxies. An exception may be the Sagittari...

  1. 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.

  2. 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...

  3. Application of finite element substructuring to composite micromechanics. M.S. Thesis - Akron Univ., May 1984

    Science.gov (United States)

    Caruso, J. J.

    1984-01-01

    Finite element substructuring is used to predict unidirectional fiber composite hygral (moisture), thermal, and mechanical properties. COSMIC NASTRAN and MSC/NASTRAN are used to perform the finite element analysis. The results obtained from the finite element model are compared with those obtained from the simplified composite micromechanics equations. A unidirectional composite structure made of boron/HM-epoxy, S-glass/IMHS-epoxy and AS/IMHS-epoxy are studied. The finite element analysis is performed using three dimensional isoparametric brick elements and two distinct models. The first model consists of a single cell (one fiber surrounded by matrix) to form a square. The second model uses the single cell and substructuring to form a nine cell square array. To compare computer time and results with the nine cell superelement model, another nine cell model is constructed using conventional mesh generation techniques. An independent computer program consisting of the simplified micromechanics equation is developed to predict the hygral, thermal, and mechanical properties for this comparison. The results indicate that advanced techniques can be used advantageously for fiber composite micromechanics.

  4. Chemical analysis of thin films at Sandia National Laboratories

    International Nuclear Information System (INIS)

    The characterization of thin films produced by chemical and physical vapor deposition requires special analytical techniques. When the average compositions of the films are required, dissolution of the thin films and measurement of the concentrations of the solubilized species is the appropriate analytical approach. In this report techniques for the wet chemical analysis of thin films of Si:Al, P2O5:SiO2, B2O3:SiO2, TiB/sub x/ and TaB/sub x/ are described. The analyses are complicated by the small total quantities of these analytes present in the films, the refractory characters of these analytes, and the possibility of interferences from the substrates on which the films are deposited. Etching conditions are described which dissolve the thin films without introducing interferences from the substrates. A chemical amplification technique and inductively coupled plasma atomic emission spectrometry are shown to provide the sensitivity required to measure the small total quantities (micrograms to milligrams) of analytes present. Also the chemical analysis data has been used to calibrate normal infrared absorption spectroscopy to give fast estimates of the phosphorus and/or boron dopant levels in thin SiO2 films

  5. Cluster analysis to evaluate stable chemical elements and physical-chemical parameters behavior on uranium mining waste

    International Nuclear Information System (INIS)

    The Ore Treating Unit (UTM, in portuguese) is a deactivated uranium mine. A cluster analysis was used to evaluate the behavior of stable chemical elements and physical-chemical parameters in their effluents. The utilization of the cluster analysis proved itself effective in the assessment, allowing the identification of groups of chemical elements, physical-chemical parameters and their joint analysis (elements and parameters). As a result we may assert, based on data analysis, that there is a strong link between calcium and magnesium and between aluminum and rare-earth oxides on UTM's effluents. Sulphate was also identified as strongly linked to total and dissolved solids, and those to electrical conductivity. There were other associations, but not so strongly linked. Further gathering, to seasonal evaluation, are required in order to confirm those analysis. Additional statistical analysis (factor analysis) must be used to try to identify the origin of the identified groups on this analysis. (author)

  6. On the Segregation of Dark Matter Substructure

    CERN Document Server

    Bosch, Frank C van den; Campbell, Duncan; Behroozi, Peter

    2015-01-01

    We present the first comprehensive analysis of the segregation of dark matter subhaloes in their host haloes. Using numerical simulations, we examine the segregation of twelve different subhalo properties with respect to both orbital energy and halo-centric radius (in real space as well as in projection). Subhaloes are strongly segregated by accretion redshift, which is an outcome of the inside-out assembly of their host haloes. Since subhaloes that were accreted earlier have experienced more tidal stripping, subhaloes that have lost a larger fraction of their mass at infall are on more bound orbits. Subhaloes are also strongly segregated in their masses and maximum circular velocities at accretion. We demonstrate that part of this segregation is already imprinted in the infall conditions. For massive subhaloes it is subsequently boosted by dynamical friction, but only during their first radial orbit. The impact of these two effects is counterbalanced, though, by the fact that subhaloes with larger accretion ...

  7. Device for high spatial resolution chemical analysis of a sample and method of high spatial resolution chemical analysis

    Science.gov (United States)

    Van Berkel, Gary J.

    2015-10-06

    A system and method for analyzing a chemical composition of a specimen are described. The system can include at least one pin; a sampling device configured to contact a liquid with a specimen on the at least one pin to form a testing solution; and a stepper mechanism configured to move the at least one pin and the sampling device relative to one another. The system can also include an analytical instrument for determining a chemical composition of the specimen from the testing solution. In particular, the systems and methods described herein enable chemical analysis of specimens, such as tissue, to be evaluated in a manner that the spatial-resolution is limited by the size of the pins used to obtain tissue samples, not the size of the sampling device used to solubilize the samples coupled to the pins.

  8. 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.

  9. 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

  10. Structural health monitoring system of Ironton-Russell bridge during substructure construction

    Science.gov (United States)

    Dalvi, Aditi; Norouzi, Mehdi; Hunt, Victor; Helmicki, Arthur

    2016-04-01

    Monitoring a complex structure has gained popularity worldwide to ensure safety and longevity of the structure. Structural Health Monitoring (SHM) systems have been employed for highway bridges to increase the effectiveness of their in-service inspection, to help measure its degradation or damage, and hence, to ensure it's safe and reliable operation. SHM may also be employed during the construction of a structure in order to ensure the safety and performance of the construction process. Monitoring during construction can also help designers compare the actual behavior of a structure with design models especially because of increasing development of accelerated or otherwise novel construction techniques. Analyzing the behavior of a structure at different stages of construction may also help later define some of the abnormal responses during the lifespan of a bridge. This paper overviews the SHM system of the Ironton-Russell Bridge, Ohio at the construction stage of its substructure. The stages involved in monitoring such as instrumentation of sensors, acquiring data from the sensors, data processing that includes a warning system, static analysis of the data collected and website are detailed in this paper. In addition to this, the effect of construction events as observed by the sensor data for the substructure is analyzed in detail thus validating the capability of the monitoring system.

  11. 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...

  12. 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.

  13. 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.

  14. 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...

  15. Clarification about component mode synthesis methods for substructures with physical flexible interfaces

    OpenAIRE

    Ohayon, Roger; Soize, Christian

    2014-01-01

    International audience The objective of the paper is to clarify a methodology based on the use of the existing component mode synthesis methods for the case of two damped substructures which are coupled through a linking viscoelastic flexible substructure and for which the structural modes with free geometrical interface are used for each main substructure. The proposed methodology corresponds to a convenient alternative to the direct use either of the Craig-Bampton method applied to the t...

  16. 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...

  17. 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.

  18. Microarray Technology for Major Chemical Contaminants Analysis in Food: Current Status and Prospects

    OpenAIRE

    Xiaoxia Ding; Wen Zhang; Xiaofeng Hu; Qi Zhang; Peiwu Li; Zhaowei Zhang

    2012-01-01

    Chemical contaminants in food have caused serious health issues in both humans and animals. Microarray technology is an advanced technique suitable for the analysis of chemical contaminates. In particular, immuno-microarray approach is one of the most promising methods for chemical contaminants analysis. The use of microarrays for the analysis of chemical contaminants is the subject of this review. Fabrication strategies and detection methods for chemical contaminants are discussed in detail....

  19. 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.

  20. 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.

  1. Galactic densities, substructure and the initial power spectrum

    International Nuclear Information System (INIS)

    Although the currently favored cold dark matter plus cosmological constant model for structure formation assumes an n = 1 scale-invariant initial power spectrum, most inflation models produce at least mild deviations from n = 1. Because the lever arm from the CMB normalization to galaxy scales is long, even a small 'tilt' can have important implications for galactic observations. Here we calculate the COBS-normalized power spectra for several well-motivated models of inflation and compute implications for the substructure content and central densities of galaxy halos. Using an analytic model, normalized against N-body simulations, we show that while halos in the standard (n = 1) model are overdense by a factor of ∼ 6 compared to observations, several of our example inflation+LCDM models predict halo densities well within the range of observations, which prefer models with n ∼ 0.85. We go on to use a semi-analytic model (also normalized against N-body simulations) to follow the merger histories of galaxy-sized halos and track the orbital decay, disruption, and evolution of the merging substructure. Models with n ∼ 0.85 predict a factor of ∼ 3 fewer subhalos at a fixed circular velocity than the standard n 1 case. Although this level of reduction does not resolve the 'dwarf satellite problem', it does imply that the level of feedback required to match the observed number of dwarfs is sensitive to the initial power spectrum. Finally, the fraction of galaxy-halo mass that is bound up in substructure is consistent with limits imposed by multiply imaged quasars for all models considered: fsat > 0.01 even for an effective tilt of n ∼ 0.8. We conclude that, at their current level, lensing constraints of this kind do not provide an interesting probe of the primordial power spectrum

  2. 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 ...

  3. 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...

  4. 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.

  5. Physcio chemical analysis of browning inhibitors treated solanum turberosum powder

    International Nuclear Information System (INIS)

    White potatoes (Solanum turberosum) were procured from agriculture Research Institute Tarnab Farm Peshawar to use for the preparation of potato powder. The process involves sorting. Washing, peeling slicing, blanching, treating with poly phenol oxidase inhibitors, dehydration, grinding and packing. All these parameters used in process were standardized. Chemical analysis of fresh potato and potato powder were carried out. Microbiological examination, functional properties and storage life studies of the potato powder were also performed. The product prepared by drying in cabinet dryer at 55 C for 7 hours was off white colour potatoes chips which was grinded to make off white potato powder. The potato powder possessed taste and texture. (author)

  6. Crystal-Chemical Analysis of Soil at Rocknest, Gale Crater

    Science.gov (United States)

    Morrison, S. M.; Downs, R. T.; Blake, D. F.; Bish, D. L.; Ming, D. W.; Morris, R. V.; Yen, A. S.; Chipera, S. J.; Treiman, A. H.; Vaniman, D. T.; Gellert, R.; Achilles, C. N.; Rampe, E. B.; Bristow, T. F.; Crisp, J. A.; Sarrazin, P. C.; DesMarais, D. J.; Morookian, J. M.; Anderson, R. C.

    2013-01-01

    The CheMin instrument on the Mars Science Laboratory rover Curiosity performed X-ray diffraction analysis on Martian soil [1] at Rocknest in Gale Crater. In particular, crystalline phases from scoop 5 were identified and analyzed with the Rietveld method [2]. Refined unit-cell parameters are reported in Table 1. Comparing these unit-cell parameters with those in the literature provides an estimate of the chemical composition of the crystalline phases. For instance, Fig. 1 shows the Mg-content of Fa-Fo olivine as a function of the b unit-cell parameter using literature data. Our refined b parameter is indicated by the black triangle.

  7. 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...

  8. 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.

  9. Searching for cluster substructure using APM and ROSAT data

    CERN Document Server

    Kolokotronis, V G; Georgantopoulos, I; Kolokotronis, Vaggelis; Basilakos, Spyros; Georgantopoulos, Ioannis; Plionis, Manolis

    2000-01-01

    We present a detailed study of the morphological features of 22 rich galaxyclusters. Our sample is constructed from a cross-correlation of optical(Abell+APM) data with X-ray (0.1 - 2.4) keV ROSAT pointed observations. Wesystematically compare cluster images and morphological parameters in anattempt to reliably identify possible substructure in both optical and theX-ray images. To this end, we compute various moments of the optical and X-raysurface-brightness distribution such as the ellipticities, center-of-massshifts and ellipsoidal orientations. We assess the significance of our resultsusing Monte Carlo simulations. We find significant correlations between theoptical and X-ray morphological parameters, indicating that in both parts ofthe spectrum it is possible to identify correctly the dynamical state of acluster. Most of our clusters (17/22) have a good 1-to-1 correspondence betweenthe optical and the X-ray images and about 10 appear to have strong indicationsof substructure. This corresponds to a minimum...

  10. Testing for substructure in optical and X-ray clusters

    CERN Document Server

    Kolokotronis, V G; Plionis, M; Georgantopoulos, I; Kolokotronis, Vaggelis; Basilakos, Spyros; Plionis, Manolis; Georgantopoulos, Ioannis

    2000-01-01

    We present a detailed study of the morphological features of 22 rich galaxy clusters. We systematically compare cluster images and morphological parameters in an attempt to reliably identify possible substructure in both optical and X-ray images. To this end, we compute moments of the surface-brightness distribution to estimate ellipticities, center-of-mass shifts and orientations. We find important correlations between the optical and X-ray morphological shape parameters. Most of our clusters (17) have a good 1-to-1 correspondence between the optical and the X-ray images and at least 9 appear to have strong indications of substructure. This corresponds to a percentage of about 40% in good accordance with other similar analyses. Finally, 4 out of 22 systems seem to have distinct subclumps in the optical which are not verified in the X-ray images, and thus are suspect of being due to optical projection effects. We assess the significance of results using Monte Carlo simulations.

  11. 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...

  12. 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...

  13. 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.

  14. Statistical sampling and chemical analysis of complex weapon components

    International Nuclear Information System (INIS)

    One of the waste streams generated by nuclear weapon dismantlement programs will be component ''hardware'', including complex electronic assemblies such as: radars, arming/fusing/firing systems, power sources, and use-control and safety systems. Sandia National Laboratories (SNL) has been the design and development laboratory for many of these components and will be responsible for their ultimate disposition. This disposition, whether it be reuse, material recycle, or disposal, will require some level of material characterization and analysis. Previous efforts at developing a process for segregation and characterization of hazardous materials in weapon components have been documented. This paper describes the results of recent activities undertaken in support of the Weapon Hardware Inventory Reduction Effort (WHIRE) at Sandia National Laboratories. These activities have been directed principally towards: The development of a statistically sound sampling plan for chemical analysis of weapon component materials; the development of a non-destructive analytical screening method for determining the Toxicity Characteristic of excess weapon hardware

  15. 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

    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 plan...... of the dye Bromothymol Blue. The influence of three different bonding procedures on the spectrally resolved propagation loss of the integrated waveguides between 500 nm and 900 nm was furthermore determined.......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...... waveguides and fiber-to-waveguide coupler structures, are defined in the same processing step. This results in self-alignment of all components and enables a fabrication and packaging time of only one day. The fabrication scheme has recently been presented elsewhere for fluorescence excitation of beads...

  16. 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.

  17. Cosmetics chemical composition characterization by instrumental neutron activation analysis

    International Nuclear Information System (INIS)

    Brazil is in the third position in the world's cosmetics market. It is an expanding and growing market where new products and manufacturing processes are in a constant and steady expansion. Therefore, it is mandatory that the composition of the products is well known in order to guarantee safety and quality of daily used cosmetics. The Brazilian National Health Surveillance Agency (ANVISA) has issued a resolution, RDC No. 48, March 16, 2006, which defines a 'List of Substances which can not be used in personal hygiene products, cosmetics and perfumes'. In this work, samples of locally manufactured and imported cosmetics (lipsticks, eye shadows, etc.) were analyzed using the Instrumental Neutron Activation Analysis technique. The samples were irradiated in the TRIGA IPR-R1 reactor of the Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN), on a 100kW thermal power, with a thermal neutron fluence rate about 8x1011ncm-2s-1. The analysis has detected the chemical elements Br, Ba, Ga, Na, K, Sc, Fe, Cr, Zn, Sm, W, La, Rb, Cs, Ta, Ge, Co, U, Ti, V, Cl, Al, Mn and Cu. The concentrations of these elements are on a range from 5 to 3000μg.g-1. Some chemical elements observed in samples (Cl, Br, Cr, U) are included at ANVISA prohibitive list. (author)

  18. 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

  19. ATPase-Modulated Stress Granules Contain a Diverse Proteome and Substructure.

    Science.gov (United States)

    Jain, Saumya; Wheeler, Joshua R; Walters, Robert W; Agrawal, Anurag; Barsic, Anthony; Parker, Roy

    2016-01-28

    Stress granules are mRNA-protein granules that form when translation initiation is limited, and they are related to pathological granules in various neurodegenerative diseases. Super-resolution microscopy reveals stable substructures, referred to as cores, within stress granules that can be purified. Proteomic analysis of stress granule cores reveals a dense network of protein-protein interactions and links between stress granules and human diseases and identifies ATP-dependent helicases and protein remodelers as conserved stress granule components. ATP is required for stress granule assembly and dynamics. Moreover, multiple ATP-driven machines affect stress granules differently, with the CCT complex inhibiting stress granule assembly, while the MCM and RVB complexes promote stress granule persistence. Our observations suggest that stress granules contain a stable core structure surrounded by a dynamic shell with assembly, disassembly, and transitions between the core and shell modulated by numerous protein and RNA remodeling complexes. PMID:26777405

  20. 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.

  1. Tuning the thermal conductivity of methylammonium lead halide by the molecular substructure.

    Science.gov (United States)

    Caddeo, Claudia; Melis, Claudio; Saba, Maria Ilenia; Filippetti, Alessio; Colombo, Luciano; Mattoni, Alessandro

    2016-09-21

    By using state-of-the-art atomistic methods we provide an accurate estimate of thermal conductivity of methylammonium lead halide as a function of sample size and temperature, in agreement with experimental works. We show that the thermal conductivity of methylammonium lead halide is intrinsically low, due to the low sound velocity of the PbI lattice. Furthermore, by selectively analyzing the effect of different molecular degrees of freedom, we clarify the role of the molecular substructure by showing that the internal modes above 150 cm(-1) (in addition to rotations) are effective in reducing the thermal conductivity of hybrid perovskites. This analysis suggests strategies to tailor the thermal conductivity by modifying the internal structure of organic cations. PMID:27531063

  2. Application of Frequency Domain Substructure Synthesis Technique for Plates Loaded with Complex Attachments

    Energy Technology Data Exchange (ETDEWEB)

    RL Campbell; SA Hambric

    2004-02-05

    Frequency domain substructure synthesis is a modeling technique that enables the prediction of a combined response of individual structures using experimentally measured or numerically predicted frequency response functions (FRFs). The traditional synthesis algorithm [1,2] operates on component impedances and thus generally requires several matrix inversions. An improved algorithm, developed by Jetmundsen et al. [3], requires a single matrix inversion with a completely arbitrary interface definition that can easily incorporate connection impedances. The main limitations of the method are the large data requirements and sensitivity to data truncation. The utility of this technique is demonstrated through a comparison of synthesized and measured admittances of an edge-stiffened plate with attached equipment. The plate mobilities are obtained from a numerical analysis because of the ability to accurately model this structure using a finite element representation. The attachments are characterized experimentally because of their complexity. The sections describe the synthesis technique and show numerical and experimental results for the plate and equipment.

  3. Uranium complexes with macrosyclic polyethers. Synthesis and structural chemical analysis

    International Nuclear Information System (INIS)

    This dissertation reports about studies on the chemical coordination behaviour of uranium of oxidation stages IV and VI with regard to twelve different macrocyclic ligands. For the preparation of the complexes, for every system a different method has been developed. The elementary analysis of the various complexes including the uranium had been done by X-ray fluorescence analysis, and the structural characterization proceeded via vibrational, uv-vis and emission spectroscopy as well as 1H-NMR and 13C-spin-lattice relaxation time studies. Conformational analysis of the polyethers used allowed the structural changes in the complexes to be observed. The structural analysis of the hydrous uranium VI crown ether complexes yielded information of characteristic features of these types of complexes. The first coordination sphere of the uranyl ion with covalently bonded anion remains unchanged. As to the water content, there is a certain range. Depending upon the solvent used, the complexes have two or four H2O molecules per formula unit. (orig./EF)

  4. Hybrid biomembrane substructure determination by contrast-variation analysis

    DEFF Research Database (Denmark)

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

    2002-01-01

    if exposed to an aqueous volume. Neutron reflectometry is applied to determine the thickness of the thin structures as they form. The combination of deuterated and protonated components allows us to highlight single layers. Thus the structural details of the system as it is subsequently built up...

  5. 2D-Qsar for 450 types of amino acid induction peptides with a novel substructure pair descriptor having wider scope

    Directory of Open Access Journals (Sweden)

    Osoda Tsutomu

    2011-11-01

    Full Text Available Abstract Background Quantitative structure-activity relationships (QSAR analysis of peptides is helpful for designing various types of drugs such as kinase inhibitor or antigen. Capturing various properties of peptides is essential for analyzing two-dimensional QSAR. A descriptor of peptides is an important element for capturing properties. The atom pair holographic (APH code is designed for the description of peptides and it represents peptides as the combination of thirty-six types of key atoms and their intermediate binding between two key atoms. Results The substructure pair descriptor (SPAD represents peptides as the combination of forty-nine types of key substructures and the sequence of amino acid residues between two substructures. The size of the key substructures is larger and the length of the sequence is longer than traditional descriptors. Similarity searches on C5a inhibitor data set and kinase inhibitor data set showed that order of inhibitors become three times higher by representing peptides with SPAD, respectively. Comparing scope of each descriptor shows that SPAD captures different properties from APH. Conclusion QSAR/QSPR for peptides is helpful for designing various types of drugs such as kinase inhibitor and antigen. SPAD is a novel and powerful descriptor for various types of peptides. Accuracy of QSAR/QSPR becomes higher by describing peptides with SPAD.

  6. 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.

  7. Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set.

    Science.gov (United States)

    Klimenko, Kyrylo; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

    2016-08-22

    Curation, standardization and data fusion of the antiviral information present in the ChEMBL public database led to the definition of a robust data set, providing an association of antiviral compounds to seven broadly defined antiviral activity classes. Generative topographic mapping (GTM) subjected to evolutionary tuning was then used to produce maps of the antiviral chemical space, providing an optimal separation of compound families associated with the different antiviral classes. The ability to pinpoint the specific spots occupied (responsibility patterns) on a map by various classes of antiviral compounds opened the way for a GTM-supported search for privileged structural motifs, typical for each antiviral class. The privileged locations of antiviral classes were analyzed in order to highlight underlying privileged common structural motifs. Unlike in classical medicinal chemistry, where privileged structures are, almost always, predefined scaffolds, privileged structural motif detection based on GTM responsibility patterns has the decisive advantage of being able to automatically capture the nature ("resolution detail"-scaffold, detailed substructure, pharmacophore pattern, etc.) of the relevant structural motifs. Responsibility patterns were found to represent underlying structural motifs of various natures-from very fuzzy (groups of various "interchangeable" similar scaffolds), to the classical scenario in medicinal chemistry (underlying motif actually being the scaffold), to very precisely defined motifs (specifically substituted scaffolds). PMID:27410486

  8. 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.

  9. 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.

  10. Chemical analysis of ancient relicts in the Milky Way disk

    Directory of Open Access Journals (Sweden)

    Tautvaišienė G.

    2012-02-01

    Full Text Available We present detailed analysis of two groups of F- and G- type stars originally found to have similarities in their orbital parameters. The distinct kinematic properties suggest that they might originate from ancient accretion events in the Milky Way. From high resolution spectra taken with the spectrograph FIES at the Nordic Optical Telescope, La Palma, we determined abundances of oxygen, alpha- and r-process elements. Our results indicate that the sample of investigated stars is chemically homogeneous and the abundances of oxygen, alpha and r-process elements are overabundant in comparison with Galactic disk dwarfs. This provides the additional evidence that those stellar groups had the common formation and possible origin from disrupted satellites.

  11. 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

    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 in 3 types of bovine milk with different fatty acid profiles obtained through manipulation of feed was evaluated by analytical methods quantifying the content of potential antioxidants, the tendency of formation of free radicals, and the accumulation of primary and secondary oxidation...

  12. Numerical Hermitian Yang-Mills Connections and Kahler Cone Substructure

    CERN Document Server

    Anderson, Lara B; Ovrut, Burt A

    2011-01-01

    We further develop the numerical algorithm for computing the gauge connection of slope-stable holomorphic vector bundles on Calabi-Yau manifolds. In particular, recent work on the generalized Donaldson algorithm is extended to bundles with Kahler cone substructure on manifolds with h^{1,1}>1. Since the computation depends only on a one-dimensional ray in the Kahler moduli space, it can probe slope-stability regardless of the size of h^{1,1}. Suitably normalized error measures are introduced to quantitatively compare results for different directions in Kahler moduli space. A significantly improved numerical integration procedure based on adaptive refinements is described and implemented. Finally, an efficient numerical check is proposed for determining whether or not a vector bundle is slope-stable without computing its full connection.

  13. Morphology parameters: substructure identification in X-ray galaxy clusters

    CERN Document Server

    Parekh, Viral; Ferrari, Chiara; Angus, Garry; Holwerda, Benne

    2014-01-01

    In recent years multi-wavelength observations have shown the presence of substructures related to merging events in a high fraction of galaxy clusters. Clusters can be roughly grouped into two categories -- relaxed and non-relaxed -- and a proper characterisation of the dynamical state of these systems is of crucial importance both for astrophysical and cosmological studies. In this paper we investigate the use of a number of morphological parameters (Gini, $M_{20}$, Concentration, Asymmetry, Smoothness, Ellipticity and Gini of the second order moment, $G_{M}$) introduced to automatically classify clusters as relaxed or dynamically disturbed systems. We apply our method to a sample of clusters at different redshifts extracted from the {\\it Chandra} archive and we investigate possible correlations between morphological parameters and other X-ray gas properties. We conclude that a combination of the adopted parameters is a very useful tool to properly characterise the X-ray cluster morphology. According to our ...

  14. Substructural strengthening in molybdenum and Mo-33Re

    International Nuclear Information System (INIS)

    Strengthening from defect substructures has been studied in Mo-33Re deformed in tension and by cold rolling, and in shock-loaded molybdenum and Mo-33Re. In cold-rolled and tensile-deformed Mo-33Re, strengthening arises from dislocation-dislocation interactions for smaller strains (less than 0.3), while at larger strains by rolling there is additional strengthening from dislocation cell formation and texture development. In shock-loaded molybdenum, dislocation-dislocation interactions are the primary source of strengthening, while in shock-loaded Mo-33Re dislocations and twin boundaries both contribute to strengthening. The coefficients for dislocation strengthening in both shock-loaded molybdenum and shock-loaded Mo-33Re are consistent with the values for the cold-rolled Mo-33Re and with published values for a wide range of other materials, indicating that the strengthening mechanism is similar for conventional and shock deformation. (Auth.)

  15. 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.

  16. Formation of spiral waves with substructure in a bursting media.

    Science.gov (United States)

    Jiang, Huijun; Hou, Zhonghuai

    2015-12-01

    Formation of spiral waves in a bursting media is investigated. Due to the multiple timescale oscillation of the local dynamics, an interesting substructure of traveling wave (STW) is observed in the spiral arm. As a result of the special moving media formed by neurons in the spiral arm, STWs propagate from the spiral tip to far field with an increasing wave length and move faster along the front of the spiral arm than along the back, leading to the formation of fragments in STWs. Moreover, we find that a sharp change of stimulus current can lead to backfiring of STWs, which may break the spiral wave front and further result in the formation of a multi-spiral pattern. PMID:26723144

  17. Microarray Technology for Major Chemical Contaminants Analysis in Food: Current Status and Prospects

    Directory of Open Access Journals (Sweden)

    Xiaoxia Ding

    2012-07-01

    Full Text Available Chemical contaminants in food have caused serious health issues in both humans and animals. Microarray technology is an advanced technique suitable for the analysis of chemical contaminates. In particular, immuno-microarray approach is one of the most promising methods for chemical contaminants analysis. The use of microarrays for the analysis of chemical contaminants is the subject of this review. Fabrication strategies and detection methods for chemical contaminants are discussed in detail. Application to the analysis of mycotoxins, biotoxins, pesticide residues, and pharmaceutical residues is also described. Finally, future challenges and opportunities are discussed.

  18. 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.

  19. Chemical hazards analysis of resilient flooring for healthcare.

    Science.gov (United States)

    Lent, Tom; Silas, Julie; Vallette, Jim

    2010-01-01

    This article addresses resilient flooring, evaluating the potential health effects of vinyl flooring and the leading alternatives-synthetic rubber, polyolefin, and linoleum-currently used in the healthcare marketplace. The study inventories chemicals incorporated as components of each of the four material types or involved in their life cycle as feedstocks, intermediary chemicals, or emissions. It then characterizes those chemicals using a chemical hazard-based framework that addresses persistence and bioaccumulation, human toxicity, and human exposures. PMID:21165873

  20. Chemical analysis of Argonne premium coal samples. Bulletin

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, C.A.

    1997-11-01

    Contents: The Chemical Analysis of Argonne Premium Coal Samples: An Introduction; Rehydration of Desiccated Argonne Premium Coal Samples; Determination of 62 Elements in 8 Argonne Premium Coal Ash Samples by Automated Semiquantitative Direct-Current Arc Atomic Emission Spectrography; Determination of 18 Elements in 5 Whole Argonne Premium Coal Samples by Quantitative Direct-Current Arc Atomic Emission Spectrography; Determination of Major and Trace Elements in Eight Argonne Premium Coal Samples (Ash and Whole Coal) by X-Ray Fluorescence Spectrometry; Determination of 29 Elements in 8 Argonne Premium Coal Samples by Instrumental Neutron Activation Analysis; Determination of Selected Elements in Coal Ash from Eight Argonne Premium Coal Samples by Atomic Absorption Spectrometry and Atomic Emission Spectrometry; Determination of 25 Elements in Coal Ash from 8 Argonne Premium Coal Samples by Inductively Coupled Argon Plasma-Atomic Emission Spectrometry; Determination of 33 Elements in Coal Ash from 8 Argonne Premium Coal Samples by Inductively Coupled Argon Plasma-Mass Spectrometry; Determination of Mercury and Selenium in Eight Argonne Premium Coal Samples by Cold-Vapor and Hydride-Generation Atomic Absorption Spectrometry; Determinaton of Carbon, Hydrogen, and Nitrogen in Eight Argonne Premium Coal Samples by Using a Gas Chromatographic Analyzer with a Thermal Conductivity Detector; and Compilation of Multitechnique Determinations of 51 Elements in 8 Argonne Premium Coal Samples.

  1. Chemical analysis and potential health risks of hookah charcoal.

    Science.gov (United States)

    Elsayed, Yehya; Dalibalta, Sarah; Abu-Farha, Nedal

    2016-11-01

    Hookah (waterpipe) smoking is a very common practice that has spread globally. There is growing evidence on the hazardous consequences of smoking hookah, with studies indicating that its harmful effects are comparable to cigarette smoking if not worse. Charcoal is commonly used as a heating source for hookah smoke. Although charcoal briquettes are thought to be one of the major contributors to toxicity, their composition and impact on the smoke generated remains largely unidentified. This study aims to analyze the elemental composition of five different raw synthetic and natural charcoals by using Carbon-Hydrogen-Nitrogen (CHN) analysis, inductively coupled plasma (ICP), and scanning electron microscopy coupled with energy dispersive X-Ray spectrometry (SEM-EDS). Elemental analysis showed that the raw charcoals contain heavy metals such as zinc, iron, cadmium, vanadium, aluminum, lead, chromium, manganese and cobalt at concentrations similar, if not higher than, cigarettes. In addition, thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS) was used to analyze the chemical composition of the smoke produced from burning the charcoal samples. The smoke emitted from charcoal was found to be the source of numerous compounds which could be hazardous to health. A total of seven carcinogens, 39 central nervous system depressants and 31 respiratory irritants were identified. PMID:27343945

  2. 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.

  3. 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.

  4. Safety- and Risk Analysis Activities in Chemical Industry in Europe

    Energy Technology Data Exchange (ETDEWEB)

    Kozine, Igor; Duijm, Nijs Jan; Lauridsen Kurt [Risoe National Laboratory, Roskilde (Denmark). Systems Analysis Department

    2001-07-01

    The current paper gives an overview of the legislation and the methods used in safety and risk management in the chemical industry within Europe and in particular within the European Union. The paper is based on a report that has been written for the SOS-1 project under the Nordic nuclear safety research (NKS). Safety- and risk-related matters in the process industry, in particular, in chemical, within the EU are subject to consideration at three levels: (1) EU legislation, (2) European/intemational standardisation, and (3) socio-economic analysis. EC Directives define the 'essential requirements', e.g., protection of health and safety, that must be fulfilled when goods are placed on the market or some industry is put into operation. The European standards bodies (CEN, CENELEC and ETSI) have the task of establishing the corresponding technical specifications, meeting the essential requirements of the Directives, compliance with which will provide a presumption of conformity with the essential requirements. Such specifications are referred to as 'harmonised standards'. Compliance with harmonised standards remains voluntary, and manufacturers are free to choose any other technical solution that provides compliance with the essential requirements. This view is stated in the 'New Approach' to technical harmonisation and standardisation (details can be found on the web page: http://europe.eu.int/comm/enterprise/newapproach/standardization/index .html). Standardisation as well as the regulation of technical risks is increasingly being undertaken at European or international level. The European legislator limits its role to the affirmation of overall objectives, and leaves it to the economic players to draw up the technical procedures and standards to specify in detail the ways and means of attaining them. Many countries have introduced requirements that new legislation and/or administrative regulations be subject to socio-economic analysis

  5. 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...

  6. 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.

  7. 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

  8. 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.

  9. 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...

  10. Microplasmas for chemical analysis: analytical tools or research toys?

    International Nuclear Information System (INIS)

    An overview of the activities of the research groups that have been involved in fabrication, development and characterization of microplasmas for chemical analysis over the last few years is presented. Microplasmas covered include: miniature inductively coupled plasmas (ICPs); capacitively coupled plasmas (CCPs); microwave-induced plasmas (MIPs); a dielectric barrier discharge (DBD); microhollow cathode discharge (MCHD) or microstructure electrode (MSE) discharges, other microglow discharges (such as those formed between 'liquid' electrodes); microplasmas formed in micrometer-diameter capillary tubes for gas chromatography (GC) or high-performance liquid chromatography (HPLC) applications, and a stabilized capacitive plasma (SCP) for GC applications. Sample introduction into microplasmas, in particular, into a microplasma device (MPD), battery operation of a MPD and of a mini- in-torch vaporization (ITV) microsample introduction system for MPDs, and questions of microplasma portability for use on site (e.g., in the field) are also briefly addressed using examples of current research. To emphasize the significance of sample introduction into microplasmas, some previously unpublished results from the author's laboratory have also been included. And an overall assessment of the state-of-the-art of analytical microplasma research is provided

  11. TECHNO-ECONOMIC ANALYSIS OF MODERNIZATION FOR CHEMICAL EQUIPMENT

    OpenAIRE

    Задольський, Аркадій Михайлович

    2015-01-01

    Industry of Ukraine is currently in a very difficult situation. This fully relates to the chemical industry. The real way to overcome negative developments, in the chemical industry, is improving its material base and objects of fixed assets. First of all, need improvement, machinery and equipment (chemical equipment). This important problem can be solved by upgrading existing equipment. In order to choose the most efficient option for replacement of obsolete equipment, should apply the techn...

  12. Similarity Analysis of Cable Insulations by Chemical Test

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jong Seog [Central Research Institute of Korea Hydro and Nuclear Power Co., Daejeon (Korea, Republic of)

    2013-10-15

    As result of this experiment, it was found that FT-IR test for material composition, TGA test for aging trend are applicable for similarity analysis of cable materials. OIT is recommended as option if TGA doesn't show good trend. Qualification of new insulation by EQ report of old insulation should be based on higher activation energy of new insulation than that of old one in the consideration of conservatism. In old nuclear power plant, it is easy to find black cable which has no marking of cable information such as manufacturer, material name and voltage. If a type test is required for qualification of these cables, how could I select representative cable? How could I determine the similarity of these cables? If manufacturer has qualified a cable for nuclear power plant more than a decade ago and composition of cable material is changed with similar one, is it acceptable to use the old EQ report for recently manufactured cable? It is well known to use FT-IR method to determine the similarity of cable materials. Infrared ray is easy tool to compare compositions of each material. But, it is not proper to compare aging trend of these materials. Study for similarity analysis of cable insulation by chemical test is described herein. To study a similarity evaluation method for polymer materials, FT-IR, TGA and OIT tests were performed for two cable insulation(old and new) which were supplied from same manufacturer. FT-IR shows good result to compare material compositions while TGA and OIT show good result to compare aging character of materials.

  13. GAGA: a new algorithm for genomic inference of geographic ancestry reveals fine level population substructure in Europeans.

    Directory of Open Access Journals (Sweden)

    Oscar Lao

    2014-02-01

    Full Text Available Attempts 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 distance matrix that reduces the within-population variation considerably. Extensive computer simulations revealed that the transformed matrix captured the genetic population differentiation better than the original one which was based on the T1 statistic. In an empirical genomic data set comprising 2,457 individuals from 23 different European subpopulations, the proportion of individuals that were determined as a genetic neighbour to another individual from the same sampling location increased from 25% with the original matrix to 52% with the transformed matrix. Similarly, the percentage of genetic variation explained between populations by means of Analysis of Molecular Variance (AMOVA increased from 1.62% to 7.98%. Furthermore, the first two dimensions of a classical multidimensional scaling (MDS using the transformed matrix explained 15% of the variance, compared to 0.7% obtained with the original matrix. Application of MDS with Mclust, SPA with Mclust, and GemTools algorithms to the same dataset also showed that the transformed matrix gave a better association of the genetic clusters with the sampling locations, and particularly so when it was used in the AMOVA framework with a genetic algorithm. Overall, the new matrix transformation introduced here substantially reduces the within population genetic differentiation, and can be broadly applied to methods such as AMOVA to enhance their sensitivity to reveal population substructure. We herewith provide a publically available (http://www.erasmusmc.nl/fmb/resources/GAGA model-free method for improved genetic population substructure detection that can be applied to human as well as any other species data in future

  14. 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...

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

    International Nuclear Information System (INIS)

    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

  16. 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.

  17. The Effect of Local Dark Matter Substructure on Constraints in Sommerfeld-Enhanced Models

    CERN Document Server

    Slatyer, Tracy R; Weiner, Neal

    2011-01-01

    In models of dark matter with Sommerfeld-enhanced annihilation, where the annihilation rate scales as the inverse velocity, models of local substructure motivated by N-body dark matter simulations imply a local annihilation signal dominated by small, dense, cold subhalos. This contrasts with the usual assumption of a signal originating from the smooth dark matter halo, with much higher velocity dispersion. Accounting for local substructure modifies the favored parameter regions for Sommerfeld-enhanced annihilating DM explanations for the PAMELA and Fermi excesses. Limits from the inner galaxy and the CMB are weakened, without introducing new tension with substructure-dependent limits, such as from dwarf galaxies or isotropic gamma-ray studies. With substructure, previously excluded parameter regions with mediators of mass <~ 200 MeV are now easily allowed. For very light mediators, subhalos in a specific range of host halo masses may be evaporated, further suppressing diffuse signals without affecting subs...

  18. 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...

  19. 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...

  20. 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.

  1. Gamma-ray background anisotropy from galactic dark matter substructure

    CERN Document Server

    Ando, Shin'ichiro

    2009-01-01

    Dark matter annihilation in galactic substructure would imprint characteristic angular signatures on the all-sky map of the diffuse gamma-ray background. We study the gamma-ray background anisotropy due to the subhalos and discuss detectability at Fermi Gamma-ray Space Telescope. We derive analytic formulae that enable to directly compute the angular power spectrum, given parameters of subhalos. As our fiducial subhalo model, we adopt M^{-1.9} mass spectrum with the lower cutoff of Earth-mass scale, subhalos radial distribution suppressed towards the galactic center, and luminosity profile of each subhalo dominated by its smooth component. We find that, for interesting multipole regime corresponding to \\theta <~ 1 deg, the angular power spectrum is dominated by a noise-like term, with suppression due to internal structure of relevant subhalos. For this fiducial model, if the subhalo contribution to the gamma-ray background is more than ~5%, Fermi will be able to detect subhalos through anisotropy, with a m...

  2. 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.

  3. The Stellar Populations of M31 Halo Substructure

    CERN Document Server

    Ferguson, A; Faria, D; Irwin, M; Ibata, R; Johnston, K; Lewis, G; Tanvir, N; Ferguson, Annette; Johnson, Rachel; Faria, Daniel; Irwin, Mike; Ibata, Rodrigo; Johnston, Kathryn; Lewis, Geraint; Tanvir, Nial

    2005-01-01

    We present the first results from our survey of stellar substructure in the outskirts of M31 using the Advanced Camera for Surveys (ACS) on board the Hubble Space Telescope. We discuss the stellar populations associated with five prominent stellar overdensities discovered during the course of our panoramic ground-based imaging survey with the Isaac Newton Telescope Wide-Field Camera (INT WFC); a sixth pointing targets a region of `clean' halo. The colour-magnitude diagrams (CMDs), which contain between ~10,000--90,000 stars and reach four magnitudes below the horizontal branch, reveal clear variations in morphology between most fields, indicating that the age and/or metallicity mix of stars is not constant at large radius. This directly confirms the existence of large-scale population inhomogeneities within the halo of M31 and lends further support to the notion that M31 has formed, at least in part, through satellite accretions. We find a striking similarity between the populations of the giant stellar strea...

  4. Gravitational focusing and substructure effects on the rate modulation in direct dark matter searches

    International Nuclear Information System (INIS)

    We study how gravitational focusing (GF) of dark matter by the Sun affects the annual and biannual modulation of the expected signal in non-directional direct dark matter searches, in the presence of dark matter substructure in the local dark halo. We consider the Sagittarius stream and a possible dark disk, and show that GF suppresses some, but not all, of the distinguishing features that would characterize substructure of the dark halo were GF neglected

  5. Gap comparison between single crown and three-unit bridge zirconia substructures

    OpenAIRE

    Anunmana, Chuchai; Charoenchitt, Masnisa; Asvanund, Chanavut

    2014-01-01

    PURPOSE To compare marginal and internal gaps of zirconia substructure of single crowns with those of three-unit fixed dental prostheses. MATERIALS AND METHODS Standardized Co-Cr alloy simulated second premolar and second molar abutments were fabricated and subsequently duplicated into type-III dental stone for working casts. After that, all zirconia substructures were made using Lava™ system. Marginal and internal gaps were measured in 2 planes (mesial-distal plane and buccal-palatal plane) ...

  6. Sub-structures in the inner halo of the Milky Way

    Directory of Open Access Journals (Sweden)

    Duffau S.

    2012-02-01

    Full Text Available We present a spectroscopic study of a sample of 238 RR Lyrae stars, from the QUEST survey, located in the Galactic halo at distances between 4 and 20 kpc from the Sun. Combining their spatial position and kinematics we were able to identify sub-structures in this part of the halo. Some of those sub-structures may be associated with known halo features like the Virgo Overdensity, the Hercules-Aquila Cloud, and the Anticenter Stream.

  7. Gravitational focusing and substructure effects on the rate modulation in direct dark matter searches

    Energy Technology Data Exchange (ETDEWEB)

    Nobile, Eugenio Del; Gelmini, Graciela B.; Witte, Samuel J. [Department of Physics and Astronomy, UCLA,475 Portola Plaza, Los Angeles, CA 90095 (United States)

    2015-08-21

    We study how gravitational focusing (GF) of dark matter by the Sun affects the annual and biannual modulation of the expected signal in non-directional direct dark matter searches, in the presence of dark matter substructure in the local dark halo. We consider the Sagittarius stream and a possible dark disk, and show that GF suppresses some, but not all, of the distinguishing features that would characterize substructure of the dark halo were GF neglected.

  8. 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.

  9. 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.

  10. 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....

  11. 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...

  12. 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.

  13. 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.

  14. 40 CFR 761.292 - Chemical extraction and analysis of individual samples and composite samples.

    Science.gov (United States)

    2010-07-01

    ....61(a)(6) § 761.292 Chemical extraction and analysis of individual samples and composite samples. Use... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Chemical extraction and analysis of individual samples and composite samples. 761.292 Section 761.292 Protection of Environment...

  15. 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.

  16. 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/.

  17. 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.

  18. Chemical Analysis of Wastewater from Unconventional Drilling Operations

    OpenAIRE

    Jonathan B. Thacker; Doug D. Carlton; Zacariah L. Hildenbrand; Kadjo, Akinde F.; Schug, Kevin A.

    2015-01-01

    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 ...

  19. 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.

  20. Probing Kinematic Substructures in the Virgo Overdensity using RR Lyrae from Recent Surveys

    Science.gov (United States)

    Farmer, John; Vivas, A. Katherina

    2015-01-01

    The Virgo Overdensity is one of the most intriguing features of the galactic halo, as it covers a large portion of the sky and seems to contain several kinematic substructures. It has been suggested that the remnants of several merger events coexist in this region. RR Lyrae stars are an excellent tracer for disentangling the different components of this overdensity, since they are excellent standard candles; by using both positions and pulsation-corrected radial velocities, we can identify distinct groups in phase space. In the last year, several surveys for RR Lyraes covering the Virgo region have become publicly available. We present analysis of ~300 spectra for ~200 stars in the Virgo overdensity region. This is a significant increase in the known sample of these stars in the region, spanning a significantly larger area of the sky than previous studies. Photometry for these data are taken primarily from the La Silla and Venezuela QUEST variability surveys with spectra provided by SDSS Data Release 10. Radial velocities for type ab RR Lyrae stars are corrected using the new set of template radial velocity curves for Balmer and metallic lines given by Sesar (2012). We combine data from QUEST, the Catalina Sky Survey, LINEAR, and spectroscopic observations from Duffau (2014) to give our full sample. A preliminary analysis reveals confirmation for several known stellar streams.

  1. 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).

  2. 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.

  3. 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.

  4. Discovering Higgs Bosons of the MSSM using Jet Substructure

    Energy Technology Data Exchange (ETDEWEB)

    Kribs, Graham D.; Martin, Adam; Roy, Tuhin S.; Spannowsky, Michael

    2010-06-01

    We present a qualitatively new approach to discover Higgs bosons of the MSSM at the LHC using jet substructure techniques applied to boosted Higgs decays. These techniques are ideally suited to the MSSM, since the lightest Higgs boson overwhelmingly decays to b{bar b} throughout the entire parameter space, while the heavier neutral Higgs bosons, if light enough to be produced in a cascade, also predominantly decay to b{bar b}. The Higgs production we consider arises from superpartner production where superpartners cascade decay into Higgs bosons. We study this mode of Higgs production for several superpartner hierarchies: m{sub {tilde q}},m{sub {tilde g}} > m{sub {tilde W}},{sub {tilde B}} > m{sub h} + {mu}; m{tilde q};m{sub {tilde q}},m{sub {tilde g}} > m{sub {tilde W}},{sub {tilde B}} > m {sub h,H,A} + {mu}; and m{sub {tilde q}},m{sub {tilde g}} > m{sub {tilde W}} > m{sub h} + {mu} with m{sub {tilde B}} {approx} {mu}. In these cascades, the Higgs bosons are boosted, with pT > 200 GeV a large fraction of the time. Since Higgs bosons appear in cascades originating from squarks and/or gluinos, the cross section for events with at least one Higgs boson can be the same order as squark/gluino production. Given 10 fb{sup -1} of 14 TeV LHC data, with m{sub {tilde q}} {approx}< 1 TeV, and one of the above superpartner mass hierarchies, our estimate of S{radical} B of the Higgs signal is sufficiently high that the b{bar b} mode can become the discovery mode of the lightest Higgs boson of the MSSM.

  5. Morphology parameters: substructure identification in X-ray galaxy clusters

    Science.gov (United States)

    Parekh, Viral; van der Heyden, Kurt; Ferrari, Chiara; Angus, Garry; Holwerda, Benne

    2015-03-01

    Context. In recent years multi-wavelength observations have shown the presence of substructures related to merging events in a large proportion of galaxy clusters. Clusters can be roughly grouped into two categories - relaxed and non-relaxed - and a proper characterisation of the dynamical state of these systems is crucial for both astrophysical and cosmological studies. Aims: In this paper we investigate the use of a number of morphological parameters (Gini, M20, concentration, asymmetry, smoothness, ellipticity, and Gini of the second-order moment, GM) introduced to automatically classify clusters as relaxed or dynamically disturbed systems. Methods: We apply our method to a sample of clusters at different redshifts extracted from the Chandra archive and investigate possible correlations between morphological parameters and other X-ray gas properties. Results: We conclude that a combination of the adopted parameters is a very useful tool for properly characterising the X-ray cluster morphology. According to our results, three parameters - Gini, M20, and concentration - are very promising for identifying cluster mergers. The Gini coefficient is a particularly powerful tool, especially at high redshift, because it is independent of the choice of the position of the cluster centre. We find that high Gini (>0.65), high concentration (>1.55), and low M20 (-1.4) characterise dynamically perturbed systems. We also estimate the X-ray cluster morphological parameters in the case of radio loud clusters. Since they are in excellent agreement with previous analyses we confirm that diffuse intracluster radio sources are associated with major mergers. Appendix A is available in electronic form at http://www.aanda.org

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Effect of deep cryogenic treatment on substructure of HS6-5-2 high speed steel

    Directory of Open Access Journals (Sweden)

    J. Jeleńkowski

    2010-11-01

    Full Text Available Purpose: The purpose of this study was using of transmission electron microscopy (TEM and differential scanning calorimetry (DSC in order to reveal the changes in substructure of speed steel made with deep cryogenic treatment (DCT, in comparison with substructure formed by conventional heat treatment for secondary hardness.Design/methodology/approach: The HS6-5-2 high speed steel was heat treated in a conventional mode for secondary hardness or was processed in a mode with use of DCT, with and without next tempering. Transmission electron microscopy and scanning electron microscopy observations were carried out. Studies of thermal stability in range of temperatures from -196 °C to 400 °C were performed using differential scanning calorimetry (DSC.Findings: Observations made with aid of SEM-TEM microscope revealed the presence of high density of globular clusters situated at dislocations, and precipitations of the fine carbide plates, located in twinned crystals of martensite. Thermal analysis (DSC showed an occurrence of higher exothermic effects in specimens treated with use of DCT, than in specimens heat treated conventionally. In steel samples after quenching and DCT the additional exothermic effect was observed. Electron diffraction in TEM studies of these specimens allowed to observe reflections of which indexing exhibited that the precipitated carbide phase has crystallographic structure of B1 type.Research limitations/implications: Extremely high dispersion of carbide phases and a high state of stress that accompanies the stage of precipitation, make difficult the identification of the lattice structure of precipitations, its crystallographic relationships and the degree of coherence with the matrix. Identification of the type of carbides (ε, η, B1, and others and their coherence with matrix become time-consuming. This important issue requires detailed studies using high-resolution microscopes. Conditions of the early stage of the

  12. 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.

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

    OpenAIRE

    RAYMOND E. MARCH; MILA D. LAUSEVIC; TATJANA M. VASILJEVIC

    2000-01-01

    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 di...

  14. 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

  15. Analysis of chemical coal cleaning processes. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1980-06-01

    Six chemical coal cleaning processes were examined. Conceptual designs and costs were prepared for these processes and coal preparation facilities, including physical cleaning and size reduction. Transportation of fine coal in agglomerated and unagglomerated forms was also discussed. Chemical cleaning processes were: Pittsburgh Energy Technology Center, Ledgemont, Ames Laboratory, Jet Propulsion Laboratory (two versions), and Guth Process (KVB). Three of the chemical cleaning processes are similar in concept: PETC, Ledgemont, and Ames. Each of these is based on the reaction of sulfur with pressurized oxygen, with the controlling factor being the partial pressure of oxygen in the reactor. All of the processes appear technically feasible. Economic feasibility is less certain. The recovery of process chemicals is vital to the JPL and Guth processes. All of the processes consume significant amounts of energy in the form of electric power and coal. Energy recovery and increased efficiency are potential areas for study in future more detailed designs. The Guth process (formally designed KVB) appears to be the simplest of the systems evaluated. All of the processes require future engineering to better determine methods for scaling laboratory designs/results to commercial-scale operations. A major area for future engineering is to resolve problems related to handling, feeding, and flow control of the fine and often hot coal.

  16. 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…

  17. 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...

  18. 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...

  19. Association of systemic lupus erythematosus clinical features with European population genetic substructure.

    Directory of Open Access Journals (Sweden)

    Elisa Alonso-Perez

    Full Text Available Systemic Lupus Erythematosus (SLE is an autoimmune disease with a very varied spectrum of clinical manifestations that could be partly determined by genetic factors. We aimed to determine the relationship between prevalence of 11 clinical features and age of disease onset with European population genetic substructure. Data from 1413 patients of European ancestry recruited in nine countries was tested for association with genotypes of top ancestry informative markers. This analysis was done with logistic regression between phenotypes and genotypes or principal components extracted from them. We used a genetic additive model and adjusted for gender and disease duration. Three clinical features showed association with ancestry informative markers: autoantibody production defined as immunologic disorder (P = 6.8×10(-4, oral ulcers (P = 6.9×10(-4 and photosensitivity (P = 0.002. Immunologic disorder was associated with genotypes more common in Southern European ancestries, whereas the opposite trend was observed for photosensitivity. Oral ulcers were specifically more common in patients of Spanish and Portuguese self-reported ancestry. These results should be taken into account in future research and suggest new hypotheses and possible underlying mechanisms to be investigated. A first hypothesis linking photosensitivity with variation in skin pigmentation is suggested.

  20. 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.

  1. 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

  2. Refinement of the sub-structure method for integral transport calculations

    International Nuclear Information System (INIS)

    A new generalization of the interface-current method for coupling two-dimensional heterogeneous assemblies, called sub-structures, has been developed. The method has been designed for fine-structure burn-up calculations in very heterogeneous media of large size. For the calculations the medium is divided into rectangular sub-structures, which can have internal symmetries, containing rectangular and/or cylindrical structure elements, divided into homogeneous zones. A zone-wise flat or linear expansion is used to formulate a direct collision-probability problem within each sub-structure. The sub-structures are coupled by making a piece-wise uniform or linear expansion for the partial currents entering and leaving the sub-structures. The method has also been used to implement an approximate piece-wise isotropic reflexion for two dimensional x-y collision probabilities calculations. The accuracies and computing times achieved are illustrated by one-group fixed source numerical calculations for a typical 7x7 pin PWR assembly as well as for a set of fuel slabs imbedded in water moderator

  3. 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.

  4. 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....

  5. The Matthew Effect in Environmental Science Publication: A Bibliometric Analysis of Chemical Substances in Journal Articles

    OpenAIRE

    Grandjean Philippe; Eriksen Mette L; Ellegaard Ole; Wallin Johan A

    2011-01-01

    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 se...

  6. 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.

  7. Neutron activation analysis for chemical characterization of Brazilian oxo-biodegradable plastics

    International Nuclear Information System (INIS)

    The chemical characterization of oxo-biodegradable plastic bags was performed by neutron activation analysis. The presence of several chemical elements (As, Br, Ca, Co, Cr, Fe, Hf, K, La, Na, Sb, Sc, Ta and Zn) with large variability of mass fractions amongst samples indicates that these plastics receive additives and may have been contaminated during manufacturing process thereby becoming potential environmental pollutants. (author)

  8. Forecasting global developments in the basic chemical industry for environmental policy analysis

    NARCIS (Netherlands)

    Broeren, M.L.M.; Saygin, D.; Patel, M.K.

    2014-01-01

    The chemical sector is the largest industrial energy user, but detailed analysis of its energy use developments lags behind other energy-intensive sectors. A cost-driven forecasting model for basic chemicals production is developed, accounting for regional production costs, demand growth and stock t

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

    International Nuclear Information System (INIS)

    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.

  10. 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.

  11. A New Channel for Detecting Dark Matter Substructure in Galaxies: Gravitational Lens Time Delays

    CERN Document Server

    Keeton, Charles R

    2008-01-01

    We show that dark matter substructure in galaxy-scale halos perturbs the time delays between images in strong gravitational lens systems. The variance of the effect depends on the subhalo mass function, scaling as the product of the substructure mass fraction and a characteristic mass of subhalos (namely /). Time delay perturbations therefore complement gravitational lens flux ratio anomalies and astrometric perturbations by measuring a different moment of the subhalo mass function. Unlike flux ratio anomalies, "time delay millilensing" is unaffected by dust extinction or stellar microlensing in the lens galaxy. Furthermore, we show that time delay ratios are immune to the radial profile degeneracy that usually plagues lens modeling. We lay out a mathematical theory of time delay perturbations and find it to be tractable and attractive. We predict that in "cusp" lenses with close triplets of images, substructure may change the arrival-time order of the images (compared with smooth models). We discuss the poss...

  12. Substructure of hot deformed molybdenum and its influence on the heat resistance

    International Nuclear Information System (INIS)

    Investigated was substructural strengthening of the Mo-0.6% V-0.03%C and Mo-1.2% V-0.03%C alloy, obtained in the result of preliminary deformation: pressing at 1100 deg C and compression in a wide range of temperatures and rates of deformation. Specimens with different subgrain sizes were tested on creep and short-term strength with determination of yield limit σsub(0.2). Substructural strengthening effect depends on relationship of the reduced rates of preliminary deformation to deformation at mechanical tests. Temperature dependence of the petch equation coefficients within 0.4-0.65 Tsub(m) temperature interval was determined. Investigation results were presented in the form of a generalized diagram of substructural strengthening, plotted in T-lgsub(epsilon) coordinates

  13. 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.

  14. 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...

  15. Lepton- and quark substructure at a multi-TeV-collider

    International Nuclear Information System (INIS)

    There is no doubt that a hadron collider with √s approx.= 20 TeV will be an extremely useful machine in studying the substructure of leptons, quarks and weak bosons. If Λsub(h) is of the order of 1 TeV or less, the chances are good to observe substructure effects at the CERN or FNAL colliders or at HERA. However details of an underlying substructure (e.g. the spectrums of excited quarks or leptons) can only be learned with a machine such as the one studied here in which the energies of the hard collisions of the quarks, gluons and/or leptons exceed 1 TeV. (orig./HSI)

  16. Statistical analysis of DNT detection using chemically functionalized microcantilever arrays

    DEFF Research Database (Denmark)

    Bosco, Filippo; Bache, M.; Hwu, E.-T.;

    2012-01-01

    The need for miniaturized and sensitive sensors for explosives detection is increasing in areas such as security and demining. Micrometer sized cantilevers are often used for label-free detection, and have previously been reported to be able to detect explosives. However, only a few measurements...... on the chemically treated surfaces results in significant bending of the cantilevers and in a decrease of their resonant frequencies. We present averaged measurements obtained from up to 72 cantilevers being simultaneously exposed to the same sample. Compared to integrated reference cantilevers with...

  17. Chemical analysis of acoustically levitated drops by Raman spectroscopy.

    Science.gov (United States)

    Tuckermann, Rudolf; Puskar, Ljiljana; Zavabeti, Mahta; Sekine, Ryo; McNaughton, Don

    2009-07-01

    An experimental apparatus combining Raman spectroscopy with acoustic levitation, Raman acoustic levitation spectroscopy (RALS), is investigated in the field of physical and chemical analytics. Whereas acoustic levitation enables the contactless handling of microsized samples, Raman spectroscopy offers the advantage of a noninvasive method without complex sample preparation. After carrying out some systematic tests to probe the sensitivity of the technique to drop size, shape, and position, RALS has been successfully applied in monitoring sample dilution and preconcentration, evaporation, crystallization, an acid-base reaction, and analytes in a surface-enhanced Raman spectroscopy colloidal suspension. PMID:19418043

  18. Chemical risk evaluation, importance of the risk analysis framework uses: Latin America development restrictions

    International Nuclear Information System (INIS)

    The power point presentation is about reach and results of the risk analysis in Venezuela, chemical dangers in food, human damage, injuries , technologies news in fodd development, toxicity, microbiological risk, technical recommendations

  19. A kinetic and equilibrium analysis of silicon carbide chemical vapor deposition on monofilaments

    Science.gov (United States)

    Gokoglu, S. A.; Kuczmarski, M. A.

    1993-01-01

    Chemical kinetics of atmospheric pressure silicon carbide (SiC) chemical vapor deposition (CVD) from dilute silane and propane source gases in hydrogen is numerically analyzed in a cylindrical upflow reactor designed for CVD on monofilaments. The chemical composition of the SiC deposit is assessed both from the calculated total fluxes of carbon and silicon and from chemical equilibrium considerations for the prevailing temperatures and species concentrations at and along the filament surface. The effects of gas and surface chemistry on the evolution of major gas phase species are considered in the analysis.

  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. 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 ...

  2. Chemical analysis of steel (citations from the NTIS Data Base). Report for 1964-Apr 80

    Energy Technology Data Exchange (ETDEWEB)

    Cavagnaro, D.M.

    1980-05-01

    Information is cited on chemical analysis of boron, nitrogen, hydrogen, sulfur, silicon, carbon, oxygen, aluminum, rare earths, and other trace elements in steel. In addition, research on the determination of major elements, including iron, is covered. New techniques and refinement of older techniques, including x-ray fluorescence, spectroscopy, chromatography, activation analysis, and wet chemical methods are also included. (This updated bibliography contains 240 abstracts, 14 of which are new entries to the previous edition.)

  3. ANALYSIS OF THE CHEMICAL COMPOSITION AND MORPHOLOGICAL STRUCTURE OF BANANA PSEUDO-STEM

    OpenAIRE

    Kun Li; Shiyu Fu; Huaiyu Zhan; Yao Zhan; Lucian A. Lucia

    2010-01-01

    An analysis of the chemical composition and anatomical structure of banana pseudo-stem was carried out using Light Microscopy (LM), Scanning Electron Microscopy (SEM), and Confocal Laser Scanning Microscopy (CLSM). The chemical analysis indicated there is a high holocellulose content and low lignin content in banana pseudo-stem compared with some other non-wood fiber resources. These results demonstrate that the banana pseudo-stem has potential value for pulping. In addition, we report for th...

  4. Substructure based modeling of nickel single crystals cycled at low plastic strain amplitudes

    Science.gov (United States)

    Zhou, Dong

    In this dissertation a meso-scale, substructure-based, composite single crystal model is fully developed from the simple uniaxial model to the 3-D finite element method (FEM) model with explicit substructures and further with substructure evolution parameters, to simulate the completely reversed, strain controlled, low plastic strain amplitude cyclic deformation of nickel single crystals. Rate-dependent viscoplasticity and Armstrong-Frederick type kinematic hardening rules are applied to substructures on slip systems in the model to describe the kinematic hardening behavior of crystals. Three explicit substructure components are assumed in the composite single crystal model, namely "loop patches" and "channels" which are aligned in parallel in a "vein matrix," and persistent slip bands (PSBs) connected in series with the vein matrix. A magnetic domain rotation model is presented to describe the reverse magnetostriction of single crystal nickel. Kinematic hardening parameters are obtained by fitting responses to experimental data in the uniaxial model, and the validity of uniaxial assumption is verified in the 3-D FEM model with explicit substructures. With information gathered from experiments, all control parameters in the model including hardening parameters, volume fraction of loop patches and PSBs, and variation of Young's modulus etc. are correlated to cumulative plastic strain and/or plastic strain amplitude; and the whole cyclic deformation history of single crystal nickel at low plastic strain amplitudes is simulated in the uniaxial model. Then these parameters are implanted in the 3-D FEM model to simulate the formation of PSB bands. A resolved shear stress criterion is set to trigger the formation of PSBs, and stress perturbation in the specimen is obtained by several elements assigned with PSB material properties a priori. Displacement increment, plastic strain amplitude control and overall stress-strain monitor and output are carried out in the user

  5. 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

    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...... 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...... and the modular panels with various substructure configurations along with comparison to analytical and numerical results....

  6. 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.

  7. 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.

  8. On mechanism of substructure formation in SmS during isomorphic phase transformations

    International Nuclear Information System (INIS)

    X-ray diffraction study of substructure characteristics of SmS samples subjected to treatment at different temrerature and pressure in media with different viscosity ( graphite, silicon oil) for realization of P-M-P transformations ( p-semiconductor phase, M - high pressure phase) is performed. It is assumed that with M - phase formation P - matrix volume relaxation delays, therefore the new phase particles occupy smaller volume than the initial matrix which causes the M - phase disorientation. The difference between the phase transformation rate and deformation rate under the pressure in media with various viscosity results in arising different substructural characteristics

  9. 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.

  10. 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

    . Updating the reliability of a welded joint can theoretically be done using Bayesian updating. However, for tubular joints in offshore wind turbine substructures when considering a two dimensional crack growth and a failure criterion combining brittle fracture and material strength, the updating is quite...... complex due to the wind turbine loading obtained during operation. This paper solves that updating problem by using the Failure Assessment Diagram as a limit state function. It is discussed how application of the updating procedure can be used for inspection planning for offshore wind turbine...... substructures, and thus also for reducing the required safety factors at the design stage....

  11. 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.

  12. 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.

  13. 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.

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

    DEFF Research Database (Denmark)

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

    2012-01-01

    case, the probabilistic design of the pultrusion process, which has not been considered until now, is performed. The effect of statistical variations in the material (i.e. fiber and resin) and resin kinetic properties, as well as process parameters such as pulling speed and inlet temperature...... on the product quality (degree of cure) are examined by means of Monte Carlo Simulation (MCS) with Latin Hypercube Sampling (LHS) technique. The variations in the activation energy as well as the density of the resin are found to have a strong influence on the centerline degree of cure at the exit whereas......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...

  15. 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.

  16. 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.

  17. 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.

  18. 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. PMID:27646543

  19. 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.

  20. Synthesis and analysis in studies of chemical evolution

    Science.gov (United States)

    Ponnamperuma, C.; Hobish, M. K.; Kobayashi, K.; Hua, L. L.; Senaratne, N.

    1986-01-01

    Studies of the various processes that may have given rise to life on the Earth have demonstrated the appropriateness of an approach that makes use of analysis and synthesis. Analysis of extraterrestrial samples in the form of meteorites has demonstrated the presence of several precursors of biomolecules, most notably a full suite of nucleic acid bases and nucleotides of biological significance. These species were determined after exhaustive extraction of the sample and subsequent analysis using HPLC, GC, MS, and GC-MS. Procedural blanks indicate that these molecules are likely not the result of contamination during the extraction and analysis process. Similar species were found as products of spark discharge experiments in atmospheres thought to mimic primitive Earth conditions. These results indicate that the basic chemistry underlying these syntheses is common, and that life may not be unique to the Earth. Studies underway in the laboratory make use of proton nuclear magnetic resonance spectroscopy as a probe to assess associations between selected amino acids and any of several nucleotides comprising their genetic code and genetic anticode sequences. These studies demonstrate a clear selectivity by the anticode sequences, thus confirming the hydrophobicity studies performed by Lacey et al. These studies further support the contention that life is likely a natural result of the physics and chemistry of the universe.

  1. 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. PMID:27604421

  2. Hydrocarbon analysis using desorption atmospheric pressure chemical ionization

    KAUST Repository

    Jjunju, Fred P M

    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.

  3. 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.

  4. 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

  5. Different Models Used to Interpret Chemical Changes: Analysis of a Curriculum and Its Impact on French Students' Reasoning

    Science.gov (United States)

    Kermen, Isabelle; Meheut, Martine

    2009-01-01

    We present an analysis of the new French curriculum on chemical changes describing the underlying models and highlighting their relations to the empirical level. The authors of the curriculum introduced a distinction between the chemical change of a chemical system and the chemical reactions that account for it. We specify the different roles of…

  6. 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.

  7. 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)

  8. Chemical analysis of outgassing contaminants on spacecraft surfaces

    Science.gov (United States)

    Mcnutt, R. C.

    1973-01-01

    Methods for analyzing and characterizing outgassing contaminants from such materials as RTV 501 potting compound and S 13 G paint are presented. Fractional distillation of a gross distillate from RTV 501 rubber was carried out and the distilled fractions examined as to their ultraviolet and infrared spectra by gas liquid chromatography. A sensitive technique for structural analysis and molecular identification was found to consist of a gas chromatography-mass spectroscopy system, which was determined to be economically unfeasible at present.

  9. Archaeological and chemical analysis of Tell el Yahudiyeh ware

    International Nuclear Information System (INIS)

    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

  10. 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

  11. Microdistribution of phases and substructure of the composite electrolytic self-lubricating copper-molybdenite coating

    International Nuclear Information System (INIS)

    The influence of MoS2 particles on the substructure of a copper matrix was studied, and their location in the composition was established. It is shown that the presence of molybdenite causes a variation in the conditions of electrical crystallization of copper. The optimum composition has been found, which is used as a self-lubricating coating for friction machine parts

  12. 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....

  13. Superficial violation of the Pauli principle due to the possible substructure of electrons

    International Nuclear Information System (INIS)

    Superficial violation of the Pauli principle due to the possible substructure of electrons is discussed in composite models of quarks and leptons. The ratio of the Pauli forbidden atomic transition to the allowed one is estimated to be of order 10-50--10-44 for heavy atoms if the size of the electron is of order 10-17 cm

  14. The electron spectroscopy for chemical analysis microscopy beamline data acquisition system at ELETTRA

    Science.gov (United States)

    Gariazzo, C.; Krempaska, R.; Morrison, G. R.

    1996-07-01

    The electron spectroscopy for chemical analysis (ESCA) microscopy data acquisition system enables the user to control the imaging and spectroscopy modes of operation of the beamline ESCA microscopy at ELETTRA. It allows the user to integrate all experiment, beamline and machine operations in one single environment. The system also provides simple data analysis for both spectra and images data to guide further data acquisition.

  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. 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/.

  17. Embedded Fragments from U.S. Military Personnel—Chemical Analysis and Potential Health Implications

    OpenAIRE

    Centeno, José A.; Duane A. Rogers; Gijsbert B. van der Voet; Elisa Fornero; Lingsu Zhang; Mullick, Florabel G.; Chapman, Gail D.; Olabisi, Ayodele O.; Wagner, Dean J.; Alexander Stojadinovic; Potter, Benjamin K.

    2014-01-01

    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 rega...

  18. Physico Chemical Analysis of Sapota (Manilkara zapota) Coated by Edible Aloe Vera Gel

    OpenAIRE

    N.Padmaja; S. John Don Bosco; J. Sudhakara Rao

    2015-01-01

    The physical and chemical characteristics of the fruit have immense significance as they ultimately affect the quality of processed productsprepared from them. Over ripening of Sapota (Manilkara zapota) fruits at the post-harvest stage usually results in dramatic decline in quality.In the present study, physico chemical analysis (which includes Weight loss, Colour, Texture, TSS, pH, TA and Ascorbic acid content) ofedible Aloe vera gel coated Sapota fruits packed in LDPE and stored at 15 ± 2? ...

  19. Permeability and chemical analysis of aromatic polyamide based membranes exposed to sodium hypochlorite

    OpenAIRE

    Ettori, Axel; Gaudichet-Maurin, Emmanuelle; Schrotter, Jean-Christophe; Aimar, Pierre; Causserand, Christel

    2011-01-01

    In this study, a cross-linked aromatic polyamide based reverse osmosis membrane was exposed to variable sodium hypochlorite ageing conditions (free chlorine concentration, solution pH) and the resulting evolutions of membrane surface chemical and structural properties were monitored. Elemental and surface chemical analysis performed using X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR), showed that chlorine is essentially incorporated on the polyamide...

  20. Analysis of abused drugs by selected ion monitoring: quantitative comparison of electron impact and chemical ionization

    International Nuclear Information System (INIS)

    A comparison was made of the relative sensitivities of electron impact and chemical ionization when used for selected ion monitoring analysis of commonly abused drugs. For most of the drugs examined chemical ionization using ammonia as the reactant gas gave the largest single m/e ion current response per unit weight of sample. However, if maximum sensitivity is desired it is important to evaluate electron impact and chemical ionization with respect to both maximum response and degree of interference from background and endogenous materials

  1. Organics. [Nature and analysis of chemical species in water systems

    Energy Technology Data Exchange (ETDEWEB)

    DeWalle, F.B. (Univ. of Washington, Seattle); Lo, C.; Sung, J.; Kalman, D.; Chian, E.S.K.; Giabbai, M.; Ghosal, M.

    1982-01-01

    This literature review presents an overview of nonspecific methods, followed by group and compound specific methods used in the analysis of detergents, aliphatic and aromatic hydrocarbons, pesticides and herbicides, and in process and industrially related compounds. Many studies are focused on polychlorinated biphenyls (PCB) because of their persistant character in nature even after a substantial decrease in usage. Their presence in sediments is correlated with organic matter and clay owing to their adsorption to these materials. They are also observed in effluents from combustion processes and in sludges from treatment units. Bacteria have been identified that degrade PCBs and give higher rates than the 1-year turnover rate observed in coastal waters. Industrially derived organics have been detected in surface and ground water, drinking water and waste water. Coal conversion processes can lead to releases of toxic nitrogen-containing compounds such as pyridines and sulfur heterocyclics. Included are 8 tables and 242 references. (JMT)

  2. 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. PMID:27222376

  3. 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

  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. Multivariate data analysis for depth resolved chemical classification and quantification of sulfur in SNMS

    Science.gov (United States)

    Sommer, M.; Goschnick, J.

    2005-09-01

    The quantification of elements in quadrupole based SNMS is hampered by superpositions of atomic and cluster signals. Moreover, the conventional SNMS data evaluation employs only atomic signals to determine elemental concentrations, which not allows any chemical specifications of the determined elements. Improvements in the elemental quantification and additional chemical information can be obtained from kinetic energy analysis and the inclusion of molecular signals into mass spectra evaluation. With the help of multivariate data analysis techniques, the combined information is used for the first time for a quantitative and chemically distinctive determination of sulfur. The kinetic energy analysis, used to solve the interference of sulfur with O 2 at masses 32-34 D, turned out to be highly important for the new type of evaluation.

  7. 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. PMID:27311789

  8. 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

  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. 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.

  12. 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....... In the mechanical analysis, the developments of the process induced stresses and distortions during the process are predicted using the already obtained temperature and degree of cure profiles together with the glass transition temperature. The predictions of the transverse transient stresses and distortions...... are found to be similar as compared to the available data in the literature. Using the proposed 3D mechanical analysis, different mechanical behaviour is obtained for the longitudinal stress development as distinct from the stress development in the transverse directions. Even though the matrix material...

  13. 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.

  14. 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

    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 longterm trends for prominent substances and substances considered in need of research......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...... 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...

  15. Application of physico-chemical procedures in the analysis of urinary calculi

    Energy Technology Data Exchange (ETDEWEB)

    Rodgers, A.L.

    1985-01-01

    All physico-chemical techniques used in the analysis of urinary calculi have inherent advantages and limitations. Although x-ray powder diffraction can identify constituents unambiguously, certain minor components can be missed. Infrared spectroscopy is more sensitive but band assignment at low concentrations is difficult. Scanning electron microscopy together with energy dispersive x-ray analysis permits the simultaneous investigation of morphology and chemical microstructure. With the electron microprobe, minor constituents can be detected but tedious sample preparation procedures are required. Transmission electron microscopy is extremely useful in determining constituent inter-relationships and ultrastructure but ultramicrotomy is very difficult. Thermal gravimetric analysis gives quantitative information easily but does not satisfactorily distinguish between struvite and brushite. In an attempt to assess the accuracy of chemical analyses, 62 calculi were investigated applying several chemical tests. Those for MgS , PO4(T ), NHU and uric acid proved highly reliable while that for CaS often yielded an incorrect result. The test for oxalate was totally unsatisfactory. Investigators of stone composition and structure should include x-ray diffraction (or infrared spectroscopy) and scanning electron microscopy as their methods of first choice. In addition, chemical or thermogravimetric analyses should be utilized in an auxiliary capacity.

  16. [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.

  17. Forecasting global developments in the basic chemical industry for environmental policy analysis

    International Nuclear Information System (INIS)

    The chemical sector is the largest industrial energy user, but detailed analysis of its energy use developments lags behind other energy-intensive sectors. A cost-driven forecasting model for basic chemicals production is developed, accounting for regional production costs, demand growth and stock turnover. The model determines the global production capacity placement, implementation of energy-efficient Best Practice Technology (BPT) and global carbon dioxide (CO2) emissions for the period 2010–2030. Subsequently, the effects of energy and climate policies on these parameters are quantified. About 60% of new basic chemical production capacity is projected to be placed in non-OECD regions by 2030 due to low energy prices. While global production increases by 80% between 2010 and 2030, the OECD's production capacity share decreases from 40% to 20% and global emissions increase by 50%. Energy pricing and climate policies are found to reduce 2030 CO2 emissions by 5–15% relative to the baseline developments by increasing BPT implementation. Maximum BPT implementation results in a 25% reduction. Further emission reductions require measures beyond energy-efficient technologies. The model is useful to estimate general trends related to basic chemicals production, but improved data from the chemical sector is required to expand the analysis to additional technologies and chemicals. - Highlights: • We develop a global cost-driven forecasting model for the basic chemical sector. • We study regional production, energy-efficient technology, emissions and policies. • Between 2010 and 2030, 60% of new chemicals capacity is built in non-OECD regions. • Global CO2 emissions rise by 50%, but climate policies may limit this to 30–40%. • Measures beyond energy efficiency are needed to prevent increasing CO2 emissions

  18. Substructure Versus Property-Level Dispersed Modes Calculation

    Science.gov (United States)

    Stewart, Eric C.; Peck, Jeff A.; Bush, T. Jason; Fulcher, Clay W.

    2016-01-01

    This paper calculates the effect of perturbed finite element mass and stiffness values on the eigenvectors and eigenvalues of the finite element model. The structure is perturbed in two ways: at the "subelement" level and at the material property level. In the subelement eigenvalue uncertainty analysis the mass and stiffness of each subelement is perturbed by a factor before being assembled into the global matrices. In the property-level eigenvalue uncertainty analysis all material density and stiffness parameters of the structure are perturbed modified prior to the eigenvalue analysis. The eigenvalue and eigenvector dispersions of each analysis (subelement and property-level) are also calculated using an analytical sensitivity approximation. Two structural models are used to compare these methods: a cantilevered beam model, and a model of the Space Launch System. For each structural model it is shown how well the analytical sensitivity modes approximate the exact modes when the uncertainties are applied at the subelement level and at the property level.

  19. Chemical structure of wood charcoal by infrared spectroscopy and multivariate analysis.

    Science.gov (United States)

    Labbé, Nicole; Harper, David; Rials, Timothy; Elder, Thomas

    2006-05-17

    In this work, the effect of temperature on charcoal structure and chemical composition is investigated for four tree species. Wood charcoal carbonized at various temperatures is analyzed by mid infrared spectroscopy coupled with multivariate analysis and by thermogravimetric analysis to characterize the chemical composition during the carbonization process. The multivariate models of charcoal were able to distinguish between species and wood thermal treatments, revealing that the characteristics of the wood charcoal depend not only on the wood species, but also on the carbonization temperature. This work demonstrates the potential of mid infrared spectroscopy in the whiskey industry, from the identification and classification of the wood species for the mellowing process to the chemical characterization of the barrels after the toasting and charring process. PMID:19127715

  20. 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.

  1. Chemical Speciation Analysis and Environmental Behaviour of 127I and 129I

    DEFF Research Database (Denmark)

    Hansen, Violeta

    2011-01-01

    H. The absorption capacity of iodate is low and reduces quickly when its concentration increases. Compared with activated charcoal, DEAE 32 cellulose showed a lower adsorption capacity of inorganic and organic iodine species. Adsorption of iodine species onto activated charcoal and DEAE 32 cellulose from seawater......This thesis deals with chemical speciation analysis and behaviour of the anthropogenic radioisotope 129I as well as stable iodine 127I in environmental samples such as freshwater, seawater, soils, sediments and seaweed. The behaviour and chemical speciation of iodine (127I and 129I...... been present in the biosphere for a relatively short time, may not show the same behaviour as the stable 127I isotope. The present study illustrates this. Chemical speciation analysis of 129I and 127I as iodide, iodate and total inorganic iodine in seawater samples from the Baltic Proper, Skagerrak...

  2. Chemical Analysis of Exhaled Human Breath Using High Resolution Mm-Wave Rotational Spectra

    Science.gov (United States)

    Guo, Tianle; Branco, Daniela; Thomas, Jessica; Medvedev, Ivan; Dolson, David; Nam, Hyun-Joo; O, Kenneth

    2014-06-01

    High resolution rotational spectroscopy enables chemical sensors that are both sensitive and highly specific, which is well suited for analysis of expired human breath. We have previously reported on detection of breath ethanol, methanol, acetone, and acetaldehyde using THz sensors. This paper will outline our present efforts in this area, with specific focus on our ongoing quest to correlate levels of blood glucose with concentrations of a few breath chemicals known to be affected by elevated blood sugar levels. Prospects, challenges and future plans will be outlined and discussed. Fosnight, A.M., B.L. Moran, and I.R. Medvedev, Chemical analysis of exhaled human breath using a terahertz spectroscopic approach. Applied Physics Letters, 2013. 103(13): p. 133703-5.

  3. 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.

  4. Development of pure component property models for chemical product-process design and analysis

    DEFF Research Database (Denmark)

    Hukkerikar, Amol Shivajirao

    Property prediction models based on the group-contribution+ (GC+) approach have been developed to provide reliable predictions of pure component properties together with uncertainties of predicted property values which is much needed information in performing chemical product and process design...... into ProPred®, a property estimation toolbox of Integrated Computer Aided System, ICAS®, developed at CAPEC, DTU. Finally, a methodology for performing sensitivity analysis of process design due to uncertainties of property estimates is presented. This methodology allows the user to evaluate the effects...... and analysis of sustainable chemical processes. For developing property models, a systematic methodology for property modeling and uncertainty analysis is employed. The methodology includes a parameter estimation step to determine parameters of the property model and an uncertainty analysis step to establish...

  5. 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. PMID:18093731

  6. 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.

  7. Study on High-Temperature Flow Behavior and Substructure and Texture Evolution of TA15 Titanium Alloy

    Science.gov (United States)

    Li, Ping; Ding, Yong-gen; Yao, Peng-peng; Xue, Ke-min; Li, Cheng-ming

    2016-06-01

    The hot deformation behaviors of TA15 titanium alloy were investigated by isothermal compression experiments on Gleeble-3500 thermal simulation machine. The results indicate that the flow stress curves of TA15 titanium alloy in the two-phase region are dynamic recrystallization (DRX) type while in the β single-phase region are main dynamic recovery (DRV) type. The evolution of microstructure and substructure (grain boundary misorientation and dislocation) under different process parameters were studied by using electron backscattered diffraction (EBSD) and transmission electron microscopy (TEM). Microstructure analysis shows that a large number of recrystallized α grains and martensite α' phase appear as the strain rate decreases under the condition of two-phase region. However, lath martensite microstructure is replaced by lamellar martensite microstructure at low strain rate in β single-phase region. Grain boundary misorientation analysis indicates that low angle boundaries (LABs) transform into high angle boundaries (HABs) sufficiently by reducing strain rate or increasing deformation temperature. Texture evolution analysis shows that the degree of preferred orientation after deformation weakens and the intensity of texture decreases with strain rate increasing in the two-phase region. However, more potential slip systems are activated in the β single-phase region. TEM analysis suggests that microscopic deformation bands with high density of parallel arrangement dislocations evolve into subboundaries or boundaries. As the deformation continues, dislocations are accumulated around the subboundaries, and they promote the transformation of subgrains with LABs into new grains with HABs.

  8. 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 ...

  9. 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,…

  10. Supramolecular chemical shift reagents inducing conformational transitions: NMR analysis of carbohydrate homooligomer mixtures

    DEFF Research Database (Denmark)

    Beeren, Sophie; Meier, Sebastian

    2015-01-01

    We introduce the concept of supramolecular chemical shift reagents as a tool to improve signal resolution for the NMR analysis of homooligomers. Non-covalent interactions with the shift reagent can constrain otherwise flexible analytes inducing a conformational transition that results in signal...

  11. Chemical analysis during lifecycle of munition; from Cradle-to-Grave (Poster)

    NARCIS (Netherlands)

    Hulst, M. van; Duvalois, W.; Klerk, W.P.C. de

    2009-01-01

    Chemical analysis is one of the most important parts within an energetic material lifecycle. It starts with the qualification and quantification of the raw materials and/or the intermediate materials used for the manufacturing of the final product. When the product is finished there is quality contr

  12. Chemical analysis during lifecycle of munition; from Cradle-to-Grave (Poster)

    OpenAIRE

    van Hulst, M.; Duvalois, W.; Klerk, W.P.C. de

    2009-01-01

    Chemical analysis is one of the most important parts within an energetic material lifecycle. It starts with the qualification and quantification of the raw materials and/or the intermediate materials used for the manufacturing of the final product. When the product is finished there is quality control and finally after functioning or demilitarisation components will end-up in the environment.

  13. 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

  14. 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

  15. Quantitative analysis of chemical elements in single cells using nuclear microprobe and nano-probe

    International Nuclear Information System (INIS)

    The study of the role of trace elements at cellular level requires the use of state-of-the-art analytical tools that could achieve enough sensitivity and spatial resolution. We developed a new methodology for the accurate quantification of chemical element distribution in single cells based on a combination of ion beam analysis techniques STIM, PIXE and RBS. The quantification procedure relies on the development of a STIM data analysis software (Paparamborde). Validity of this methodology and limits are discussed here. The method allows the quantification of trace elements (μg/g) with a 19.8 % uncertainty in cellular compartments with mass below 0.1 ng. The main limit of the method lies in the poor number of samples that can be analyzed, due to long irradiation times required and limited access to ion beam analysis facilities. This is the reason why we developed a database for cellular chemical composition capitalization (BDC4). BDC4 has been designed in order to use cellular chemical composition as a tracer for biological activities and is expected to provide in the future reference chemical compositions for any cellular type or compartment. Application of the STIM-PIXE-RBS methodology to the study of nuclear toxicology of cobalt compounds is presented here showing that STIM analysis is absolutely needed when organic mass loss appears during PIXE-RBS irradiation. (author)

  16. PHYSICO-CHEMICAL ANALYSIS OF FRESH AND FERMENTED FRUIT JUICES PROBIOTICATED WITH LACTOBACILLUS CASEI

    OpenAIRE

    Bathal Vijaya Kumar; Mannepula Sreedharamurthy; Obulam Vijaya Sarathi Reddy

    2013-01-01

    The objective of this study was to find out the suitability of different fruit juices for probiotication by using Lactobacillus casei. Phyto-chemical analysis of different fruit juices (mango, sapota, grape and cantaloupe) were carried out using the standard methods. Carbohydrates, flavoniods, tannins, glycosides were present and alkaloids and saponins were absent in all the above fruit juices. Further analysis by TLC and DPPH methods indicated good antioxidant activity in all the fruit juice...

  17. On the graph and systems analysis of reversible chemical reaction networks with mass action kinetics

    OpenAIRE

    Rao, Shodhan; Jayawardhana, Bayu; der Schaft, Arjan van

    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 can characterize the space of equilibrium points and provide simple dynamical analysis on the state space modulo the space of equilibrium points.

  18. 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.

  19. Dynamics of flexible multibody systems using loaded-interface substructure synthesis approach

    Science.gov (United States)

    Lim, S. P.; Liu, A. Q.; Liew, K. M.

    1994-12-01

    A simple numerical method for dynamic simulation of multibody systems consisting of rigid and flexible bodies is presented. This paper investigates the multibody systems with inertia properties of flexible components that undergo large angular rotations. The equation of motion is derived using the finite element/Lagrange formulation. A substructure synthesis method is employed to reduce the number of elastic coordinates of the multibody system. A modification to the traditional boundary conditions at the free interface has been incorporated. An example is given to demonstrate the accuracy of the computed results which obtained from this new free interface method. This example has been analyzed using the present free interface method and also the finite element method in order to compare the efficient and accuracy of both methods. It was shown that the new free interface substructure synthesis method provides accurate results even with lesser elements.

  20. 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.

  1. Hadronic Calorimeter Shower Size: Challenges and Opportunities for Jet Substructure in the Superboosted Regime

    CERN Document Server

    Bressler, Shikma; Kats, Yevgeny; Lee, Seung J; Perez, Gilad

    2015-01-01

    Hadrons have finite interaction size with dense material, a basic feature common to known forms of hadronic calorimeters (HCAL). We argue that substructure variables cannot use HCAL information to access the microscopic nature of jets narrower than the hadronic shower size, which we call superboosted massive jets. It implies that roughly 15% of their transverse energy profile remains inaccessible due to the presence of long-lived neutral hadrons. This unreachable part of the jet substructure is also subject to order-one fluctuations. We demonstrate that the effects of the fluctuations are not reduced when a global correction to jet variables is applied. The above leads to fundamental limitations in the ability to extract intrinsic information from jets in the superboosted regime. The neutral fraction of a jet is correlated with its flavor. This leads to an interesting and possibly useful difference between superboosted W/Z/h/t jets and their corresponding backgrounds. The QCD jets that form the background to ...

  2. 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).

  3. 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 ...

  4. 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...

  5. 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...

  6. 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 .

  7. Future perspectives for jet substructure techniques in LHC Run2 (ATLAS+CMS)

    CERN Document Server

    Mozer, Matthias U

    2014-01-01

    The increased pile-up expected in the LHC Run 2 and High Luminosity LHC creates a challenging environment for utilizing the jet-substructure techniques which were successfully demonstrated in the LHC Run 1. The ATLAS and CMS experiments are studying a range of methods to improve jet reconstruction to increase the resilience against high pile-up. Promising results are obtained in simulation but await validation on the first Run 2 data.

  8. The importance of the cosmic web and halo substructure for power spectra

    Science.gov (United States)

    Pace, Francesco; Manera, Marc; Bacon, David J.; Crittenden, Robert; Percival, Will J.

    2015-11-01

    In this work, we study the relevance of the cosmic web and substructures on the matter and lensing power spectra measured from halo mock catalogues extracted from the N-body simulations. Since N-body simulations are computationally expensive, it is common to use faster methods that approximate the dark matter field as a set of haloes. In this approximation, we replace mass concentrations in N-body simulations by a spherically symmetric Navarro-Frenk-White halo density profile. We also consider the full mass field as the sum of two distinct fields: dark matter haloes (M > 9 × 1012 M⊙ h-1) and particles not included into haloes. Mock haloes reproduce well the matter power spectrum, but underestimate the lensing power spectrum on large and small scales. For sources at zs = 1 the lensing power spectrum is underestimated by up to 40 per cent at ℓ ≈ 104 with respect to the simulated haloes. The large-scale effect can be alleviated by combining the mock catalogue with the dark matter distribution outside the haloes. In addition, to evaluate the contribution of substructures we have smeared out the intrahalo substructures in an N-body simulation while keeping the halo density profiles unchanged. For the matter power spectrum the effect of this smoothing is only of the order of 5 per cent, but for lensing substructures and ellipticity are much more important: for ℓ ≈ 104 modifications to the internal structure contribute to 30 per cent of the total spectrum. These findings have important implications in the way mock catalogues have to be created, suggesting that some approximate methods currently used for galaxy surveys will be inadequate for future weak lensing surveys.

  9. Response to: DNA identification by pedigree likelihood ratio accommodating population substructure and mutations

    Directory of Open Access Journals (Sweden)

    Egeland Thore

    2011-03-01

    Full Text Available Abstract Mutation models are important in many areas of genetics including forensics. This letter criticizes the model of the paper 'DNA identification by pedigree likelihood ratio accommodating population substructure and mutations' by Ge et al. (2010. Furthermore, we argue that the paper in some cases misrepresents previously published papers. Please see related letter: http://www.investigativegenetics.com/content/2/1/8.

  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. 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.

  13. Effect of fine particles on the hydraulic behavior of interlayer soil in railway substructure

    OpenAIRE

    DUONG, Trong Vinh; Cui, Yu-Jun; Tang, Anh Minh; Dupla, Jean Claude; Calon, Nicolas

    2014-01-01

    The conventional railway substructure in France was built by emplacing ballast directly on subgrade. Over years of operation, the interpenetration of ballast and subgrade created a soil layer between them. Under different conditions, this naturally formed layer, namely interlayer, can contain different quantities of fine particles, becoming more or less sensitive to changes in water content. As the water content changes are governed by the hydraulic behavior of the interlayer soil, assessing ...

  14. 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.

  15. 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.

  16. 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.

  17. Influence of substructure on mechanical properties of austenitic alloys deformed by warm rolling

    Energy Technology Data Exchange (ETDEWEB)

    Izotov, V.I.; Virakhovskij, Yu.G.; Marusenko, S.Ya. (Tsentral' nyj Nauchno-Issledovatel' skij Inst. Chernoj Metallurgii, Moscow (USSR). Inst. Metallovedeniya i Fiziki Metallov)

    1983-08-01

    A connection between a substructure and mechanical properties of some iron base austenitic alloys, differing in carbon, and carbide-forming element contents and in stacking fault energies after warm rolling, is studied. It is shown that the maximum value of yield strength after cold hardening is achieved in the alloy with low stacking fault energy due to the formation of high density of thin twins.

  18. Influence of substructure on mechanical properties of austenitic alloys deformed by warm rolling

    International Nuclear Information System (INIS)

    A connection between a substructure and mechanical properties of some iron base austenitic alloys, differing in carbon, and carbide-forming element contents and in stacking fault energies after warm rolling, is studied. It is shown that the maximum value of yield strength after cold hardening is achieved in the alloy with low stacking fault energy due to the formation of high density of thin twins

  19. 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.

  20. Simulation of the effects of interstitial content and temperature on texture and substructure evolution of commercially pure titanium during ECAP

    Science.gov (United States)

    Guo, X.; Seefeldt, M.

    2015-04-01

    The effects of interstitial content and temperature on texture and substructure evolution of commercially pure titanium during the first pass of equal channel angular pressing were investigated. Different values of critical resolved shear stresses were proposed for different interstitial contents and processing temperatures. Simulation results show that texture was affected by both interstitial element and temperature. Also, in substructure simulation, the cell size was affected by interstitial content, while the fragment size was more dependent on temperature change.

  1. Calibration of TDR Test Probe for Measuring Moisture in the Body of the Railway Substructure and its Subgrade

    Science.gov (United States)

    Dobeš, Peter

    2015-12-01

    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.

  2. 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.

  3. 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.

  4. 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 m......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...... prediction of the frequency dependent foundation stiffness. The generalized stiffness matrix of the substructure is found to be in a reasonable agreement with the corresponding values based on a Guyan reduction scheme. In addition, experimental findings based on traditional and operational modal techniques...

  5. 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.

  6. Component Mode Synthesis Using Undeformed Interface Coupling Modes to Connect Soft and Stiff Substructures

    Directory of Open Access Journals (Sweden)

    Eskil Lindberg

    2013-01-01

    Full Text Available Classical component mode synthesis methods for reduction are usually limited by the size and compatibility of the coupling interfaces. A component mode synthesis approach with constrained coupling interfaces is presented for vibro-acoustic modelling. The coupling interfaces are constrained to six displacement degrees of freedom. These degrees of freedom represent rigid interface translations and rotations respectively, retaining an undeformed interface shape. This formulation is proposed for structures with coupling between softer and stiffer substructures in which the displacement is chiefly governed by the stiffer substructure. Such may be the case for the rubber-bushing/linking arm assembly in a vehicle suspension system. The presented approach has the potential to significantly reduce the modelling size of such structures, compared with classical component mode synthesis which would be limited by the modelling size of the interfaces. The approach also eliminates problems of nonconforming meshes in the interfaces since only translation directions, rotation axes and the rotation point need to be common for the coupled substructures. Simulation results show that the approach can be used for modelling of systems that resemble a vehicle suspension. It is shown for a test case that adequate engineering accuracy can be achieved when the stiffness properties of the connecting parts are within the expected range of rubber connected to steel.

  7. Factorization for groomed jet substructure beyond the next-to-leading logarithm

    Science.gov (United States)

    Frye, Christopher; Larkoski, Andrew J.; Schwartz, Matthew D.; Yan, Kai

    2016-07-01

    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 fact, soft drop allows us to define this fraction precisely. The factorization theorem also explains why soft drop observables are less sensitive to hadronization than their ungroomed counterparts. Using the factorization theorem, we resum the soft drop jet mass to next-to-next-to-leading logarithmic accuracy. This requires calculating some clustering effects that are closely related to corresponding effects found in jet veto calculations. We match our resummed calculation to fixed order results for both e + e - → dijets and pp → Z + j events, producing the first jet substructure predictions (groomed or ungroomed) to this accuracy for the LHC.

  8. A New Channel for Detecting Dark Matter Substructure in Galaxies: Gravitational Lens Time Delays

    Science.gov (United States)

    Keeton, Charles R.; Moustakas, Leonidas A.

    2009-07-01

    We show that dark matter substructure in galaxy-scale halos perturbs the time delays between images in strong gravitational lens systems. The variance of the effect depends on the subhalo mass function, scaling as the product of the substructure mass fraction, and a characteristic mass of subhalos (namely langm 2rang/langmrang). Time delay perturbations therefore complement gravitational lens flux ratio anomalies and astrometric perturbations by measuring a different moment of the subhalo mass function. Unlike flux ratio anomalies, "time delay millilensing" is unaffected by dust extinction or stellar microlensing in the lens galaxy. Furthermore, we show that time delay ratios are immune to the radial profile degeneracy that usually plagues lens modeling. We lay out a mathematical theory of time delay perturbations and find it to be tractable and attractive. We predict that in "cusp" lenses with close triplets of images, substructure may change the arrival-time order of the images (compared with smooth models). We discuss the possibility that this effect has already been observed in RX J1131-1231.

  9. Spectroscopy of Bright QUEST RR Lyrae Stars: Velocity Substructures toward Virgo

    CERN Document Server

    Vivas, A Katherina; Zinn, Robert; Winnick, Rebeccah; Duffau, Sonia; Mateu, Cecilia

    2008-01-01

    Using a sample of 43 bright (V<16.1, distance <13 kpc) RR Lyrae stars (RRLS) from the QUEST survey with spectroscopic radial velocities and metallicities, we find that several separate halo substructures contribute to the Virgo overdensity (VOD). While there is little evidence for halo substructure in the spatial distribution of these stars, their distribution in radial velocity reveals two moving groups. These results are reinforced when the sample is combined with a sample of blue horizontal branch stars that were identified in the SDSS, and the combined sample provides evidence for one additional moving group. These groups correspond to peaks in the radial velocity distribution of a sample of F type main-sequence stars that was recently observed in the same directon by SEGUE, although in one case the RRLS and F star groups may not lie at the same distance. One of the new substructures has a very narrow range in metallicity, which is more consistent with it being the debris from a destroyed globular c...

  10. RAG-3D: a search tool for RNA 3D substructures.

    Science.gov (United States)

    Zahran, Mai; Sevim Bayrak, Cigdem; Elmetwaly, Shereef; Schlick, Tamar

    2015-10-30

    To address many challenges in RNA structure/function prediction, the characterization of RNA's modular architectural units is required. Using the RNA-As-Graphs (RAG) database, we have previously explored the existence of secondary structure (2D) submotifs within larger RNA structures. Here we present RAG-3D-a dataset of RNA tertiary (3D) structures and substructures plus a web-based search tool-designed to exploit graph representations of RNAs for the goal of searching for similar 3D structural fragments. The objects in RAG-3D consist of 3D structures translated into 3D graphs, cataloged based on the connectivity between their secondary structure elements. Each graph is additionally described in terms of its subgraph building blocks. The RAG-3D search tool then compares a query RNA 3D structure to those in the database to obtain structurally similar structures and substructures. This comparison reveals conserved 3D RNA features and thus may suggest functional connections. Though RNA search programs based on similarity in sequence, 2D, and/or 3D structural elements are available, our graph-based search tool may be advantageous for illuminating similarities that are not obvious; using motifs rather than sequence space also reduces search times considerably. Ultimately, such substructuring could be useful for RNA 3D structure prediction, structure/function inference and inverse folding. PMID:26304547

  11. Extracting chemical information from plane wave calculations by a 3D 'fuzzy atoms' analysis

    Science.gov (United States)

    Bakó, I.; Stirling, A.; Seitsonen, A. P.; Mayer, I.

    2013-03-01

    Bond order and valence indices have been calculated by the method of the three-dimensional 'fuzzy atoms' analysis, using the numerical molecular orbitals obtained from plane wave DFT calculations, i.e., without introducing any external atom-centered functions. Weight functions of both Hirshfeld and Becke types have been applied. The results are rather close to the similar 'fuzzy atoms' ones obtained by using atom-centered basis sets and agree well with the chemical expectations, stressing the power of the genuine chemical concepts.

  12. ANALYSIS OF CHEMICAL COMPOUNDS OF AGARWOOD OIL FROM DIFFERENT SPECIES BY GAS CHROMATOGRAPHY MASS SPECTROMETRY (GCMS)

    OpenAIRE

    Yumi Zuhanis Has-Yun Hashim; Nur Izzah Ismail; Phirdaous Abbas

    2014-01-01

    ABSTRACT: Agarwood oil is a highly prized type of oil due to its unique aroma. The oil is extracted from the fragrant resin found in the agarwood tree (trunk).  The unique aroma and quality of agarwood resin and oil are contributed by the presence of certain chemical compounds. In this work, analysis and comparison of the chemical compounds of agarwood oil from A. malaccensis, A. sub-integra and a mixture of both were conducted.  The essential oils were diluted in hexane (5%) prior to gas chr...

  13. 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...... through a computer-aided modelling framework, which allows the use of systematic simulation strategies for various types of design/analysis problems. The main features of the model and the modelling framework are highlighted through two case studies: (a) the purification of a reaction mixture containing...

  14. Impact analysis of different chemical pre-treatments on colour of apple discs during drying process

    OpenAIRE

    Magdić, D.; 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...

  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. 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.

  17. 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.

  18. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction

    International Nuclear Information System (INIS)

    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−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

  19. Genetic admixture and population substructure in Guanacaste Costa Rica.

    Directory of Open Access Journals (Sweden)

    Zhaoming Wang

    Full Text Available The population of Costa Rica (CR represents an admixture of major continental populations. An investigation of the CR population structure would provide an important foundation for mapping genetic variants underlying common diseases and traits. We conducted an analysis of 1,301 women from the Guanacaste region of CR using 27,904 single nucleotide polymorphisms (SNPs genotyped on a custom Illumina InfiniumII iSelect chip. The program STRUCTURE was used to compare the CR Guanacaste sample with four continental reference samples, including HapMap Europeans (CEU, East Asians (JPT+CHB, West African Yoruba (YRI, as well as Native Americans (NA from the Illumina iControl database. Our results show that the CR Guanacaste sample comprises a three-way admixture estimated to be 43% European, 38% Native American and 15% West African. An estimated 4% residual Asian ancestry may be within the error range. Results from principal components analysis reveal a correlation between genetic and geographic distance. The magnitude of linkage disequilibrium (LD measured by the number of tagging SNPs required to cover the same region in the genome in the CR Guanacaste sample appeared to be weaker than that observed in CEU, JPT+CHB and NA reference samples but stronger than that of the HapMap YRI sample. Based on the clustering pattern observed in both STRUCTURE and principal components analysis, two subpopulations were identified that differ by approximately 20% in LD block size averaged over all LD blocks identified by Haploview. We also show in a simulated association study conducted within the two subpopulations, that the failure to account for population stratification (PS could lead to a noticeable inflation in the false positive rate. However, we further demonstrate that existing PS adjustment approaches can reduce the inflation to an acceptable level for gene discovery.

  20. Observations on the morphology and chemical analysis of medullary granules in chinchilla hair. Research letters

    Energy Technology Data Exchange (ETDEWEB)

    Keogh, H.J. (South African Inst. for Medical Research, Johannesburg); Haylett, T. (Council for Scientific and Industrial Research, Pretoria (South Africa). National Chemical Research Lab.)

    1983-02-01

    The ultrastructure of the medullary granules of white and grey chinchilla hair was investigated by scanning electron microscopy and chemical analysis in an attempt to clarify their structure and function. Atomic absorption spectroscopy and amino acid analysis showed them to be composed of melanin. The sample preparation for scanning electron microscopy is discussed. The metal content was qualitatively established by X-ray fluorescence spectrometry and quantitatively determined on a Varian Techtron model AAs atomic absorption spectrophotometer. Amino acid analysis of the granule, was carried out on a Beckman 121 amino acid analyser. Information is provided on the amino acid composition of the medullary granules as well as its metal content.

  1. Observations on the morphology and chemical analysis of medullary granules in chinchilla hair

    International Nuclear Information System (INIS)

    The ultrastructure of the medullary granules of white and grey chinchilla hair was investigated by scanning electron microscopy and chemical analysis in an attempt to clarify their structure and function. Atomic absorption spectroscopy and amino acid analysis showed them to be composed of melanin. The sample preparation for scanning electron microscopy is discussed. The metal content was qualitatively established by X-ray fluorescence spectrometry and quantitatively determined on a Varian Techtron model AAs atomic absorption spectrophotometer. Amino acid analysis of the granule, was carried out on a Beckman 121 amino acid analyser. Information is provided on the amino acid composition of the medullary granules as well as its metal content

  2. LSENS, a general chemical kinetics and sensitivity analysis code for gas-phase reactions: User's guide

    Science.gov (United States)

    Radhakrishnan, Krishnan; Bittker, David A.

    1993-01-01

    A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.

  3. Low Cost Long Distance Detector for Explosives and Chemical Analysis by IEC Application

    Directory of Open Access Journals (Sweden)

    George H. Miley

    2005-01-01

    Full Text Available A radiation source for detecting specific chemicals at several meter distances even behind walls, car doors or other barriers is the application of Million electron Volts (MeV neutrons from nuclear fusion reactions at such low intensities to avoid any danger for human bodies. The chemical analysis consists in the neutron activation of nuclei emitting then gamma radiation of lines very specific for the excited nuclei. The neutron generation by the Inertial Electrostatic Confinement (IEC had been developed to a level where very low cost neutron generators in mass production may be developed with a power supply from a normal AC plug-in or a battery. For specific chemicals e.g. the ratio of nitrogen against other elements used in all explosives, the selection of few specific gamma lines for the detectors may be of sufficiently low cost in the case of mass production.

  4. Physico Chemical Analysis of Sapota (Manilkara zapota Coated by Edible Aloe Vera Gel

    Directory of Open Access Journals (Sweden)

    N. Padmaja

    2015-03-01

    Full Text Available The physical and chemical characteristics of the fruit have immense significance as they ultimately affect the quality of processed productsprepared from them. Over ripening of Sapota (Manilkara zapota fruits at the post-harvest stage usually results in dramatic decline in quality.In the present study, physico chemical analysis (which includes Weight loss, Colour, Texture, TSS, pH, TA and Ascorbic acid content ofedible Aloe vera gel coated Sapota fruits packed in LDPE and stored at 15 ± 2? were studied at regular intervals of 5 days i.e., 0th,5th, 10th,15thand 20th days. The dip treatment of Aloe vera gel coating 1:2, 7 minutes had best retained the physico chemical characteristics than the othertreatments performed and was found to be the most effective treatment in maintaining the fruit quality attributes along with the shelf lifeextension of about 20 days.

  5. 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....... 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...... by ones and zeroes only. These results illustrate the application of multivariate analysis as an effective strategy for improving the quality of frozen fish products. (C) 1998 Society of Chemical Industry...

  6. 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}.

  7. 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.

  8. Combined Micro-chemical and Micro-structural Analysis of New Minerals Representing Extreme Conditions

    Science.gov (United States)

    Ma, C.; Tschauner, O. D.

    2015-12-01

    Recent improvements in micro-chemical analysis in combination with novel tools for micrometer-scale structural analysis of minerals from synchrotron X-ray diffraction open a pathway towards studies of mineral paragenesis that were previously not or barely accessible. Often mineral assemblies that represent extreme conditions also pose extreme challenges to analysis: very small size scale, complex matrix, minor amounts of material. Examples of such extreme, but also quite relevant environments are: a) High pressure shock-metamorphic minerals in meteorites and terrestrial impact sites, b) inclusions in diamonds from the deep mantle, c) ultrarefractory phases in Ca-Al-inlcusions from the solar nebula, d) presolar condensates. We show how a combination of synchrotron-based structural and semi-quantitative chemical techniques, with electron-microscopy based high-resolution imaging and fully quantitative chemical analysis and qualitative structural identification establish a powerful tool for discovery and characterization of important and interesting new minerals on micron- to submicron size scale.

  9. Chemical and physical analysis of core materials for advanced high temperature reactors with process heat applications

    International Nuclear Information System (INIS)

    Various chemical and physical methods for the analysis of structural materials have been developed in the research programmes for advanced high temperature reactors. These methods are discussed using as examples the structural materials of the reactor core - the fuel elements consisting of coated particles in a graphite matrix and the structural graphite. Emphasis is given to the methods of chemical analysis. The composition of fuel kernels is investigated using chemical analysis methods to determine the heavy metals content (uranium, plutonium, thorium and metallic impurity elements) and the amount of non-metallic constituents. The properties of the pyrocarbon and silicon carbide coatings of fuel elements are investigated using specially developed physiochemical methods. Regarding the irradiation behaviour of coated particles and fuel elements, methods have been developed for examining specimens in hot cells following exposures under reactor operating conditions, to supplement the measurements of in-reactor performance. For the structural graphite, the determination of impurities is important because certain impurities may cause pitting corrosion during irradiation. The localized analysis of very low impurity concentrations is carried out using spectrochemical d.c. arc excitation, local laser and inductively coupled plasma methods. (orig.)

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Genetic substructure of Kuwaiti population reveals migration history.

    Science.gov (United States)

    Alsmadi, Osama; Thareja, Gaurav; Alkayal, Fadi; Rajagopalan, Ramakrishnan; John, Sumi Elsa; Hebbar, Prashantha; Behbehani, Kazem; Thanaraj, Thangavel Alphonse

    2013-01-01

    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 of Africa

  16. 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

  17. 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.

  18. THz-Raman: accessing molecular structure with Raman spectroscopy for enhanced chemical identification, analysis, and monitoring

    Science.gov (United States)

    Heyler, Randy A.; Carriere, James T. A.; Havermeyer, Frank

    2013-05-01

    Structural analysis via spectroscopic measurement of rotational and vibrational modes is of increasing interest for many applications, since these spectra can reveal unique and important structural and behavioral information about a wide range of materials. However these modes correspond to very low frequency (~5cm-1 - 200cm-1, or 150 GHz-6 THz) emissions, which have been traditionally difficult and/or expensive to access through conventional Raman and Terahertz spectroscopy techniques. We report on a new, inexpensive, and highly efficient approach to gathering ultra-low-frequency Stokes and anti-Stokes Raman spectra (referred to as "THz-Raman") on a broad range of materials, opening potential new applications and analytical tools for chemical and trace detection, identification, and forensics analysis. Results are presented on explosives, pharmaceuticals, and common elements that show strong THz-Raman spectra, leading to clear discrimination of polymorphs, and improved sensitivity and reliability for chemical identification.

  19. Problem Based Learning (PBL: Analysis of Continuous Stirred Tank Chemical Reactors with a Process Control Approach

    Directory of Open Access Journals (Sweden)

    Regalado-Méndez Alejandro

    2010-10-01

    Full Text Available This work is focused on a project that integrates the curriculum such as thermodynamic, chemical reactorengineering, linear algebra, differential equations and computer programming. The purpose is thatstudents implement the most knowledge and tools to analyse the stirred tank chemical reactor as a simpledynamic system. When the students finished this practice they should have learned about analysis ofdynamic system through bifurcation analysis, hysteresis phenomena, find equilibrium points, stabilitytype, and phase portrait. Once the steps were accomplished, we concluded that the purpose wassatisfactorily reached with an increment in creative ability. The student showed a bigger interesting inthis practice, since they worked in group. The most important fact is that the percentage of failure amongstudents was 10%. Finally, using alternative teaching-learning process improves the Mexican systemeducation.

  20. 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.

  1. Quantitative analysis of abused drugs in physiological fluids by gas chromatography/chemical ionization mass spectrometry

    International Nuclear Information System (INIS)

    Methods have been developed for quantitative analysis of commonly abused drugs in physiological fluids using gas chromatography/chemical ionization mass spectrometry. The methods are being evaluated in volunteer analytical and toxicological laboratories, and analytical manuals describing the methods are being prepared. The specific drug and metabolites included in this program are: Δ9-tetrahydrocannabinol, methadone, phencyclidine, methaqualone, morphine, amphetamine, methamphetamine, mescaline, 2,5-dimethoxy-4-methyl amphetamine, cocaine, benzoylecgonine, diazepam, and N-desmethyldiazepam. The current analytical methods utilize relatively conventional instrumentation and procedures, and are capable of measuring drug concentrations as low as 1 ng/ml. Various newer techniques such as sample clean-up by high performance liquid chromatography, separation by glass capillary chromatography, and ionization by negative ion chemical ionization are being investigated with respect to their potential for achieving higher sensitivity and specificity, as well as their ability to facilitate simultaneous analysis of more than one drug and metabolite. (Auth.)

  2. 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 is...... microcrystalline cellulose together with magnesium stearate as excipients were used as model materials in the compacts. The UV imaging based drug and excipient distribution was in good agreement with hyperspectral NIR imaging. The UV wavelength region can be utilized in distinguishing between glibenclamide and...

  3. Quality assessment of mized fruit squash: physico-chemical analysis, senory evaluation and storage studies

    OpenAIRE

    Jothi, J.S.; Karmoker, P.; Sarower, K.

    2014-01-01

    Fruits and vegetables belong to an essential class of foods that supply human diet with nutritive requirements including vitamins and minerals which are essential for normal body health and function. The study was carried out to determine the physico-chemical analysis and sensory qualities of mixed fruit squash. Carrot (Drocus carota), papaya (Carica papaya) and banana (Musa sapientum) juice were standardized to produce mixed squash which was stored for 9 weeks in sterilized glass bottles at ...

  4. 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.

  5. "A Note on New Product Project Selection Model: Empirical Analysis in Chemical Industry" (in Japanese)

    OpenAIRE

    Kenichi Kuwashima; Junichi Tomita

    2001-01-01

    By focusing its attention on one particular scoring method that is used to evaluate R&D projects, this paper seeks to specify empirically the factors that discriminate successful projects from failed projects in the Japanese chemical industry. Our statistical analysis revealed that when projects are evaluated in this industry, three factors, marketability, technology, and synergistic potential, tend to be valued by practitioners approximately in a 3:2:1 ratio. Although the project evaluations...

  6. Patterns of innovation and organizational demography in emerging sustainable fields: an analysis of the chemical sector.

    OpenAIRE

    Marianna Epicoco

    2014-01-01

    This paper examines the eco-innovation dynamics in the chemical sector by analyzing Sustainable Chemistry (SC) technologies and the organizations that generated those technologies. First, we build an original dataset of patents and investigate trends emerging from patent statistics. Second, by using a clustering algorithm for the analysis of citation networks, we identify the main clusters of innovations that are driving the evolution of the field and analyze the demography of involved organi...

  7. Quality system of the Chemical Analysis Laboratory to fulfill the requirements with Certification Organizations

    International Nuclear Information System (INIS)

    In the present work was described the Quality System established in the Chemical Analysis Department to fulfill with the Organization requirements, personnel, measurement equipment, calibration, working procedures, etc. to get official acknowledgment by the National Assurance System for Testing laboratories, dependent of the General Standards Direction. There are described the available resources, the performance and control of each of one principal points of the system. (Author)

  8. Fourier-Domain Analysis of Hydriding Kinetics Using Pneumato-Chemical Impedance Spectroscopy

    OpenAIRE

    Millet, P.; C. Decaux; R. Ngameni; Guymont, M.

    2007-01-01

    Analysis of phase transformation processes observed in hydrogen absorbing materials (pure metals, alloys, or compounds) is still a matter of active research. Using pneumato-chemical impedance spectroscopy (PIS), it is now possible to analyze the mechanism of hydriding reactions induced by the gas phase. Experimental impedance diagrams, measured on activated LaNi5 in single- and two-phase domains, are reported in this paper. It is shown that their shape is mostly affected by the slope of the i...

  9. Evaluation of Three Flow Injection Analysis Methods for the Determination of Chemical Oxygen Demand

    OpenAIRE

    Korenaga, Takashi; Moriwake, Tosio; Takahashi, Teruo

    1984-01-01

    Three methods for determining chemical oxygen demand (COD) by means of flow injection analysis (FIA) with potassium permanganate, potassium dichromate, or cerium(IV) sulfate as oxidant, developed in this laboratory, are described from the point of view of their operating properties. The permanganate method is the most sensitive and common, but forms manganese(IV) oxide precipitate which blocks the FIA lines and connectors. Addition of phosphoric acid in the reagent system is, however, effecti...

  10. PHYSICO CHEMICAL ANALYSIS OF PANCHAVAKTRA RAS: A HERBO-MINERAL FORMULATION

    OpenAIRE

    Bandari Srinivasulu; P Bhadra Dev; P H C Murthy

    2013-01-01

    Panchavaktra Ras is a rational combination of Rasadravyas and Kasthaushadhis prescribed in the management of Amavata. Panchavaktra rasa has been taken into consideration for its Pharmaceutical standardization through Standard Operative procedures. In pharmaceutical study, the drug has been prepared in 3 batches adopting Khalviya Rasayana method and physico chemical analysis was carried out on these batches. This formulation was analysed by using Inductively Coupled Plasma with Optical Emissio...

  11. 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...

  12. Measurement of Residual Flexibility for Substructures Having Prominent Flexible Interfaces

    Science.gov (United States)

    Tinker, Michael L.; Bookout, Paul S.

    1994-01-01

    structure in both test and analysis. Measured and predicted residual functions are compared, and regions of poor data in the measured curves are described. It is found that for accurate residual measurements, frequency response functions having prominent stiffness lines in the acceleration/force format are needed. The lack of such stiffness lines increases measurement errors. Interface drive point frequency respose functions for shuttle orbiter payloads exhibit dominant stiffness lines, making the residual test approach a good candidate for payload modal tests when constrained tests are inappropriate. Difficulties in extracting a residual flexibility value from noisy test data are discussed. It is shown that use of a weighted second order least-squares curve fit of the measured residual function allows identification of residual flexibility that compares very well with predictions for the simple structure. This approach also provides an estimate of second order residual mass effects.

  13. 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.

  14. 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.

  15. Hyphenation of sequential- and flow injection analysis with FTIR-spectroscopy for chemical analysis in aqueous solutions

    Science.gov (United States)

    Lendl, B.; Schindler, R.; Kellner, R.

    1998-06-01

    A survey of the principles of sequential (SIA)-and flow injection analysis (FIA) systems with FTIR spectroscopic detection is presented to introduce these hyphenations as powerful techniques for performing chemical analysis in aqueous solution. The strength of FIA/SIA-FTIR systems lies in the possibility to perform highly reproducible and automated sample manipulations such as sample clean-up and/or chemical reactions prior to spectrum acquisition. It is shown that the hyphenation of FIA/SIA systems with an FTIR spectrometer enhances the problem solving capabilities of the FTIR spectrometer as also parameters which can not be measured directly (e.g. enzyme activities) can be determined. On the other hand application of FTIR spectroscopic detection in FIA or SIA is also of advantage as it allows to shorten conventional analysis procedures (e.g. sucrose or phosphate analysis) or to establish and apply a multivariate calibration model for simultaneous determinations (e.g. glucose, fructose and sucrose analysis). In addition to these examples two recent instrumental developments in miniaturized FIA/SIA-FTIR systems, a μ-Flow through cell based on IR fiber optics and a micromachined SI-enzyme reactor are presented in this paper.

  16. Physical chemical analysis of marine sediment cementation from the Gulf of Guinea

    Science.gov (United States)

    Liu, Xianfeng; Hammad, Tammam; Saiyouri, Nadia; Hattab, Mahdia

    2012-09-01

    This study aims at investigating the cementation of marine sediments from the Gulf of Guinea by using physicochemical analysis. In order to highlight the presence of cementation in the sediments, three conventional consolidation tests were conducted on intact and remoulded samples. Mercury intrusion porosimetry analyses were then carried out on the specimens taken from samples after consolidation tests. Several physicochemical experimental techniques were used to analyze these cementations, such as cation exchange capacity analysis, batch test, scanning electron microscope imaging coupled with EDS chemical analysis, and thermal analysis. The results seem to indicate that the cementation of these sediments is predominated by the presence of smectite gel between clay aggregates (clusters). Finally, a conceptual sediment microstructural model is proposed to describe the cementation.

  17. 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...

  18. A chemical profiling strategy for semi-quantitative analysis of flavonoids in Ginkgo extracts.

    Science.gov (United States)

    Yang, Jing; Wang, An-Qi; Li, Xue-Jing; Fan, Xue; Yin, Shan-Shan; Lan, Ke

    2016-05-10

    Flavonoids analysis in herbal products is challenged by their vast chemical diversity. This work aimed to develop a chemical profiling strategy for the semi-quantification of flavonoids using extracts of Ginkgo biloba L. (EGB) as an example. The strategy was based on the principle that flavonoids in EGB have an almost equivalent molecular absorption coefficient at a fixed wavelength. As a result, the molecular-contents of flavonoids were able to be semi-quantitatively determined by the molecular-concentration calibration curves of common standards and recalculated as the mass-contents with the characterized molecular weight (MW). Twenty batches of EGB were subjected to HPLC-UV/DAD/MS fingerprinting analysis to test the feasibility and reliability of this strategy. The flavonoid peaks were distinguished from the other peaks with principle component analysis and Pearson correlation analysis of the normalized UV spectrometric dataset. Each flavonoid peak was subsequently tentatively identified by the MS data to ascertain their MW. It was highlighted that the flavonoids absorption at Band-II (240-280 nm) was more suitable for the semi-quantification purpose because of the less variation compared to that at Band-I (300-380 nm). The semi-quantification was therefore conducted at 254 nm. Beyond the qualitative comparison results acquired by common chemical profiling techniques, the semi-quantitative approach presented the detailed compositional information of flavonoids in EGB and demonstrated how the adulteration of one batch was achieved. The developed strategy was believed to be useful for the advanced analysis of herbal extracts with a high flavonoid content without laborious identification and isolation of individual components. PMID:26907698

  19. 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.

  20. Analysis of Chemical Constituents in Wuzi-Yanzong-Wan by UPLC-ESI-LTQ-Orbitrap-MS.

    Science.gov (United States)

    Zou, Dixin; Wang, Jinfeng; Zhang, Bo; Xie, Suhua; Wang, Qing; Xu, Kexin; Lin, Ruichao

    2015-01-01

    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. PMID:26633334

  1. On substructuring algorithms and solution techniques for the numerical approximation of partial differential equations

    Science.gov (United States)

    Gunzburger, M. D.; Nicolaides, R. A.

    1986-01-01

    Substructuring methods are in common use in mechanics problems where typically the associated linear systems of algebraic equations are positive definite. Here these methods are extended to problems which lead to nonpositive definite, nonsymmetric matrices. The extension is based on an algorithm which carries out the block Gauss elimination procedure without the need for interchanges even when a pivot matrix is singular. Examples are provided wherein the method is used in connection with finite element solutions of the stationary Stokes equations and the Helmholtz equation, and dual methods for second-order elliptic equations.

  2. 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

  3. Various double component mode synthesis and sub-structuring methods for dynamic mixed FEM

    OpenAIRE

    Garambois, Pierre; Besset, Sébastien; Jézéquel, Louis

    2015-01-01

    International audience Mixed Finite Element Model Component Mode Synthesis (CMS) a b s t r a c t This paper presents various sub-structuring and component mode synthesis (CMS) reduction methods for dynamic mixed displacement-stress FEM. The idea is to imagine a new way of reducing a mixed FEM, by splitting the reduction of the displacement and the stress parameters and adapting primal existing modal reduction methods to each field of the mixed model. In this way, we can choose, for each su...

  4. The importance of the cosmic web and halo substructure for power spectra

    OpenAIRE

    Pace, Francesco; Manera, Marc; Bacon, David J.; Crittenden, Robert; Percival, Will J.

    2015-01-01

    In this work we study the relevance of the cosmic web and substructures on the matter and lensing power spectra measured from halo mock catalogues extracted from the N-body simulations. Since N-body simulations are computationally expensive, it is common to use faster methods that approximate the dark matter field as a set of halos. In this approximation, we replace mass concentrations in N-body simulations by a spherically symmetric Navarro-Frenk-White halo density profile. We also consider ...

  5. Structural and Substructural Properties of the Zinc and Cadmium Chalcogenides Thin Films (a Review

    Directory of Open Access Journals (Sweden)

    C.J. Panchal

    2011-01-01

    Full Text Available In this paper, the structural properties of the zinc and cadmium chalcogenide thin films are considered. The influence of the structural defects such as grain boundaries, dislocations, native point defects, etc., on the optical and electrical properties of the thin films was studied. The methods of the II-VI thin films deposition are described. The influence on the sub-structural properties (phase compositions, texture, grain size, stacking faults concentration, micro deformation levels, and coherent domain size of the thin films grown by the close-spaced vacuum evaporation method was analyzed. The growth conditions of the thin films with optimized parameters have been determined.

  6. 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

  7. Embedded Fragments from U.S. Military Personnel—Chemical Analysis and Potential Health Implications

    Science.gov (United States)

    Centeno, José A.; Rogers, Duane A.; van der Voet, Gijsbert B.; Fornero, Elisa; Zhang, Lingsu; Mullick, Florabel G.; Chapman, Gail D.; Olabisi, Ayodele O.; Wagner, Dean J.; Stojadinovic, Alexander; Potter, Benjamin K.

    2014-01-01

    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

  8. Chemical composition dispersion in bi-metallic nanoparticles: semi-automated analysis using HAADF-STEM

    Energy Technology Data Exchange (ETDEWEB)

    Epicier, T., E-mail: thierry.epicier@insa-lyon.fr [INSA-Lyon, MATEIS CNRS UMR5510, Bat. Blaise Pascal (France); Sato, K. [Institute for Materials Research, Tohoku University, Material Processing and Characterization Division (Japan); Tournus, F. [Universite Lyon 1, LPMCN, UMR 5586 CNRS and Universite de Lyon (France); Konno, T. [Institute for Materials Research, Tohoku University, Material Processing and Characterization Division (Japan)

    2012-09-15

    We present a method using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) to determine the chemical composition of bi-metallic nanoparticles. This method, which can be applied in a semi-automated way, allows large scale analysis with a statistical number of particles (several hundreds) in a short time. Once a calibration curve has been obtained, e.g., using energy-dispersive X-ray spectroscopy (EDX) measurements on a few particles, the HAADF integrated intensity of each particle can indeed be directly related to its chemical composition. After a theoretical description, this approach is applied to the case of iron-palladium nanoparticles (expected to be nearly stoichiometric) with a mean size of 8.3 nm. It will be shown that an accurate chemical composition histogram is obtained, i.e., the Fe content has been determined to be 49.0 at.% with a dispersion of 10.4 %. HAADF-STEM analysis represents a powerful alternative to fastidious single particle EDX measurements, for the compositional dispersion in alloy nanoparticles.

  9. Application of quantum dots as analytical tools in automated chemical analysis: A review

    Energy Technology Data Exchange (ETDEWEB)

    Frigerio, Christian; Ribeiro, David S.M.; Rodrigues, S. Sofia M.; Abreu, Vera L.R.G.; Barbosa, Joao A.C.; Prior, Joao A.V.; Marques, Karine L. [REQUIMTE, Laboratory of Applied Chemistry, Department of Chemical Sciences, Faculty of Pharmacy of Porto University, Rua Jorge Viterbo Ferreira, 228, 4050-313 Porto (Portugal); Santos, Joao L.M., E-mail: joaolms@ff.up.pt [REQUIMTE, Laboratory of Applied Chemistry, Department of Chemical Sciences, Faculty of Pharmacy of Porto University, Rua Jorge Viterbo Ferreira, 228, 4050-313 Porto (Portugal)

    2012-07-20

    Highlights: Black-Right-Pointing-Pointer Review on quantum dots application in automated chemical analysis. Black-Right-Pointing-Pointer Automation by using flow-based techniques. Black-Right-Pointing-Pointer Quantum dots in liquid chromatography and capillary electrophoresis. Black-Right-Pointing-Pointer Detection by fluorescence and chemiluminescence. Black-Right-Pointing-Pointer Electrochemiluminescence and radical generation. - Abstract: Colloidal semiconductor nanocrystals or quantum dots (QDs) are one of the most relevant developments in the fast-growing world of nanotechnology. Initially proposed as luminescent biological labels, they are finding new important fields of application in analytical chemistry, where their photoluminescent properties have been exploited in environmental monitoring, pharmaceutical and clinical analysis and food quality control. Despite the enormous variety of applications that have been developed, the automation of QDs-based analytical methodologies by resorting to automation tools such as continuous flow analysis and related techniques, which would allow to take advantage of particular features of the nanocrystals such as the versatile surface chemistry and ligand binding ability, the aptitude to generate reactive species, the possibility of encapsulation in different materials while retaining native luminescence providing the means for the implementation of renewable chemosensors or even the utilisation of more drastic and even stability impairing reaction conditions, is hitherto very limited. In this review, we provide insights into the analytical potential of quantum dots focusing on prospects of their utilisation in automated flow-based and flow-related approaches and the future outlook of QDs applications in chemical analysis.

  10. Comparing chemical analysis with literature studies to identify micropollutants in a catchment of Copenhagen (DK)

    DEFF Research Database (Denmark)

    Lützhøft, Hans-Christian Holten; Birch, Heidi; Eriksson, Eva;

    2011-01-01

    In the year 2000 the European Union implemented the European Water Framework Directive of which the overall aim is to maintain or obtain good ecological and chemical status of European near coastal waters, lakes, rivers, streams, groundwater as well as artificial water bodies as docks and canals...... (EU, 2000). It is also required to establish inventories of sources to pollution, to design and perform monitoring programs as well as to outline strategies to reduce emissions if the environmental quality standards are exceeded. The aim of this study was to compare chemical analysis performed...... on urban surface runoff originating from a well defined catchment of Copenhagen (Denmark) with an inventory of potential pollution sources for the same catchment. The selected catchment covers an area with roads, a shopping centre, a parking lot, office buildings, a gymnasium and some restaurants...

  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. 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.

  13. Reaction path analysis of sodium-water chemical reaction field using laser diagnostics

    International Nuclear Information System (INIS)

    In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. Therefore, the study on sodium-water chemical reactions is of importance for security reasons. This study aims to clarify the gas phase sodium-water reaction path and reaction products. Na, Na2, H2O, and reaction products in the counter-flow sodium-water reaction field were measured using laser diagnostics such as Raman scattering and photo-fragmentation. The main product in the sodium-water reaction was determined to be NaOH and its reaction path was discussed using Na-H2O elementally reaction analysis. (author)

  14. Instrumental neutron activation analysis applied to the chemical composition of steel

    International Nuclear Information System (INIS)

    In the technological application of steel, the knowledge of its chemical composition is of fundamental importance as it is directly related to various properties, such as, mechanical properties, corrosion resistance, temperability and others. Instrumental Neutron Activation Analysis, INAA, is an appropriate technique in the evaluation of the chemical composition of steel and other metallurgical materials due to the possibility of simultaneous determination of a great number of elements without the inconvenience of sample dissolution. Element determination is achieved with good accuracy and precision for major and minor constituents as well as for trace elements. In this paper, INAA was used in the determination of As, Co, Cu, Mn, Mo, V and W in steel and iron samples and in certified reference materials. The obtained accuracy and precision were less than 10% for most of the elements confirming the possibility of its use in the study of metallic samples and in the certification of new reference materials. (author)

  15. Analysis of solar chemical processes for hydrogen production from water splitting thermochemical cycles

    International Nuclear Information System (INIS)

    This paper presents a process analysis of ZnO/Zn, Fe3O4/FeO and Fe2O3/Fe3O4 thermochemical cycles as potential high efficiency, large scale and environmentally attractive routes to produce hydrogen by concentrated solar energy. Mass and energy balances allowed estimation of the efficiency of solar thermal energy to hydrogen conversion for current process data, accounting for chemical conversion limitations. Then, the process was optimized by taking into account possible improvements in chemical conversion and heat recoveries. Coupling of the thermochemical process with a solar tower plant providing concentrated solar energy was considered to scale up the system. An economic assessment gave a hydrogen production cost of 7.98$ kg-1 and 14.75$ kg-1 of H2 for, respectively a 55 MWth and 11 MWth solar tower plant operating 40 years

  16. 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.

  17. The geographical origin and chemical composition in phellinus mushrooms measured by instrumental neutron activation analysis

    International Nuclear Information System (INIS)

    In order to expand the utilization of phellinus mushrooms as a dietary supplement, we attempted to evaluate the chemical composition by measuring its inorganic elemental content with the aid of instrumental neutron activation analysis (INAA). Twenty seven phellinus mushrooms samples were collected from Korea, Cambodia, and Vietnam. A total of 28 elements were analyzed in the phellinus mushroom samples using the INAA. The concentrations of Ca, K, and Mg are much higher than those of other elements in phellinus mushroom samples. The sum of determined elemental concentration in Cambodia samples was about 2-6 times higher than those in Korea and Vietnam samples, respectively. Based on our measurement data, we attempted to discriminate the geographical origin using principal components analysis (PCA) and linear discriminant analysis (LDA). The geographical origins of all samples were clearly classified with correct classification rate of 100%. (author)

  18. 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...

  19. 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.

  20. 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.